Serpent Manual

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Serpent – a Continuous-energy Monte Carlo
Reactor Physics Burnup Calculation Code
June 18, 2015

User’s Manual
Jaakko Leppänen

Preface
This documentation is a User’s Manual for the Serpent continuous-energy Monte Carlo reactor physics burnup calculation code.1 Code development started at the VTT Technical Research Centre of Finland in 2004, under the working title “Probabilistic Scattering Game”,
or PSG. This name is used in all publications dated before the pre-release of Serpent 1.0.0
in October 2008. The name was changed to due to the various ambiguities related to the
acronym. The code is still under development and this manual covers only the main functionality available in June 18.
The official Serpent website is found at http://montecarlo.vtt.fi. Support and minor updates
in the source code are currently handled via the Serpent mailing list, in which all users are
encouraged to join by sending e-mail to: Jaakko.Leppanen@vtt.fi. Any feedback is appreciated, including comments, bug reports, interesting results and ideas and suggestions for future development. A discussion forum for Serpent users is found at http://ttuki.vtt.fi/serpent.
For a quick start, experienced Monte Carlo code users are instructed to view the lattice input
examples in Chapter 11 starting on page 133.

1

For referencing the code, use either the website: “http://montecarlo.vtt.fi” or this report: “J. Leppänen. Serpent – a Continuous-energy Monte Carlo Reactor Physics Burnup Calculation Code. VTT Technical Research
Centre of Finland. (June 18, 2015)”

2

Contents
Preface

2

1 Installing and Running Serpent

8

1.1

Compiling Serpent . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

8

1.2

Running the Code . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

9

1.3

Parallel Calculation . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

10

1.4

Nuclear Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

11

1.4.1

Data Types . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

11

1.4.2

Directory File . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

12

1.4.3

Radioactive Decay and Fission Yield Data . . . . . . . . . . . . . .

13

2 Input

15

2.1

General . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

15

2.2

Input format . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

15

2.2.1

Input cards . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

15

2.2.2

Comment lines and sections . . . . . . . . . . . . . . . . . . . . .

16

2.2.3

Dividing the input into several files . . . . . . . . . . . . . . . . . .

16

2.2.4

Input errors . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

17

Units . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

18

2.3

3 Geometry

19

3.1

The Universe-based Geometry Model in Serpent . . . . . . . . . . . . . . .

19

3.2

Surface Definitions . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

19

3.2.1

Surface types . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

20

3.2.2

Positive and negative surface sides . . . . . . . . . . . . . . . . . .

21

3.2.3

Surface examples . . . . . . . . . . . . . . . . . . . . . . . . . . .

22

Cell Definitions . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

24

3.3

3

CONTENTS

4

3.3.1

Cell types . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

24

3.3.2

Cell examples . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

25

3.4

Fuel pin definitions . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

27

3.5

Nests . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

27

3.6

Universes and Lattices . . . . . . . . . . . . . . . . . . . . . . . . . . . .

28

3.6.1

Universe transformations and rotations . . . . . . . . . . . . . . . .

28

3.6.2

Lattices . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

29

3.6.3

Universe and lattice examples . . . . . . . . . . . . . . . . . . . .

32

3.7

Repeated Boundary Conditions . . . . . . . . . . . . . . . . . . . . . . . .

36

3.8

HTGR geometry types . . . . . . . . . . . . . . . . . . . . . . . . . . . .

39

3.8.1

Implicit particle fuel model . . . . . . . . . . . . . . . . . . . . . .

39

3.8.2

Explicit particle / pebble bed fuel model . . . . . . . . . . . . . . .

40

3.8.3

HTGR geometry examples . . . . . . . . . . . . . . . . . . . . . .

41

Geometry plotter . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

42

3.9

4 Materials
4.1

47

Material definitions . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

47

4.1.1

Nuclides . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

47

4.1.2

Material cards . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

48

4.2

Thermal scattering libraries . . . . . . . . . . . . . . . . . . . . . . . . . .

49

4.3

Doppler broadening . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

50

4.4

Material examples . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

50

5 Options

53

5.1

General . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

53

5.2

Neutron Population and Criticality Cycles . . . . . . . . . . . . . . . . . .

53

5.3

Energy grid reconstruction . . . . . . . . . . . . . . . . . . . . . . . . . .

55

5.4

Library File Paths . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

57

5.5

Unresolved resonance data . . . . . . . . . . . . . . . . . . . . . . . . . .

57

5.6

Doppler-Broadening Rejection Correction (DBRC) . . . . . . . . . . . . .

59

5.7

Boundary conditions . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

59

5.8

Source rate normalization . . . . . . . . . . . . . . . . . . . . . . . . . . .

61

5.9

Group constant generation . . . . . . . . . . . . . . . . . . . . . . . . . .

64

CONTENTS

5

5.10 Full-core power distributions . . . . . . . . . . . . . . . . . . . . . . . . .

66

5.11 Delta-tracking options . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

66

5.12 Cross section data plotter . . . . . . . . . . . . . . . . . . . . . . . . . . .

68

5.13 Fission source entropy . . . . . . . . . . . . . . . . . . . . . . . . . . . .

68

5.14 Soluble absorber . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

69

5.15 Iteration . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

70

5.16 Fundamental mode calculation . . . . . . . . . . . . . . . . . . . . . . . .

71

5.17 Equilibrium xenon calculation . . . . . . . . . . . . . . . . . . . . . . . .

72

5.18 Miscellaneous parameters . . . . . . . . . . . . . . . . . . . . . . . . . . .

73

6 Output

77

6.1

Main output file . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

77

6.1.1

Version, title and date . . . . . . . . . . . . . . . . . . . . . . . . .

78

6.1.2

Run parameters . . . . . . . . . . . . . . . . . . . . . . . . . . . .

78

6.1.3

File paths . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

79

6.1.4

Delta-tracking parameters . . . . . . . . . . . . . . . . . . . . . .

79

6.1.5

Run statistics . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

80

6.1.6

Energy grid parameters . . . . . . . . . . . . . . . . . . . . . . . .

80

6.1.7

Unresolved resonance data . . . . . . . . . . . . . . . . . . . . . .

81

6.1.8

Nuclides and reaction channels . . . . . . . . . . . . . . . . . . . .

81

6.1.9

Reaction mode counters . . . . . . . . . . . . . . . . . . . . . . .

82

6.1.10 Slowing-down and thermalization . . . . . . . . . . . . . . . . . .

82

6.1.11 Parameters for burnup calculation . . . . . . . . . . . . . . . . . .

83

6.1.12 Fission source entropies . . . . . . . . . . . . . . . . . . . . . . .

83

6.1.13 Fission source center . . . . . . . . . . . . . . . . . . . . . . . . .

84

6.1.14 Soluble absorber . . . . . . . . . . . . . . . . . . . . . . . . . . .

84

6.1.15 Iteration . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

84

6.1.16 Equilibrium Xe-135 calculation . . . . . . . . . . . . . . . . . . .

84

6.1.17 Criticality eigenvalues . . . . . . . . . . . . . . . . . . . . . . . .

85

6.1.18 Normalization . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

86

6.1.19 Point-kinetic parameters . . . . . . . . . . . . . . . . . . . . . . .

87

6.1.20 Six-factor formula . . . . . . . . . . . . . . . . . . . . . . . . . .

87

CONTENTS

6.2

6

6.1.21 Delayed neutron parameters . . . . . . . . . . . . . . . . . . . . .

87

6.1.22 Parameters for group constant generation . . . . . . . . . . . . . .

88

6.1.23 Few-group cross sections . . . . . . . . . . . . . . . . . . . . . . .

88

6.1.24 Fission product poison cross sections . . . . . . . . . . . . . . . . .

89

6.1.25 Fission spectra . . . . . . . . . . . . . . . . . . . . . . . . . . . .

90

6.1.26 Group-transfer probabilities and cross sections . . . . . . . . . . .

90

6.1.27 Diffusion parameters . . . . . . . . . . . . . . . . . . . . . . . . .

90

6.1.28 Pn scattering cross sections . . . . . . . . . . . . . . . . . . . . . .

91

6.1.29 P1 diffusion parameters . . . . . . . . . . . . . . . . . . . . . . . .

91

6.1.30 B1 fundamental mode calculation . . . . . . . . . . . . . . . . . .

92

6.1.31 Assembly discontinuity factors . . . . . . . . . . . . . . . . . . . .

93

6.1.32 Power distributions in lattices . . . . . . . . . . . . . . . . . . . . .

93

History output . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

94

7 Detectors
7.1

95

Detector Input . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

95

7.1.1

Setting the Response Function . . . . . . . . . . . . . . . . . . . .

96

7.1.2

Setting the Energy Domain . . . . . . . . . . . . . . . . . . . . . .

99

7.1.3

Setting the Spatial Domain . . . . . . . . . . . . . . . . . . . . . .

101

7.1.4

Surface Current Detectors . . . . . . . . . . . . . . . . . . . . . .

104

7.2

Detector output . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

105

7.3

Detectors in Burnup Calculation . . . . . . . . . . . . . . . . . . . . . . .

107

8 Burnup calculation

108

8.1

General . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

108

8.2

Depleted materials . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

109

8.3

Irradiation history . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

110

8.4

Options for Burnup Calculation . . . . . . . . . . . . . . . . . . . . . . . .

111

8.4.1

Library File Paths . . . . . . . . . . . . . . . . . . . . . . . . . . .

111

8.4.2

Normalization . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

112

8.4.3

Solution of Depletion Equations . . . . . . . . . . . . . . . . . . .

113

8.4.4

Calculation of Transmutation Cross Sections . . . . . . . . . . . .

113

CONTENTS

7

8.4.5

Cut-offs . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

114

8.4.6

Nuclide Inventory . . . . . . . . . . . . . . . . . . . . . . . . . . .

114

8.4.7

Additional Output . . . . . . . . . . . . . . . . . . . . . . . . . . .

115

8.4.8

Decay heat production in multiple precursor groups . . . . . . . . .

115

8.5

Output in independent mode . . . . . . . . . . . . . . . . . . . . . . . . .

116

8.6

Output in coupled mode . . . . . . . . . . . . . . . . . . . . . . . . . . . .

117

8.7

Burnup calculation examples . . . . . . . . . . . . . . . . . . . . . . . . .

117

8.7.1

Material and lattice examples . . . . . . . . . . . . . . . . . . . . .

117

8.7.2

Irradiation history examples . . . . . . . . . . . . . . . . . . . . .

121

9 External Source Mode

125

9.1

General . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

125

9.2

Source definition . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

126

9.2.1

Setting the Spatial Distribution . . . . . . . . . . . . . . . . . . . .

126

9.2.2

Setting the Directional Distribution . . . . . . . . . . . . . . . . . .

128

9.2.3

Setting the Energy Distribution . . . . . . . . . . . . . . . . . . . .

128

9.2.4

Source files . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

129

Source Examples . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

129

9.3

10 Reaction rate mesh plotter

131

10.1 Mesh input . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

131

10.2 Mesh output . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

132

11 Complete Input Examples

133

11.1 Quick start . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

133

11.1.1 VVER-440 lattice calculation . . . . . . . . . . . . . . . . . . . . .

134

11.1.2 BWR lattice calculation . . . . . . . . . . . . . . . . . . . . . . . .

137

11.1.3 CANDU lattice calculation . . . . . . . . . . . . . . . . . . . . . .

142

11.1.4 Mixed UOX/MOX PWR lattice calculation . . . . . . . . . . . . .

145

11.2 Burnup calculation examples . . . . . . . . . . . . . . . . . . . . . . . . .

150

11.2.1 Pin-cell burnup calculation . . . . . . . . . . . . . . . . . . . . . .

150

11.2.2 PWR assembly burnup calculation . . . . . . . . . . . . . . . . . .

153

Bibliography

162

Chapter 1
Installing and Running Serpent
1.1

Compiling Serpent

The Serpent code is written in standard ANSI-C language. The code is mainly developed
in the Linux operating system, but it has also been compiled and tested in MAC OS X and
some UNIX machines.1 The Monte Carlo method is a computing-intensive calculation technique and raw computing power has a direct impact on the overall calculation time. It should
be taken into account that the unionized energy grid format used in Serpent requires more
computer memory compared to other continuous-energy Monte Carlo codes. One gigabyte
of RAM should be sufficient for steady-state calculations, but a minimum of 3 Gb is recommended for burnup calculation.
The source code is compiled simply by running the GNU Make utility.2 The Makefile provides for detailed instructions and various options for different platforms. Serpent uses the
GD open source graphics library [1] for producing some graphical output. If this library is
not installed in the system, the source code must be compiled with the “NO_GFX_MODE”
option. The compilation should not result in any errors or warning messages and it should
produce an executable named “sss”. Any problems in installation should be reported by
e-mail to: Jaakko.Leppanen@vtt.fi.
Code updates are provided to registered users by distributing the updated source files by
e-mail. New files replace old ones and the code must be re-compiled for the changes to take
effect.

1

The main platforms in PSG/Serpent development have been a 2.6 GHz dual-core AMD Opteron PC with
5 Gb RAM running Fedora Core 4 and an iBook G4 with 1.2 GHz PowerPC processor and 768 Mb RAM
running OS X v10.4.
2
For a detailed description of Makefiles, see: http://www.gnu.org/software/make.

8

1.2 Running the Code

1.2

9

Running the Code

All interaction between the code and the user is handled through one or several input files
and various output files, as described in the following chapters. The code is run from the
command line interface. The general syntax is:
sss  []
where 


is the name of the main input file
are the options

The input file is a standard text file containing the input description. The input can also be
divided into several files which are referred to in the main file.
The available options are:
print version information and exit
run the simulation using random number seed from
previous calculation
-plot
terminate run after geometry plot
-testgeom 
test the geometry using  randomly sampled
neutron tracks
-checkvolumes  calculate Monte Carlo estimates for material
volumes by sampling  random points
-mpi 
run simulation in parallel mode (see Sec. 1.3)
-disperse
generate random particle or pebble distribution
files for HTGR calculations

-version
-replay

The replay option forces the code to use the same random number seed as in a previous run.
Without this option, the seed is taken from system time and written in a separate seed file
(named .seed) for later use. The seed can also be set manually in the input
using the “set seed” option.3
The geometry test option can be used for debugging the geometry in addition to the geometry
plotter. The code randomly samples neutron tracks across the geometry and checks that the
cells are correctly defined. Some input errors can spotted using this option.
The volume checking option can be used to verify that the volumes used in the calculation
are correct. The code is able to calculate cell volumes for simple lattice geometries, but
some more complicated geometry types require the values to be set by the user. The volumes
3

The results of a Monte Carlo calculation depend on the sequence of pseudo random numbers used during
the simulation. This sequence is fixed by the random number seed and the calculation can be repeated using the
same seed. The capability to reproduce the same simulation is important, for example, for debugging purposes.
Some codes, such as MCNP [2], use a fixed seed value, which results in the same results every time the code is
run. The Serpent code uses by default a different seed for each run and hence the results are different as well.
This behavior can be overridden by the replay command line option or by setting the seed manually in the input
file.

1.3 Parallel Calculation

10

are used for normalizing reaction rates for detectors and burnup calculation. The number of
random points should be large (at least 1,000,000) for good statistical accuracy.
The random particle / pebble distribution generator works by prompting the user information
on the volume type and dimensions, particle data and packing fractions. The code then
generates a distribution inside the desired volume without overlapping any particles. The
data is written in a file using format that can be directly read into the explicit HTGR geometry
model (See Sec. 3.8.2 on page 40). The option is available from code version 1.1.5 on.
IMPORTANT NOTES ON RUNNING THE CODE:
1. The seed file is overwritten by a new value each time the code is run without the replay
option and the old seed is lost.
SEE ALSO:
1. Dividing the input into several files (Sec.2.2.3 on page 16)
2. Setting the random number seed manually (Sec. 5.18 on page 73)
3. Geometry plotter (Sec. 3.9 on page 42)
4. Setting material volumes manually (Sec. 4.1.2 on page 49)

1.3

Parallel Calculation

Serpent uses the Message Passing Interface (MPI) [3] for parallel calculation. To activate this
capability the code must be compiled with the “PARALLEL_MPI” option (see the Makefile
for details) and the MPI libraries must be installed on the system.
There are two options for running the code in the parallel calculation mode. The first option
is to use the standard MPI tools, such as mpirun:
[user@host mpitest]$ mpirun -np 10 sss input

This command executes the calculation in 10 hosts as defined in the parallel environment.
The second option is to use the built-in MPI runner and define the number of tasks in the
command line:
[user@host mpitest]$ sss -mpi 10 input

In this calculation mode, the code attempts to run mpirun on its own. This may require small
modifications in the source code or may not work at all in some systems. The file path for
mpirun is defined by the “MPIRUN_PATH” precompiler variable in the “header.h” source
file.

1.4 Nuclear Data

11

IMPORTANT NOTES ON PARALLEL CALCULATION:
1. Parallel calculation is available from version 1.0.3 on.
2. When multiple tasks are sharing the same memory space, the size of allocated memory
is also multiplied. This should be taken into account when setting the memory size in
the compilation.
3. The methodology is still under development. The calculation lacks error tolerance and
load sharing and the mode should be used only in systems consisting of identical hosts.
Most of the MPI routines were directly adopted from PSG and features exclusively
available in Serpent (including burnup calculation) are not thoroughly tested.
SEE ALSO:
1. The MPI standard: http://www-unix.mcs.anl.gov/mpi/
2. The mpirun script:
http://www-unix.mcs.anl.gov/mpi/www/www1/mpirun.html

1.4

Nuclear Data

The Serpent code reads continuous-energy interaction data from ACE format cross section
libraries. The current installation package contains libraries based on JEF-2.2, JEFF-3.1,
ENDF/B-VI.8 and ENDF/B-VII evaluated data files. Since the data format is shared with
MCNP, alternative data for various isotopes should be readily available to most users. There
are also several ACE format data libraries based on different evaluations publicly available
through the OECD/NEA Data Bank [4]. New libraries can be produced from raw ENDF
format data using the NJOY nuclear data processing system [5].

1.4.1

Data Types

Three types of cross sections are available in the data files. Continuous-energy neutron cross
sections (type 1) are used for the actual transport simulation. The data contains all necessary
reaction cross sections, together with energy and angular distributions, fission neutron yields
and delayed neutron parameters.
The second data type is the dosimetry cross section (type 2). Dosimetry cross sections exist for a large variety of materials and may include derived reaction modes not commonly
encountered in transport calculation. The data may consist of one or several partial cross
sections, but all energy and angular distributions are omitted. The data can be used with
detectors but not in physical materials included in the transport calculation.

1.4 Nuclear Data

12

Thermal scattering cross sections (type 3) are used to replace the low-energy free-gas elastic
scattering reactions for some important bound moderator nuclides, such as hydrogen in water
or carbon in graphite. Thermal systems cannot be modelled using free-atom cross sections
without introducing significant errors in the spectrum and the results.

1.4.2

Directory File

The cross section data is accessed by using a separate directory file, which differs from the
“xsdir” file commonly used with ACE format data. A conversion between the two formats
can be made by running the “xsdirconvert” utility script, included in the installation package:
[user@host xsdata]$ xsdirconvert.pl data.xsdir >> data.xsdata

The Serpent directory file contains the data necessary for the code for locating the cross
section libraries and forming the material compositions. Each line in the directory file has
the following format:
        
where 









is the name identifying the nuclide in the input file
is the actual nuclide name in the data
is the type of the data
is the isotope identifier (1000*Z + A)
is the isomeric state number (0 = ground state)
is the atomic weight
is the nuclide temperature (in K)
is the binary format flag (0 = ASCII, 1 = binary)
is the data path for the library

EXAMPLES:
1001.06c
H-1.06c
8016.06c
O-16.06c
40000.06c
Zr-nat.06c
92235.09c
U-235.09c
92238.09c
U-238.09c
95342.09c
Am-242m.09c
lwtr.03t
Np-237.30y

1001.06c
1001.06c
8016.06c
8016.06c
40000.06c
40000.06c
92235.09c
92235.09c
92238.09c
92238.09c
95342.09c
95342.09c
lwtr.03t
93237.30y

1
1
1
1
1
1
1
1
1
1
1
1
3
2

1001
1001
8016
8016
40000
40000
92235
92235
92238
92238
95242
95242
0
93237

0
0
0
0
0
0
0
0
0
0
1
1
0
0

1.00783
1.00783
15.99492
15.99492
91.21963
91.21963
235.04415
235.04415
238.05078
238.05078
242.05942
242.05942
0.00000
239.10201

600.0
600.0
600.0
600.0
600.0
600.0
900.0
900.0
900.0
900.0
900.0
900.0
0.0
0.0

0
0
0
0
0
0
0
0
0
0
0
0
0
0

/xs/1001_06.ace
/xs/1001_06.ace
/xs/8016_06.ace
/xs/8016_06.ace
/xs/40000_06.ace
/xs/40000_06.ace
/xs/92235_09.ace
/xs/92235_09.ace
/xs/92238_09.ace
/xs/92238_09.ace
/xs/95342_09.ace
/xs/95342_09.ace
/xs/tmccs1
/xs/llldos1

1.4 Nuclear Data

93237.30y 93237.30y 2 93237 0 239.10201

13

0.0 0 /xs/llldos1

The alias is the nuclide name used in the input file and it may or may not be the same as
the actual isotope name. The xsdirconvert tool writes two entries for each nuclide, one using
the original name and another one using the element symbol and the isotope number. The
data types are: 1 = continuous-energy, 2 = ACE dosimetry. 3 = thermal scattering, The
temperature entry is used with transport data only and the atomic mass with transport and
dosimetry cross sections.
Isomeric states are identified from the state number4 (see Am-242m in the example). There
is no standard convention on how to name these isotopes in the ACE format data, but the
xsdirconvert-tool assumes that the mass number of isomeric state nuclides is increased above
300. If another convention is used, the state number must be set manually in the directory
file. It is recommended that the isomeric state entries are always carefully checked after
running xsdirconvert.

1.4.3

Radioactive Decay and Fission Yield Data

Radioactive decay and fission yield data is needed for running the Serpent code in the independent burnup calculation mode. It is recommended that the libraries are included in the
coupled mode as well, since it enables the data to be reproduced in the output file, making it
directly available to the coupled calculation.
The decay constants and fission product distributions are read from standardized ENDF format data files [6]. The format is directly accessible and the data requires no preprocessing.
JEF-2.2, JEFF-3.1, ENDF/B-VI.8 and ENDF/B-VII data libraries are included in the installation package. More data can be downloaded from various Internet sources:
– OECD/NEA Data Bank: http://www.nea.fr/html/dbdata/
– Los Alamos T2 Nuclear Information Service: http://t2.lanl.gov
– US National Nuclear Data Center: http://www.nndc.bnl.gov
– US Radiation Safety Information Computational Center:
http://www-rsicc.ornl.gov
– IAEA Nuclear Data Centre: http://www-nds.iaea.org
– JAEA Nuclear Data Center: http://wwwndc.tokai-sc.jaea.go.jp
IMPORTANT NOTES ON INTERACTION DATA:
4

The information on isomeric states is needed for burnup calculation only. All nuclides are treated similarly
in the transport simulation.

1.4 Nuclear Data

14

1. The weight in the directory file is given as the atomic weight, not the atomic weight
ratio as in MCNP xsdir files.
2. The temperature in the directory file is given in Kelvin, not in MeV as in the MCNP
xsdir files.
3. Binary data is not supported in the current code version.
4. The data path in the directory file must refer to the absolute, not the relative location
of the library file.
5. The code always uses the first matching entry in the directory file. The use of duplicate
isotope names may lead to unexpected results.
SEE ALSO:
1. Setting up the file paths (Sec.5.4 on page 57)
2. Material definitions (Chapter 4 on page 47)

Chapter 2
Input
2.1

General

The Serpent code has no interactive user interface. All communication between the code and
the user is handled through one or several input files and various output files discussed in
Chapter 6. User-defined detectors are discussed as a separate item in Chapter 7 and burnup
calculation in Chapter 8.

2.2

Input format

The format of the input file is unrestricted. The file consists of white-space (space, tab or
newline) separated words, containing alphanumeric characters(’a-z’, ’A-Z’, ’0-9’, ’.’, ’-’).
If special characters or white spaces need to be used within the word (file names, etc.), the
entire string must be enclosed within quotation marks.

2.2.1

Input cards

The input file is divided into separate data blocks, denoted as cards. The file is processed
one card at a time and there are no restrictions in what order the cards should be organized.
The input cards are listed in Table 2.1 and detailed descriptions are provided in the following
chapters. All input cards and special command words are case-insensitive. Each input card is
delimited by the beginning of the next card. It is hence important that none of the parameter
strings used within the card coincide with the card identifiers in Table 2.1.

15

2.2 Input format

16

Table 2.1: List of commands and input cards
Card
cell
dep
det
disp
ene
include
lat
mat
mesh
nest
particle
pbed
pin
plot
set
src
surf
therm
trans

2.2.2

Description
cell definition
irradiation history
detector definition
implicit HTGR particle fuel model
detector energy binning
read a new input file
lattice definition
material definition
reaction rate mesh plotter
nest definition
particle definition
explicit HTGR particle / pebble bed fuel model
pin definition
geometry plotter
misc. parameter definition
external source definition
surface definition
thermal scattering data definition
universe transformation

Chapter / Section
3.3
8.3
7.1
3.8.1
7.1.2
2.2.3
3.6.2
4.1.2
10.1
3.5
3.8
3.8.2
3.4
3.9
5.1
9.2
3.2
4.2
3.6.1

Page
24
110
95
39
99
16
30
48
131
27
39
40
27
42
53
126
20
49
29

Comment lines and sections

The Serpent code provides two types of comments for the input files. The percent-sign (%)
or hash (#) are used to define a comment line. Anything from this character to the end of the
line is omitted when the input file is read. The alternative is to use C-style comment sections
beginning with “/*” and ending with “*/”. Everything within these delimiters is omitted,
regardless of the number of newlines or special characters between them.

2.2.3

Dividing the input into several files

Complicated input descriptions can be simplified by dividing the cards into separate files.
This capability may also be useful if different calculation cases share some partial data.
Additional input files are recursively read from the main file using the include-command:
include ""
where 

is the file path for the input file

When this command is encountered, the program will first read the included file before

2.2 Input format

17

continuing with the main file. The number of nested input files is unrestricted. Since file
names and paths often include non-alphanumeric characters, it is good practice to always
enclose the strings within quotation marks.

2.2.4

Input errors

The Serpent code performs some error checking on the input file before proceeding with the
calculation. These checks include:
– Checking that there are an even number of quotation marks.
– Checking the correct number of parameters for some input cards.
– Checking the type (string, integer, real) of some parameters.
– Checking that the values of some parameters are within a reasonable range.
– Checking that all cards that are referred to in other cards are defined.
– Checking that all referred files exist.
– Checking that the input contains sufficient data for running the simulation.
– Various checks related to specific input cards.
Failure in any of the checks results in an error message and the termination of the calculation.
Most common input errors are caused by missing parameters or mistyped command words.
In the former case, the result is often an error message related to parameter type or number.
The program does not recognize card names with typing errors, but rather processes the entire
card as if was a set of parameters belonging to the previous card. Such errors may stop the
calculation later on for entirely different reasons, or in the worst case, run the simulation with
a set of parameters totally different from what the user intended. In case of any unexpected
behavior, the typing of the card names should the first thing to be checked.
IMPORTANT NOTES ON INPUT FORMAT:
1. The input file consists of white-space separated words containing alphanumeric characters. If special characters or white spaces need to be used (file names, etc.), the entire
string must be enclosed within quotation marks.
2. Each card is delimited by the beginning of the next card and it is hence important
that the card names are not used in for other purposes, for example as cell or material
names. If the name of an input card is spelled incorrectly, the previous card is not
delimited, which may result in a completely unexpected behavior.

2.3 Units

18

3. Running the Serpent code should never result in crash or termination without an error
message. In such case, please report the problem by e-mail to
Jaakko.Leppanen@vtt.fi.

2.3

Units

Table 2.2 summaries the most essential units used in the code.
Table 2.2: Units used in the Serpent code.
Quantity
Distance
Area
Volume
Time
Energy
Microscopic cross section
Macroscopic cross section
Mass
Mass density
Atomic density
Power
Power density
Neutron flux
Reaction rate
Burnup
Burn time

Unit
cm
cm2
cm3
s
MeV
b
1/cm
g
g/cm3
1024 /cm3
W
kW/g
1/cm2 s
1/cm3 s
MWd/kgU
days

Notes

(depends on the case)
(barn = 10−24 cm2 )

( = 1/barn×cm)

(reaction rate density)
(per total initial heavy metal)

IMPORTANT NOTES ON UNITS:
1. Power, neutron flux, reaction rate and all related quantities depend on how the neutron
source rate is normalized.
SEE ALSO:
1. Source rate normalization (Sec. 5.8 on page 61)

Chapter 3
Geometry
3.1

The Universe-based Geometry Model in Serpent

The Serpent code uses a universe-based geometry model for describing complicated structures, very similar to MCNP. This means that the geometry is divided into separate levels,
which are all constructed independently and nested one inside the other. This approach allows the complexity of the geometry to be divided into smaller parts, which are much easier
to handle. It also enables the use of regular geometry structures, such as square and hexagonal lattices, commonly encountered in reactor applications.
Perhaps the best example of a universe-based geometry construction is the reactor core. At
the highest level, the geometry consists of fuel pins, in which the fuel pellets are surrounded
by cladding and coolant. Each pin type is described independently in its own universe. The
next level is the fuel assembly, in which the pin universes are arranged in a regular lattice.
The assembly may also comprise flow channel walls, moderator channels or any support
structures. In the next geometry level these assembly universes are arranged in another lattice
to form the core layout, which can be surrounded by radial and axial reflectors and finally
the reactor pressure vessel wall.
The basic building block of the geometry is the cell, which is a region of space determined
using simple boundary surfaces. Each cell is filled with a homogeneous material composition, void or another universe.

3.2

Surface Definitions

Serpent provides for various elementary and derived surface types for geometry construction. A “derived” surface type refers here to a surface comprised of two or more elementary
surfaces, such as a cube constructed of six planes. The input format does not make any dif-

19

3.2 Surface Definitions

20

ference between elementary and derived surfaces and the description below applies to both.
The syntax of the surface card is:
surf     ...
where 

  ...

is the surface identifier
is the surface type (see Table 3.1)
are the surface parameters

The surface identifier is an arbitrarily chosen number identifying the surface in the cell definitions. Surface types and their use is described in the following subsections.

3.2.1

Surface types

The present code version contains 20 surface types, listed in Table 3.1. The number of
parameters is fixed and depends on the type. Some surface types have parameters that are
optional.
For the three types of planes, the x0 , y0 and z0 coordinates refer to distances from the origin. For sphere, cube and the cylindrical surfaces these parameters define the coordinates
of the surface center. Sphere, cube and cylinder radii are given by r. The square, hexagonal and cruciform cylinders also include an optional parameter r0 , which defines the radius
of rounded corners. If this parameter is omitted, it is assumed that the corners are sharp.
The optional parameters z1 and z2 are bottom and top planes of truncated cylinder. The
cylindrical surfaces are illustrated in Figure 3.1.
The cuboid is defined by the minimum and maximum coordinates in each direction.
The hexagonal prismatic surfaces are similar to the corresponding cylinders, with the difference that the enclosed space is limited by bottom and top planes at z1 and z2 .
The “pad” is a cylindrical surface type that was included in the code in order to model the
neutron pad in the VENUS-2 reactor dosimetry benchmark [7]. The surface is defined as a
sector between angles θ1 and θ2 cut out from a layer between cylinders of radii r1 and r2 .
The “cone” or “conz” surface type (see Fig. 3.2) is determined by the x0 , y0 and z0 coordinates of the base, the base radius r and the height h. The height of the cone also determines
the orientation: a positive value for a cone pointing in positive direction and a negative value
for a cone pointing in the negative direction of the z-axis. Cones oriented in the x- and y-axes
(“conx” and “cony”, respectively) are defined in a similar manner.
The “dode” and “octa” surface types (see Fig. 3.3) are determined by the x0 and y0 coordinates of the central axis and two distances r1 and r2 from the center. If the second value
is omitted, the surface is a regular octa- or dodecagonal cylinder. The octagonal cylinder
basically consists of two intersecting square and the dodecagonal surface of two intersecting

3.2 Surface Definitions

21

Table 3.1: Surface types in the Serpent code.
Type
inf
px
py
pz
sph
cylx
cyly
cylz or cyl
sqc
cube
cuboid
hexxc
hexyc
hexxprism
hexyprism
cross
pad
conx
cony
conz or cone
dode
octa
plane
quadratic

Description
all space
plane perpendicular to x-axis
plane perpendicular to y-axis
plane perpendicular to z-axis
sphere
circular cylinder parallel to x-axis
circular cylinder parallel to y-axis
circular cylinder parallel to z-axis
square cylinder parallel to z-axis
cube
cuboid
x-type hexagonal cylinder parallel to z-axis
y-type hexagonal cylinder parallel to z-axis
x-type hexagonal prism parallel to z-axis
y-type hexagonal prism parallel to z-axis
cruciform cylinder parallel to z-axis
(see description below)
cone oriented in the x-axis
cone oriented in the y-axis
cone oriented in the z-axis
dodecagonal cylinder parallel to z-axis
octagonal cylinder parallel to z-axis
general plane
general quadratic surface

Parameters
x0
y0
z0
x0 , y0 , z 0 , r
y0 , z0 , r, x1 , x2
x0 , z0 , r, y1 , y2
x0 , y0 , r, z1 , z2
x0 , y0 , r, r0
x0 , y0 , z 0 , r
x1 , x2 , y1 , y2 , z 1 , z 2
x0 , y0 , r, r0
x0 , y0 , r, r0
x0 , y0 , r, z1 , z2
x0 , y0 , r, z1 , z2
x0 , y0 , r, d, r0
x 0 , y 0 , r1 , r2 , θ 1 , θ 2
x0 , y0 , z0 , r, h
x0 , y0 , z0 , r, h
x0 , y0 , z0 , r, h
x 0 , y 0 , r1 , r2
x 0 , y 0 , r1 , r2
A, B, C, D
A, B, C, D, E, F, G, H, J, K

regular hexagons.
The general plane is defined by equation
Ax + By + Cz = D
This is a simplified case of the general quadratic surface, defined by
Ax2 + By 2 + Cz 2 + Dxy + Eyz + F zx + Gx + Hy + Jz + K = 0

3.2.2

Positive and negative surface sides

The surfaces are used for defining the geometry cells as will be described in the following
section. For this purpose, each surface is associated with a positive side and a negative side.
It is defined that a point is inside a surface if it is located on the negative side of the surface.

3.2 Surface Definitions

22

cyl

sqc

hexxc

r0
r

r
r

x0 y0

x0 y0

x0 y0

r
d

r

r1

x0 y0

x0 y0

x0 y0

hexyc

cross

pad

r2

Figure 3.1: Basic cylinder types. The surfaces are infinite in the z-direction. The square
cylinder illustrates the definition of rounded corners.

h
x0 y0 z 0
r
cone
Figure 3.2: The cone surface.

For the three types of planes, the positive side is defined in the direction of the positive
coordinate axis. The positive sides of the sphere, cube, cone and the cylindrical surfaces are
defined outside the perimeter of the surface.

3.2.3

Surface examples

A few simple examples of surface definitions are given in the following.

3.2 Surface Definitions

23

r1

r2

r1

r2
r1

r1

x0 y0

x0 y0

r2

r2

octa

dode

Figure 3.3: The octagonal and dodecagonal cylinder surfaces.

% --- plane perpendicular to x-axis, located at x = 4.0 cm:
surf 1 px
4.000
% --- sphere centered at (1.0, 0.0, 2.0), radius 5.0:
surf 2 sph
1.000 0.000 2.000 5.000
% --- cylinder centered at origin, radius 10.5 cm:
surf 3 cyl
0.000 0.000 10.500
% --- cube at origin with diameter 5.0 cm:
surf 4 cube
0.000 0.000 0.000 2.500
% --- square cylinder centered at origin, radius 10.0 cm,
%
rounded corners with radii 0.2 cm:
surf 5 sqc
0.000 0.000 10.000 0.200
% --- x-type hexagonal cylinder centered at (1.0, 0.0),
%
radius 2.0 cm:
surf 6 hexxc 1.000 0.000 2.000
% --- cruciform cylinder centered at origin, radius 20.0 cm,
%
half-thickness 5.0 cm:
surf 7 cross 0.000 0.000 20.000 5.000
% --- neutron pad used in the VENUS-2 benchmark:
surf 8 pad
0.000 0.000 11.250 54.750 59.073 65.073
% --- cone at origin, base diameter 2.0 cm, height 5.0 cm
surf 9 cone
0.000 0.000 0.000 1.000 5.000

IMPORTANT NOTES ON SURFACES:

3.3 Cell Definitions

24

1. In code versions earlier than 1.1.8 the cone surface type may only be used with the full
delta-tracking calculation mode (threshold = 1).
2. Reflective and periodic boundary conditions may only be used in geometries where
the outermost boundary is defined by a square or hexagonal cylinder or a cube.
3. The dodecagonal cylinder surface type is available from code version 1.1.4 on.
4. The octagonal cylinder and general plane and quadratic surface are available from code
version 1.1.9 on.
SEE ALSO:
1. Delta-tracking options (Sec. 5.11 on page 66)
2. Boundary conditions (Sec. 5.7 on page 59)

3.3

Cell Definitions

The geometry description in the Serpent code consists of two- or three-dimensional regions,
denoted as cells. Each cell is defined using a set of positive and negative surface numbers,
which correspond to the surface identifiers defined in the surface cards. Unlike MCNP and
other Monte Carlo codes, Serpent can only handle intersections of boundary surfaces. This
means that the neutron is inside the cell, if and only if it is on the same side of each boundary
surface as given in the surface list (see the examples below).
The lack of the union operator restricts the generality of the geometry description to some
extent. This limitation is compensated for by providing a large collection of derived surface
types, which in most cases can be used to replace the unions of the elementary surfaces. The
advantage of this approach is that the geometry description remains relatively simple.1

3.3.1

Cell types

The syntax of the cell card is:
1

It is known that the use of derived surface types may slow down the neutron tracking routine in some cases
when the conventional ray-tracing algorithm is used. Neutron transport in Serpent, however, is primarily based
on the delta-tracking method which is not prone to such limitations. The use of derived surface types reduces
the total number of surfaces, which may actually speed up the delta-tracking routine in complicated geometries.

3.3 Cell Definitions

25

cell      ...
where 


  ...

is the cell name
is the universe number of the cell
is the cell material
are the boundary surfaces

The cell name is a text string that identifies the cell.2 Each cell belongs to a universe, which
is determined by the universe number (lattices and universes are thoroughly described in
Section 3.6 on page 28). Cell material determines the name of the material that fills the cell
(see Chapter 4 for material definitions). There are three exceptions:
1. If the cell is empty, the material name is set to “void”.
2. If the cell describes a region of space that is not part a of the geometry, the material
name is set to “outside”.
3. If the cell is filled by another universe, the material name is replaced by command
“fill” and the number of the filling universe.
The “outside” cells are required for filling the regions of space that are not a part of the actual
geometry. When the neutron streams to such a region, the history is terminated or boundary
conditions are applied.
The cell shape is determined by the list of boundary surfaces. Positive entries refer to positive
(“outside”) surface sides and negative entries to negative (“inside”) surface sides. The cell is
defined as the intersection of all surfaces in the list.

3.3.2

Cell examples

A few simple examples of cell definitions are given in the following.
% --- two half-planes separated by a plane in the z-axis at 5.0 cm:
surf 1 pz
cell 1 1
cell 2 1

5.000
water
air

-1
1

% lower half-plane filled with "water"
% upper half-plane filled with "air"

% --- solid uranium sphere ("Godiva") of radius 8.7407 cm:
2

When the number of cells in the geometry is large, it is often easier to replace cell names with numerical
constants. This is possible since the code treats cell numbers as any other text strings. This convention is
followed in most example cases in this manual.

3.3 Cell Definitions

surf 1 sph
cell 1 0
cell 2 0

0.0

26

0.0

uranium
outside

0.0

-1
1

8.7407

% uranium inside sphere
% outside world

% --- tungsten-reflected plutonium sphere:
surf 1 sph
surf 2 sph
cell 1 0
cell 2 0
cell 3 0

0.0
0.0

0.0
0.0

plutonium
tungsten
outside

0.0
0.0
-1
1 -2
2

5.0419
9.7409
% plutonium inside surface 1
% tungsten between surfaces 1 and 2
% outside world

% --- a segment of LWR fuel rod in water:
surf
surf
surf
surf
surf

1
2
3
4
5

cyl
0.0
cyl
0.0
cyl
0.0
pz -50.0
pz
50.0

cell
cell
cell
cell
cell
cell

1
2
3
4
5
6

1
1
1
1
1
1

UO2
void
clad
water
water
water

0.0
0.0
0.0

0.40
0.45
0.60

-1
1 -2
2 -3
3
-4
5

4
4
4
4

-5
-5
-5
-5

%
%
%
%
%
%

UO2 fuel inside surface 1
gap between fuel and cladding
cladding
water outside cladding
water below the segment
water above the segment

IMPORTANT NOTES ON CELLS:
1. Material names “void”, “outside” and “fill” are reserved for empty cells, cells
not belonging to the geometry and cells filled by another universe, respectively.
2. Only the intersection operator is available for cell definitions. This means that a point
is inside the cell if and only if it is inside (or outside if defined by a negative surface
number) all the boundary surfaces in the list.
SEE ALSO:
1. Material definitions (Chapter 4 on page 47)
2. Boundary conditions (Sec. 5.7 on page 59)

3.4 Fuel pin definitions

3.4

27

Fuel pin definitions

Since Serpent is primarily a lattice physics code, the geometry has a simplified definition for
fuel pins consisting of nested annular material layers. The syntax of the pin card is:
pin 
 
 
...

where 
  ...
  ...

is the pin identifier (universe number)
are the materials
are the outer radii of the material regions

The fuel pin is not an actual geometry object, but rather a macro that is used to define a
pin universe. The material regions and their outer radii are given in ascending and the code
constructs the cells using using cylindrical surfaces. If the radius is negative, it is interpreted
as layer thickness instead of absolute radius. The universe number is set by the pin identifier.
Pin materials can also be other universes, which are defined using the fill command (See
filled cells on page 28).
Pin definitions are most commonly used with lattices to define fuel assemblies. Examples
are given in the following section.
IMPORTANT NOTES ON PIN DEFINITIONS:
1. The pin identifier is a universe number, which must not coincide with another universe.
2. The outermost material regions is given without a radius and it fills the rest of the
universe.
3. Layer thickness are available from version 1.1.13 on.
SEE ALSO:
1. Filled cells (Sec. 3.6 on page 28)
2. Lattice examples (Sec. 3.6.3 on page 32)

3.5

Nests

Fuel pin and particle (see Sec. 3.8 on page 39) are special cases of the nest geometry type,
defined as:

3.6 Universes and Lattices

nest
 
1> 
2> 
n>

where 

  ...
  ...

is the nest identifier (universe number)
is the surface type
are the materials
are the surface parameters

Nested objects consist of materials or sub-universes separated by similar surfaces. Nests can
be defined using planar (px, py, pz), cylindrical (cyl, sqc, hexxc, hexyc), spherical
(sph) or cubical (cube) surface types. In each case the parameters , , ...
define the main dimension, all other parameters are set to zero.

3.6

Universes and Lattices

As mentioned above, a universe-based geometry allows the geometry to be divided into
separate levels. Each universe is defined independently and must cover all space. Regions of
space not belonging to the geometry must be defined using “outside” cells. The universes are
defined by the cell universe numbers and the geometry is layered by replacing the material
name with the fill command:
cell   fill    ...
where 


  ...

is the cell name
is the universe number of the cell
is the universe number of the filling universe
are the boundary surfaces

Each universe has its own origin, which can be shifted using the universe transformation
command (see Sec. 3.6.1) The lowest level of the geometry belongs to universe 0, which
must always exist.

3.6.1

Universe transformations and rotations

Each universe is by default centered at the origin, which may sometimes cause difficulties
with filled cells. The origin can be shifted to another location using the universe transformation card:

3.6 Universes and Lattices

29

trans    
where 




is the universe number
is the x coordinate of the new origin
is the y coordinate of the new origin
is the z coordinate of the new origin

Universe transformations are also convenient, for example, for positioning control rods in a
reactor core. Universes filled in a lattice structure are automatically shifted to the appropriate
position and transformations are not needed.
Universe rotations were implemented in Version 1.1.14. The syntax of the transformation
card with rotations has two alternative formats:
trans       
trans      ... 
where 








is the universe number
is the x coordinate of the new origin
is the y coordinate of the new origin
is the z coordinate of the new origin
is the rotation angle around x-axis
is the rotation angle around y-axis
is the rotation angle around z-axis
are the coefficients of a rotation matrix

If three values are entered after the coordinates, they are interpreted as rotation angles around
the three coordinate axes. If nine values are entered, they form the rotation matrix, which is
used to multiply the position and direction vectors when the rotation is applied.
The coordinate translation always precedes the rotation.

3.6.2

Lattices

Lattices are special universes, filled with a regular structure of other universes. The Serpent code has eight lattice types: square lattice, two hexagonal lattices, the circular cluster
array, three infinite 3D lattices filled with a single universe and the vertical stack.

Square and hexagonal lattices
The syntax of the lattice card for the square and hexagonal lattices is:

3.6 Universes and Lattices

30

lat       

where

is the universe number of the lattice is the lattice type (= 1, 2 or 3) is the x coordinate of the lattice origin is the y coordinate of the lattice origin is the number of lattice elements in the x-direction is the number of lattice elements in the y-direction is the lattice pitch The lattice card is followed by a list of universe numbers, which determines the layout. The lattice type numbers are: 1. Square lattice 2. X-type hexagonal lattice (unit cell is the x-type hexagonal cylinder, see Fig. 3.1) 3. Y-type hexagonal lattice (unit cell is the y-type hexagonal cylinder, see Fig. 3.1) Each lattice defines a universe, which must be embedded inside a cell using the fill command. If the bounding cell is larger than the lattice, neutrons may stream to undefined lattice positions, which results in a geometry error. This can be avoided by increasing the lattice size by defining additional positions in the periphery (see examples below). Circular cluster array The circular cluster array (lattice type 4) is defined by: lat where is the universe number of the lattice is the lattice type (= 4) is the x coordinate of the lattice origin is the y coordinate of the lattice origin is the number of rings in the array The lattice card is followed by a list of rings, which are defined by: ... where ... is the number of sectors in ring is the central radius of the ring is the angle of rotation are the universe numbers filling the sectors 3.6 Universes and Lattices 31 The circular array is needed for constructing some cluster-type fuel assemblies, used in CANDU, MAGNOX, AGR and RBMK reactors. The array is also convenient for determining the fuel rod layout in some small research reactors, such as the TRIGA. Infinite 3D lattices The infinite 3D lattices are used to construct repeated structures of identical cells that fill the entire universe. This type of construction can be used, for example, for describing the microscopic fuel particles inside an HTGR fuel pebble or compact. The syntax is: lat

where

is the universe number of the lattice is the lattice type (= 6, 7 or 8) is the x coordinate of the lattice origin is the y coordinate of the lattice origin is the lattice pitch is the filler universe Lattice type 6 is a cubical lattice and types 7 and 8 x- and y-type hexagonal prismatic lattices, respectively. Vertical stack Universes can be vertically stacked, one on top of the other, using lattice type 9: lat where is the universe number of the lattice is the lattice type (= 9) is the x coordinate of the lattice origin is the y coordinate of the lattice origin is the number of axial layers The lattice card is followed by a list of axial layers, which are defined by: where is the axial position (lower boundary of the layer) is the filler universe The z-values must be given in ascending order. Space below the lowest z-value is not defined and the top layer fills the entire space above the highest value. 3.6 Universes and Lattices 32 Cuboidal 3D lattice The cuboidal lattice is a 3D structure composed of cuboids with different dimensions in the x-, y- and z-directions. The syntax is: lat where is the universe number of the lattice is the lattice type (= 11) is the x coordinate of the lattice origin is the y coordinate of the lattice origin is the z coordinate of the lattice origin is the number of lattice elements in the x-direction is the number of lattice elements in the y-direction is the number of lattice elements in the z-direction is the lattice pitch in x-direction is the lattice pitch in y-direction is the lattice pitch in z-direction The lattice card is followed by a list of universes. This lattice type is available from version 1.1.17 on. 3.6.3 Universe and lattice examples The universe and lattice definitions are best described using a few examples. The fist example is a 17×17 PWR MOX fuel assembly containing three types of fuel pins and empty control rod guide tubes (see Figure 3.4 on page 45). % --- MOX pin 1: pin 1 MOX1 4.36250E-01 void 4.43750E-01 clad 4.75000E-01 water % --- MOX pin 2: pin 2 MOX2 4.36250E-01 void 4.43750E-01 clad 4.75000E-01 water % --- MOX pin 3: pin 3 MOX3 4.36250E-01 3.6 Universes and Lattices void clad water 33 4.43750E-01 4.75000E-01 % --- Empry guide tube: pin 4 water 5.62500E-01 clad 6.12500E-01 water % --- Pin lattice (pitch = 1.26 cm): lat 10 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 1 1 1 2 3 3 3 2 3 3 2 3 3 2 3 3 3 2 1 2 3 3 3 3 4 3 3 4 3 3 4 3 3 3 3 2 1 0.0 0.0 17 17 1.26 2 3 3 4 3 3 3 3 3 3 3 3 3 4 3 3 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 2 2 4 3 3 4 3 3 4 3 3 4 3 3 4 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 2 2 4 3 3 4 3 3 4 3 3 4 3 3 4 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 2 2 4 3 3 4 3 3 4 3 3 4 3 3 4 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 2 3 3 4 3 3 3 3 3 3 3 3 3 4 3 3 2 2 3 3 3 3 4 3 3 4 3 3 4 3 3 3 3 2 1 2 3 3 3 2 3 3 2 3 3 2 3 3 3 2 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 1 1 The second example is a hexagonal VVER-440 lattice with 126 fuel pins and a central instrumentation tube. Empty lattice positions are filled with water (see Figure 3.5 on page 45). % --- Fuel pin with central hole: pin 1 void fuel void clad water 0.08000 0.37800 0.38800 0.45750 % --- Central instrumentation tube: 3.6 Universes and Lattices pin 2 water clad water 34 0.44000 0.51500 % --- Empty lattice position filled with water: pin 3 water % --- Pin lattice (x-type hexagonal, pitch = 1.23 cm): lat 10 2 0.0 0.0 15 15 1.23 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 1 1 1 1 1 1 1 3 3 3 3 3 3 3 1 1 1 1 1 1 1 1 3 3 3 3 3 3 1 1 1 1 1 1 1 1 1 3 3 3 3 3 1 1 1 1 1 1 1 1 1 1 3 3 3 3 1 1 1 1 1 1 1 1 1 1 1 3 3 3 1 1 1 1 1 1 1 1 1 1 1 1 3 3 1 1 1 1 1 1 2 1 1 1 1 1 1 3 3 1 1 1 1 1 1 1 1 1 1 1 1 3 3 3 1 1 1 1 1 1 1 1 1 1 1 3 3 3 3 1 1 1 1 1 1 1 1 1 1 3 3 3 3 3 1 1 1 1 1 1 1 1 1 3 3 3 3 3 3 1 1 1 1 1 1 1 1 3 3 3 3 3 3 3 1 1 1 1 1 1 1 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 The third example is a CANDU cluster consisting of 37 pins in 4 rings. The third ring is rotated by 15 degrees (see Figure 3.6 on page 46). % --- Fuel pin: pin 1 fuel 0.6122 clad 0.6540 coolant % --- Cluster: lat 1 6 12 18 10 4 0.0 0.0 4 0.0000 0.0 1 1.4885 0.0 1 1 1 1 1 1 2.8755 15.0 1 1 1 1 1 1 1 1 1 1 1 1 4.3305 0.0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3.6 Universes and Lattices 35 All three examples are illustrated using the geometry plotter in Section 3.9 on page 42. It should be noted that the plots contain cell structures not included in the above examples. The following example demonstrates the use of the vertical stack: % --- Uranium ball: surf 1 sph 0.0 0.0 2.5 2.5 cell 1 1 uranium cell 2 1 void -1 1 % --- Stack 5 balls: lat 2 9 0.0 0.0 5 0.0 5.0 10.0 15.0 20.0 1 1 1 1 1 Notice that the origin of universe 1 is positioned at the bottom of each layer. IMPORTANT NOTES ON UNIVERSES AND LATTICES: 1. Each universe is defined independently and must cover all space. Regions of space not belonging to the geometry must be defined using “outside” cells. 2. The lowest level of the geometry belongs to universe 0, which must always exist. 3. Each universe has its own origin, which can be shifted using the universe transformation command. 4. Cells in higher geometry levels can only be accessed through filled cells or lattices. 5. Each lattice defines a universe, which must be embedded inside a cell using the fill command. The lattice must fill the container cell completely to avoid neutron streaming to undefined lattice positions. 6. Hexagonal lattices are defined using a square matrix for the universe layout. To position the lattice cells correctly, a number of empty cells must be defined for each row. The definition is best described in the example in Sec. 3.6.3 on page 33. 7. Multi-level hexagonal structures (pin-assembly-core) are defined using both x- and y-type hexagonal lattices with different type at each level. 3.7 Repeated Boundary Conditions 36 8. If the infinite lattice types are is used in burnup calculation, material volumes must be set manually (see Sec. 4.1.2 on page 49). 9. The vertical stack lattice type is available from code version 1.1.8 on. SEE ALSO: 1. Pin definitions (Sec. 3.4 on page 27) 2. Filled cells (Sec. 3.6 on page 28) 3.7 Repeated Boundary Conditions What happens to neutrons that end up in a region defined as being outside the geometry is dictated by the boundary conditions. There are three options: 1. Black boundary - the neutron is killed 2. Reflective boundary - the neutron is reflected back into the geometry 3. Periodic boundary - the neutron is moved to the opposite side of the geometry The condition is set by the “bc” parameter, described in Section 5.7 on page 59. Reflective and periodic boundary conditions can be used to construct infinite and semiinfinite lattice structures. The way these boundary conditions are handled in Serpent is somewhat different from other Monte Carlo codes. Instead of stopping the neutron at the boundary surface, reflections and translations are handled by coordinate transformations. This limits the outermost boundary to a few specific surface types that can be used to define a square or hexagonal lattice structure. There are basically three options: Infinite 2D geometry: The geometry has no dependence on the z-coordinate. The outer boundary is defined by a single square or hexagonal cylinder (“sqc”, “hexxc” or “hexyc”). Radially infinite, axially finite 3D geometry: The outer boundary is defined by a square or hexagonal cylinder (“sqc”, “hexxc” or “hexyc”and two axial planes (“pz”). The boundary condition takes effect in the radial direction only. The axial boundary conditions are black. Infinite 3D geometry: The outer boundary is defined by a single cube, cuboid or hexagonal prism (“cube”, “cuboid”, “hexxprism”or “hexyprism”). The boundary condition takes effect in all directions. 3.7 Repeated Boundary Conditions 37 The following examples illustrate the different geometry types. The details of the geometry are omitted for the sake of simplicity and replaced by a fill command. An infinite 2D hexagonal geometry can be defined as: surf 1 hexyc 0.0 0.0 7.350 % --- Cells: cell 1 cell 99 0 0 fill 10 outside -1 1 set bc 3 Note that the reflective boundary condition is unphysical in a hexagonal geometry. infinite 2D square geometry can be defined as: surf 1 cell 1 cell 99 sqc 0 0 -0.233 -0.233 7.68750 fill 10 outside -1 1 set bc 2 In both cases the outer boundary is defined by a single surface. If the geometry is finite in the axial dimension, the system becomes three-dimensional. A radially infinite square lattice can be defined as: surf surf surf 1 2 3 cell 1 cell 97 cell 98 cell 99 sqc -0.233 -0.233 7.68750 pz -200.0 pz 200.0 0 0 0 0 fill 10 outside outside outside -1 1 -2 3 2 -3 2 -3 set bc 2 It is also possible to define the outside world as: cell 97 cell 98 cell 99 0 0 0 outside outside outside 1 -1 -2 -1 3 3.7 Repeated Boundary Conditions 38 but the code may run slower because the boundary condition will be handled also for some neutrons that end up outside the geometry. As for the infinite 2D geometry, the boundary in an infinite 3D geometry must be defined by a single surface, such as a cube: surf 1 cell 1 cell 99 cube 0.0 0.0 0.0 3.0 0 0 fill 10 outside -1 1 set bc 2 or a hexagonal prism: surf 1 cell 1 cell 99 hexxprism 0.0 0.0 1.880 0.0 4.93 0 0 fill 10 outside -1 1 set bc 3 In both cases the boundary conditions are enforced in both radial and axial directions. IMPORTANT NOTES ON REPEATED BOUNDARY CONDITIONS: 1. The outer boundary must be defined by a single surface in infinite 2D and 3D geometries. The allowed surface types for a 2D geometry are square and hexagonal cylinders. Infinite 3D geometries can be defined using a cube, cuboid or hexagonal prism. 2. Axially infinite, radially finite geometries are defined by a square or hexagonal cylinder and two axial planes. The way the outside world is defined may affect the running time. 3. The hexagonal cylinder and prismatic surfaces are physically reasonable only with periodic boundary conditions (reflective boundary conditions work if the geometry has a 30 degree symmetry). The use of reflective boundary conditions with these types was enabled in update 1.1.18. In earlier code versions the boundary condition is automatically changed into periodic. SEE ALSO: 1. Surface types (Sec. 3.2.1 on page 20) 2. Defining the outside world (Sec. 3.3.1 on page 25) 3. Setting the boundary condition (Sec. 5.7 on page 59) 3.8 HTGR geometry types 3.8 39 HTGR geometry types The fuels in high-temperature gas-cooled reactors (HTGR) consist of microscopic TRISO particles dispersed in a graphite matrix. The multi-layer fuel particles can be defined similar to fuel pins (see Sec. 3.4 on page 27): particle ... where ... ... is the particle identifier (universe number) are the materials are the outer radii of the material regions The simplest approach is to describe the particle distribution as a regular lattice, using lattice types 6, 7 or 8 (See the infinite 3D lattices in Sec. 3.6.2). However, the regular arrangement fails to account for the random distribution of the particles and often leads to a distorted fuel-to-moderator ratio due to cell cut-off at the outer boundary. For this reason the Serpent code has two geometry models specifically designed for HTGR fuels. 3.8.1 Implicit particle fuel model The implicit particle fuel model works by sampling new particles on the neutron flight path during the tracking process. The input syntax is: disp ... where ... ... ... is the universe number of the dispersed medium is the universe filling the space between the particles are the packing fractions of the particle types are the radii of the particle types are the universe numbers of the particle types The number of particle types is not limited, but the sum of the packing fractions must be less than 1.0 (physical factors set the upper limit much lower, although this is not checked by the routine). The implicit particle fuel model was revised in update 1.1.3. It should be noted that the model is not exact and there are statistically significant differences compared to the explicit model described below. The implicit model seems to work best for low packing fractions but no comprehensive validation has been carried out yet. 3.8 HTGR geometry types 3.8.2 40 Explicit particle / pebble bed fuel model A better choice for modeling HTGR geometries is the explicit particle fuel model, which reads the positions of the particles from a separate file. The same model can be used for setting up reactor-scale pebble-bed geometries. The input syntax is: pbed "" [] where is the universe number of the dispersed medium is the universe filling the space between the particles / pebbles is the input file containing the particle / pebble coordinates are the options The particle / pebble distribution is handled explicitly, so there are no approximations done in the modeling. Each line in the input file describes the position of a single particle / pebble. The format is: where is the x coordinate of the particle / pebble is the y coordinate of the particle / pebble is the z coordinate of the particle / pebble is the radius of the particle / pebble is the universe number of the particle / pebble The total number of entries is unlimited, although memory or running time may become a limiting factor if the number exceeds several million. The options are used to activate the calculation of various particle / pebble-wise parameters. Currently the only available option is the power distribution, which is requested with option “pow”. The code writes the output in a separate file “.out”, where “” is the file where the distribution was read. The input data is included for convenience. The format of the output is:

where

is the x coordinate of the particle / pebble is the y coordinate of the particle / pebble is the z coordinate of the particle / pebble is the radius of the particle / pebble is the universe number of the particle / pebble is the power produced inside the particle / pebble is the associated relative statistical error All results depend on source normalization (see Sec. 5.8 on page 61). 3.8 HTGR geometry types 3.8.3 41 HTGR geometry examples The following example shows how the particle distribution inside a single PBMR fuel pebble can be modeled using a regular 3D array and the two particle fuel models in the Serpent code. The definition of a fuel particle is very similar to the fuel pin: % --- Definition of a coated fuel particle: particle 1 fuel buffer PyC SiC PyC matrix 0.0250 0.0340 0.0380 0.0415 0.0455 The first option is to describe the particle distribution as a regular cubical lattice: % --- Option 1: regular 3D array: lat 10 6 0.0 0.0 0.16341 1 The implicit particle fuel model is defined using a list of packing fractions and particle types: % --- Filler universe composed of graphite: surf 1 inf cell 1 2 matrix -1 % --- Option 2: implicit particle fuel model: disp 10 2 0.09043 4.55000E-02 1 The explicit particle fuel model reads particle coordinates from a separate input file (can be used for pebble distributions at reactor scale as well): % --- Filler universe composed of graphite: surf 1 inf cell 1 2 matrix -1 % --- Option 3: explicit particle fuel model (read coordinates from file): pbed 10 2 "particles.inp" 3.9 Geometry plotter 42 Finally the pebble description using one of the three options (all assigned with universe number 10): % --- Pebble: surf 10 sph 0.0 0.0 0.0 2.5 surf 20 sph 0.0 0.0 0.0 3.0 surf 30 cube 0.0 0.0 0.0 3.0 cell cell cell cell 10 20 30 40 0 0 0 0 fill 10 matrix helium outside -10 10 -20 20 -30 30 IMPORTANT NOTES ON HTGR GEOMETRY TYPES: 1. The implicit particle fuel model was revised in update 1.1.3. The model is not exact and should be used with caution. Test calculations show that the model works best for low packing fractions. 2. If the implicit particle fuel model is used in burnup calculation, material volumes must be set manually (see Sec. 4.1.2 on page 49). 3. Calculation of particle / pebble-wise power distributions is available from update 1.1.4 on. SEE ALSO: 1. An earlier version of the implicit particle fuel model in Ref. [8] 3.9 Geometry plotter The geometry plotter uses the GD open source graphics library [1] for producing png format output files for visualization. In order to use the plotter, the source code must be compiled with this library included (see the Makefile for detailed instructions). The syntax of the plotter command is: 3.9 Geometry plotter 43 plot [

] where

is the orientation of the plot plane (1, 2 or 3) is the width of the plot in pixels is the height of the plot in pixels is the position on the axis perpendicular to the plot plane is the minimum value of the first coordinate is the maximum value of the first coordinate is the minimum value of the second coordinate is the maximum value of the second coordinate The orientation of the plot plane is defined as: 1. yz-plot (perpendicular to the x-axis) 2. xz-plot (perpendicular to the y-axis) 3. xy-plot (perpendicular to the z-axis) The plotted area is a rectangle defined by the orientation, the position on the perpendicular coordinate axis and the coordinates of the two corners. Zero position is assumed if the position parameter is omitted. If the corner coordinates are not given, the boundary values of the geometry are used. Each plotter command produces an output file named “_geom.png”, where is the name of the input file and is the plot index. The resolution of the figure is defined by the width and height parameters. Each material is represented by a randomly selected color (void regions are in black, geometry errors bright green or red). Surfaces are drawn with black lines, which may overlap cell regions. It should be noted that the plotted surfaces may not necessarily represent the actual cell boundaries. Example plots are shown in Figures 3.4–3.7. The lattices in the first three cases are described in the universe and lattice examples in Sec. 3.6.3. In each case the plotter command was: plot 3 1000 1000 This generates a 1000 by 1000 pixel plot perpendicular to the z-axis, located at z = 0 and covering the entire geometry. IMPORTANT NOTES ON GEOMETRY PLOTTER: 1. The geometry plotter uses the GD open source graphics library [1], which must be installed in the system. 2. The plotter produces png (portable network graphics) format output files. 3.9 Geometry plotter 44 3. The colors in the plot represent different materials. The color for each material is selected randomly (void regions are black, geometry errors bright green or red). 4. Surfaces are drawn with black lines, which may overlap cell regions. Plotted surfaces may not necessarily represent the actual cell boundaries. SEE ALSO: 1. Compiling Serpent (Sec. 1.1 on page 8) 2. The GD open source graphics library: http://www.libgd.org 3.9 Geometry plotter 45 Figure 3.4: A 17×17 PWR MOX fuel assembly with 3 pin types. Figure 3.5: A hexagonal VVER-440 fuel assembly with 126 fuel pins and a central instrumentation tube in an infinite lattice. The proportions of the assembly are slightly distorted since the hexagonal assembly is fitted inside a square region. 3.9 Geometry plotter 46 Figure 3.6: A CANDU cluster with 37 fuel pins in 4 rings. The third ring is rotated by 15 degrees. Figure 3.7: A 10×10 BWR fuel fuel assembly with 7 pin types and an asymmetrically positioned moderator channel. Chapter 4 Materials 4.1 Material definitions The geometry in Monte Carlo codes consists homogeneous material regions, which in Serpent are defined using cells and surfaces (see Chapter 3 for geometry definition).1 Each material consists of a list of nuclides and each nuclide is associated with a cross section library, as defined in the directory file (see Sec. 1.4.2 on page 12). Nuclide temperatures are fixed when the cross section data is generated and cannot be changed afterwards. It is important to use cross section libraries generated at the right temperature to correctly model the Doppler-broadening of resonance peaks. It is equally (or even more) important to use the appropriate bound-atom thermal scattering libraries for moderator nuclides. Soluble absorbers can be defined by mixing two material compositions. This option is introduced in Sec. 5.14 on page 69. The concentration can be used for critical keff iteration. Serpent also has the option to use a built-in Doppler broadening routine to adjust nuclide temperatures before the calculation. This method is described in Sec. 4.3 on page 50. 4.1.1 Nuclides Nuclide names may be arbitrary aliases defined in the directory file. The usual convention, also used by MCNP, is: 1 It is, in principle, possible to model continuously varying material compositions when the delta-tracking method is used for neutron transport. This option is considered for the future versions of the Serpent code. 47 4.1 Material definitions 48 . where is the element Z is the isotope mass number (three digits) is the library id For example, “92235.09c” refers to 235 U. Natural element cross sections are denoted by mass number zero (“40000.06c” for natural zirconium). The library id usually refers to data evaluation or temperature (“60c” for ENDF/B-VI.0 based data, “09c” for data generated at 900K, and so on...). There is no standard convention on how to name isomeric states. The xsdirconvert-utility used for producing Serpent directory files assumes a form in which the isotope mass number is simply increased above 300 (“95342.09c” for 242m Am). In any case it is important to realize that the nuclide names are used for identification only and they do not contain any information used by the code in the calculation. 4.1.2 Material cards The basic syntax of the material card is: mat [] ... where ... ... is the material name is the density (mass or atomic) are the options (depending on case) are the names of the constituent nuclides are the corresponding fractions (mass or atomic) Material name is used to identify the material in cell cards (see Sec. 3.3.1 on page 25). The nuclide names correspond to the identifier determined in the directory file. These identifiers define the cross section data used in the calculation. Densities and fractions can be given as atomic or mass values. Positive entries refer to atomic densities (in units of 1024 /cm3 ) and atomic fractions, respectively, and negative entries to mass densities (in units of g/cm3 ) and mass fractions. Isotopic compositions are normalized before the calculation and mixed entries are not allowed. If the material density is set to zero or “sum”, the value is calculated from the isotopic composition. The isotope fractions must then be in absolute density units, not relative fractions. Material volumes and masses are used for normalizing reaction rates, which is important, for example, in burnup calculation. The code calculates these automatically for simple pin structures, but the values must be entered manually for some more complicated geometries. 4.2 Thermal scattering libraries 49 Material volume is set using option: mat vol ... where is the total material volume in cm3 and material mass (alternatively): mat mass ... where is the total material mass in g Colors for the geometry plotter (see Sec. 3.9 on page 42 can be set using: mat rgb ... where is the value for red channel (between 0 and 255) is the value for green channel (between 0 and 255) is the value for blue channel (between 0 and 255) if the colors are not set, random values are used in the plots. Other options are used to set up depletion zones in burnup calculation and to determine thermal scattering libraries for moderator materials and temperatures for Doppler broadening. Material definitions in burnup calculation is a separate topic in Section 8.2 on page 109. Thermal scattering and Doppler broadening are discussed below. 4.2 Thermal scattering libraries Thermal scattering cross sections are used to replace the low-energy free-gas elastic scattering reactions for some important bound moderator nuclides, such as hydrogen in water or carbon in graphite. Thermal systems cannot be modelled using free-atom cross sections without introducing significant errors in the spectrum and results. Thermal scattering data is defined using: therm where is the name of the data library is the library identifier as defined in the directory file The library identifier is the actual name of the library in the directory file. The library name is used to associate the data with a material, in which case the material card has an additional entry: 4.3 Doppler broadening 50 mat moder ... where ... ... is the material name is the density (mass or atomic) is the name of the thermal scattering data library is the nuclide ZA of the moderator nuclide are the names of the constituent nuclides are the corresponding fractions (mass or atomic) The nuclide ZA identifies the moderator nuclide (in the form of: 1000*Z + A). The “moder” entry can be used several times to define thermal scattering libraries for multiple nuclides, such as hydrogen and deuterium in heavy water (see the example in Sec. 4.4). 4.3 Doppler broadening The Doppler broadening routine is initiated by adding a “tmp” entry in the material card: mat tmp ... where ... ... is the material name is the density (mass or atomic) is the Doppler temperature in Kelvin are the names of the constituent nuclides are the corresponding fractions (mass or atomic) The broadening is performed after the data is read from the ACE format libraries and there is slight increase in the overall calculation time, depending on the number of nuclides. If the the same nuclide is broadened to several temperatures in different materials, there is also an increase in memory usage. The routine works only if the given temperature is above the original one. The cross section libraries provided with the Serpent code are generated between 300K intervals and it is recommended that the closest temperature below the broadened value is used as the basis. 4.4 Material examples A few simple examples of material definitions are given in the following. 4.4 Material examples 51 % --- Fuel consisting of enriched UO2 and burnable absorber. % Atomic densities given in units of 1/(barn*cm): mat UO2Gd 92234.09c 92235.09c 92238.09c 64154.09c 64155.09c 64156.09c 64157.09c 64158.09c 64160.09c 8016.09c sum 4.2940E-06 5.6226E-04 2.0549E-02 4.6173E-05 2.9711E-04 4.1355E-04 3.1518E-04 4.9786E-04 4.3764E-04 4.5243E-02 % % % % % % % % % % % Atomic Atomic Atomic Atomic Atomic Atomic Atomic Atomic Atomic Atomic Atomic density density density density density density density density density density density from composition of U-234 of U-235 of U-238 of Gd-154 of Gd-155 of Gd-156 of Gd-157 of Gd-158 of Gd-160 of O-16 % --- Zircaloy cladding: mat clad 40000.06c 24000.50c 26000.55c 28000.42c 50000.42c 8016.06c -6.55000 -0.98135 -0.00100 -0.00135 -0.00055 -0.01450 -0.00125 % % % % % % % Mass Mass Mass Mass Mass Mass Mass density given in g/cm3 fraction of natural zirconium fraction of natural chromium fraction of natural iron fraction of natural nickel fraction of natural tin fraction of O-16 % --- Boronized light water with thremal scattering data: mat water 1001.06c 8016.06c 5010.06c 5011.06c -0.7207 moder lwtr 1001 -1.1180E-1 -8.8755E-1 -1.1890E-4 -5.3110E-4 therm lwtr lwtr.04t % --- Heavy water with thermal scattering data (two libraries): mat D2O 8016.06c 1002.06c 1001.06c -0.812120 moder lwtr1 1001 moder hwtr1 1002 -7.99449E-1 -1.99768E-1 -7.83774E-4 therm lwtr1 lwtr.04t therm hwtr1 hwtr.04t % --- Doppler broadening from 900K to 1000K: mat fuel -10.45700 tmp 1000 4.4 Material examples 92235.09c 92238.09c 8016.09c 52 -0.03173 -0.84977 -0.11850 IMPORTANT NOTES ON MATERIALS: 1. Nuclide names are used for identification only. All information used in the calculation is read from the directory file and the cross section data. 2. Positive entries in material density and isotopic composition refer to atomic densities and atomic fractions, respectively, and negative entries to mass densities and mass fractions. Typical input errors in material compositions are related to confusing the two definitions. 3. Isotopic compositions can be given as density values, rather than fractions, since the compositions are normalized before the calculation. 4. The mass fraction of oxygen in UO2 fuel is ∼0.1185. Natural boron consists of 20% 10 B and 80% 11 B (atomic fractions). 5. Thermal scattering data must be used for moderator materials (water, graphite, etc.) when modelling thermal systems. The use of free-atom cross sections will introduce significant errors in the results. 6. Doppler broadening is available from code version 1.1.0 on, and completed in version 1.1.2. The broadened temperature must be above the original nuclide temperature. SEE ALSO: 1. Directory files and the “xsdirconvert” utility (Sec. 1.4.2 on page 12) 2. Soluble absorber definitios (Sec. 5.14 on page 69) Chapter 5 Options 5.1 General Serpent has various calculation parameters determined using the “set” command: set ... where ... is the parameter name are the parameter values The available options are listed in Table 5.1 and described in more detail in the following sections. Parameters used for burnup calculation are described in Section 8.4 of Chapter 8. Table 8.2 on page 111 summarizes the options in the burnup calculation mode. 5.2 Neutron Population and Criticality Cycles The default calculation mode in Serpent is the k-eigenvalue criticality source method, in which the simulation is run in cycles and the source distribution of each cycle is formed by the fission reaction distribution of the previous cycle. External source simulation is discussed as a separate topic in Chapter 9. The parameters for criticality source calculation are set using: set pop [ ] where is the number of source neutrons per cycle is the number of active cycles run is the number of inactive cycles run is the initial guess for keff is the collection interval 53 5.2 Neutron Population and Criticality Cycles 54 The number of source neutrons per cycle is fixed. Since the number of generated source points usually differs from this value, the source size is increased (keff < 1) or decreased (keff > 1) to match the given source size. Inactive cycles are cycles that are run in order to allow the initial fission source distribution to converge before starting to collect the results. In lattice calculations the convergence is typically reached well within the first 20 cycles. Source convergence in full-core calculations, however, may take much longer. The initial source points are randomly selected inside the fissile cells in the geometry and no source input is needed from the user. The simulation requires an initial guess for keff , which by default is set to unity. This is usually sufficient, but if the system is far from criticality, the simulation may die out during the first few cycles. This problem may be overcome by setting the initial keff guess to a more appropriate value. If all fissile material is located in a small region compared to the geometry dimensions, initial source sampling may fail. The default source can be overridden by defining an external source, as described in Section 9.2 of Chapter 9. If the “nps” parameter is not set, the user-defined source is used as the initial guess only, and the simulation proceeds in power iterations. The statistical accuracy of the results depends on the total number of active neutron histories run, which is determined by the population size per cycle and the total number of active cycles. Appropriate values for a typical lattice calculation are 500 active cycles of 5000 source neutrons. If more precision is required or the geometry is larger, it is suggested that the population size, rather than the number of cycles is increased. The collection interval defines the number of generations run for each batch of results. By default this value is set to one, and increasing the number has essentially the same impact as running more neutrons per generation and fewer generations.1 Serpent uses two buffers to store data for new source points and neutrons produced in multiplying scattering reactions and certain special calculation modes. In some cases these buffers may be overrun, which terminates the simulation. To overcome such problems, the buffer size may be increased by setting: set nbuf where is the buffer factor (criticality mode) or total size (external source mode) In criticality source mode the buffer size is population size multiplied by the given factor (set to 2.5 by default). In external source mode neutron histories are run one at a time and the value of nbuf sets the absolute size of the buffer (set to 1000 by default). IMPORTANT NOTES ON NEUTRON POPULATION AND CRITICALITY CYCLES: 1 The difference is that the correlations between adjacent batches could be weaker, which may have some impact in the statistics in large geometries (the effects have not yet been studied). 5.3 Energy grid reconstruction 55 1. It is important that a sufficient number of cycles is discarded to allow the initial fission source to converge before starting to collect the results. This number depends on the size and the complexity of the geometry. Fission source convergence is a complicated research topic, subject to both theoretical and practical considerations [9–14]. It should be noted, however, that problems with source convergence are practically never encountered in lattice calculations where the neutron migration distance is long compared to the dimensions of the geometry. 2. The k-eigenvalue criticality source calculation yields physically consistent results only in the special case that keff = 1. When the system is far from criticality, the importance of fission neutrons is either over- (keff < 1) or underestimated (keff > 1). The result is that the neutron population becomes biased in energy and space (and time), which may affect the final results as well. The problem originates from the basic methodology and the fact that a physically sub- or super-critical chain reaction is simulated as a steady-state system. Deterministic lattice transport codes use neutron leakage models to overcome this problem, but the methodology for Monte Carlo calculation is not well established. 3. All source neutrons are born in fission. Other neutron-multiplying (n,xn) reactions are treated as scattering within the criticality cycle. 4. External source definitions are available from version 1.1.11 on. 5. Buffer size and collect interval are options available from version 1.1.13 on. SEE ALSO: 1. Simulating the neutron chain reaction and the k-eigenvalue criticality source calculation mode in Ref. [15] (Sec. 5.5 on page 112). 2. Discussion on neutron leakage models in Monte Carlo calculation in Ref. [15] (Sec. 9.5 on page 171). 3. External source simulation (Chapter 9). 5.3 Energy grid reconstruction The continuous-energy reaction cross sections in Serpent are reconstructed using a single unionized energy grid for all nuclides. The reason for this approach is the major speed-up in calculation, achieved by minimizing the number of grid search iterations.2 The default 2 Each nuclide in the continuous-energy ACE format data is associated with its own energy grid. The calculation of material total cross sections, for example, is carried out by summing over all the constituent nuclides. This requires an iterative energy grid search to be performed for each nuclide, which may take a significant fraction of the overall CPU time, especially since the procedure has to be repeated each time the neutron enters a new material. The advantage of using the same grid for all nuclides is that the grid search has to be performed only once, each time the neutron scatters to a new energy. 5.3 Energy grid reconstruction 56 method for grid reconstruction is that all grid points of all nuclides in the ACE format data are included in the master grid. The disadvantage of this method is that computer memory is wasted for storing a large number of redundant data points. The available memory is usually not a problem in fresh fuel calculations, but the introduction of actinide and fission product isotopes in burnup calculation may result in an excessively large master grid. Serpent has a method for avoiding this problem by combining adjacent grid points. The reconstruction parameters are given by: set egrid [ ] where is the fractional reconstruction tolerance is the minimum energy in the grid (MeV) is the maximum energy in the grid (MeV) The fractional reconstruction tolerance is the minimum relative difference between two grid points, below which the points are combined. All points below the lower limit and above the upper limit are discarded. The default value for the fractional reconstruction tolerance is zero in the transport calculation mode and 5 · 10−5 in the burnup calculation mode. Test calculations have shown that the results are not significantly affected until the tolerance is raised above 10−3 . There is no absolute guarantee, however, that the results are valid in all imaginable cases when the grid size is significantly reduced. It is therefore suggested that the grid reduction is not used unless necessary because of insufficient computer memory. The lower limit of the energy grid is by default set to 10−9 MeV and the upper limit to 15 MeV. Very few neutrons are born or scattered to higher or lower energies in fission reactor applications. If a reduction in memory size is necessary, an alternative to grid thinning is the double indexing method, in which the data is stored in the original ACE format and the unionized grid used only for accessing the nuclide-wise grids. This method is activated by: set dix where is 1 if the method is used and 0 if not. The double indexing method reduces the memory usage, but may lead to an increase in processing time, which may become significant in burnup calculation. Double indexing is turned off by default. IMPORTANT NOTES ON ENERGY GRID: 1. Grid reduction inevitably leads to some loss of data. There is no guarantee that this reduction does not affect the results. 2. Test calculations have shown that the reduction in grid size does not significantly affect the overall calculation time. 5.4 Library File Paths 57 SEE ALSO: 1. Cross section data in the PSG code in Ref. [15] (Sec. 8.2 on page 143). NOTE: Some of the described methods are outdated. 2. A more recent description of the unionized energy grid formats in Serpent is found in Ref. [16]. 5.4 Library File Paths The Serpent code uses a single directory file for determining the cross sections used in the transport simulation. The directory file can be generated from an MCNP xsdir file using the “xsdirconvert” utility (see Sec.1.4 on page 11). The cross section library directory file path is set using: set acelib "" where is the file path for the ACE directory file A default directory path can be set by defining environment variable SERPENT_DATA. The code looks for cross section directory files in this path if not found at the absolute location. IMPORTANT NOTES ON DATA FILES AND FILE PATHS: 1. The cross section library directory file is a text file generated by the “xsdirconvert” utility. 2. The environment variable feature is available from code version 1.1.8 on. SEE ALSO: 1. Setting up the directory file (Sec.1.4 on page 11) 2. Setting up file paths for burnup calculation (Sec.8.4 on page 111) 5.5 Unresolved resonance data The use of unresolved resonance probability tables can be switched on and off using: 5.5 Unresolved resonance data 58 set ures [] [dilu] [ ...] where is the option (1 = use data, 0 = omit data) is the calculation mode is the infinite dilution cut-off are the nuclides for which the data is used or omitted Since the probability table sampling has to be carried out during tracking, the transport cycle tends to slow down quite significantly.3 There are three options to treat the probability table data: 1. Sample all cross sections at once, each time the neutron scatters to a new energy, adjust material totals and majorant. 2. Sample cross sections when the neutron enters a new material. Use a pre-calculated majorant cross section corresponding to the maximum probability table values. 3. Sample cross sections when the neutron enters a new material. Switch to surface tracking when neutron is in the unresolved range. The overall calculation time using the different options depends on the case, in particular the flux spectrum and the number of nuclides with probability table data. Mode 1 is used by default. It should also be noted that options 2 and 3 work by sampling the cross sections for physical materials. If a material is used for detector calculation only, the probability tables may not be appropriately sampled. This is not a problem for method 1. Since the overall impact of using unresolved resonance cross sections is a self-shielding effect, the calculation routine can be optimized by omitting the probability table sampling for nuclides with low concentration. This limit is given by the infinite dilution cut-off, which is set to zero by default. If the options are followed by a list of nuclide names (94239.09c, etc.), the probability table treatment is used or omitted only for the listed nuclides. If no list is given, the options cover all nuclides with probability table data. In order for the methodology to work, the probability table data must be available in the ACE format cross section libraries. This data is not included, for example, in the default libraries provided with installation package 1.1.0. The methodology is available from update 1.1.4 on and is still under development. The mode and infinite dilution cut-off options were added in update 1.1.5. The treatment is currently switched off by default. 3 Serpent pre-calculates certain material-wise total cross sections to avoid having to sum over the constituent nuclides during the transport cycle. This pre-calculation cannot be combined with probability table sampling, which has to be carried out on-the-fly. 5.6 Doppler-Broadening Rejection Correction (DBRC) 5.6 59 Doppler-Broadening Rejection Correction (DBRC) There is a physical flaw in the ENDF reaction laws of the ACE format data, that ignores the impact of thermal motion on angular distributions of elastic scattering near resonances. The phenomenon becomes important in heavy nuclides (A > 200) with scattering resonances at low energy (< 0.2 keV), and ignoring it may result in a noticeable under-prediction of resonance absorption and over-prediction of keff . To correct this flaw, Serpent can apply a Doppler-broadening rejection correction (DBRC) in the thermal free-gas model: set dbrc [ ...] where is the minimum energy for DBRC (MeV) is the maximum energy for DBRC (MeV) are the zero-Kelvin cross section data of the nuclides involved The method uses zero-Kelvin elastic scattering cross sections in the rejection sampling loop and the provided data tells the code which nuclides should use the correction. If the correction is used with U-238, for example, the entry is the nuclide name for U-238 generated at 0K (“92238.00c”). It is usually sufficient to use DBRC for the primary heavy nuclide only. The energy range should cover the low resonance peaks. Typical range for U-238 is from 0.4 to 210 eV. The method is not used by default. IMPORTANT NOTES ON DBRC: 1. The correction increases resonance absorption, which may reduce keff by few hundred pcm. 2. DBRC is not widely used by other Monte Carlo codes, so switching the correction on may increase differences to any reference results. 3. The method is available from update 1.1.14 on. 4. Zero-Kelvin cross section data is not available in the cross section libraries distributed with the current base versions. SEE ALSO: 1. Theory behind DBRC is discussed in reference [17]. 5.7 Boundary conditions Boundary conditions determine the fate of neutrons escaping outside the defined geometry. The boundary conditions are set using: 5.7 Boundary conditions 60 set bc where is the boundary condition The Serpent code has three available boundary condition options: 1 - black, 2 - reflective and 3 - periodic. Default is the black boundary, which means that all neutrons streaming into outside cells are killed. Reflective and periodic boundary conditions can be used for setting up infinite lattices. When the neutron encounters a reflective boundary, it is diverted back into the geometry. In the case of a periodic boundary, the neutron is moved to the opposite surface. Different boundary conditions can be applied in x-, y- and z- surfaces of square cylinder, cube and cuboidal boundary. The syntax is then: set bc where is the boundary condition in the x-direction is the boundary condition in the y-direction is the boundary condition in the z-direction All three entries must be given, even if the geometry is two-dimensional. This capability is available in code version 1.1.17 on. Symmetries in finite geometries can be taken into account using the universe symmetry option: set usym where is the universe number is symmetry type is the x-coordinate of symmetry origin is the y-coordinate of symmetry origin Present version of Serpent allows only quadrant symmetries ( = 4) in universe 0. IMPORTANT NOTES ON BOUNDARY CONDITIONS: 1. The reflective and periodic boundary conditions can only be used in geometries where the outer boundary surface is either a square or a hexagonal cylinder or a cube. 2. Even though the reflective and the periodic boundary conditions produce the same results in many cases, it should be noted that they are not equivalent when the geometry is asymmetric. This is the case, for example, for BWR assemblies surrounded by an asymmetric moderator channel. Infinite BWR lattices must alway be defined using reflective, instead of periodic boundary conditions. 3. If black boundary conditions are used, the outer geometry boundary must be non reentrant or leakage will produce unphysical results. 5.8 Source rate normalization 61 4. The universe symmetry option is available from version 1.1.14 on. SEE ALSO: 1. Outside cells (Sec. 3.3.1 on page 24) 5.8 Source rate normalization The integral reaction rate estimates given by a Monte Carlo simulation are more or less arbitrarily normalized, unless fixed by a given constant. The Serpent code provides for seven options for source rate normalization. Normalization to fission neutron generation rate is set using: set genrate where is the number of fission neutrons emitted per second The neutron generation rate includes only prompt and delayed neutrons emitted in fission. All (n,xn) reactions are treated as neutron-multiplying scattering within the criticality cycle. Normalization to source rate is set using: set srcrate where is the number of neutrons emitted per second Normalization to source rate is recommended to be used only in external source calculation mode, in which case the total source rate refers to the rate at which neutrons are emitted from the user-defined source. In criticality source mode, the normalization is done for the number of neutron histories started per generation. Normalization to total fission rate is set using: set fissrate where is the number of fission reactions per second Normalization to total absorption rate is set using: set absrate where is the number of neutrons absorbed per second Absorption includes all reactions in which the incident neutron is lost, i.e. all capture reactions and fission. The default normalization is absorption rate set to unity. Normalization to total loss rate is set using: 5.8 Source rate normalization 62 set lossrate where is the number of fission neutrons lost per second Loss rate includes absorption rate and leakage. Normalization to total flux is set using: set flux where is the total neutron flux Normalization to total heating power is set using: set power

where

is the total heating power (W) The total heating power includes all heat generated in the system. If the geometry is twodimensional, the value is the linear power in W/cm. The source rate normalization can be changed during burnup calculation by re-defining the value between burnup intervals. The first value is used during the first interval, the second during the second interval and so on. It should be noted that the heating power is not the same thing as the total fission power (recoverable fission energy production rate), mainly because a significant fraction of heat is produced in (n,γ) reactions. The direct calculation of this heating power is difficult and Serpent uses an approximation based on the total fission rate and empirical heating values directly proportional to fission energy. The heating value for U-235 fission is 202.27 MeV and the values for other nuclides are scaled according to the ratios of fission Q-values. The U-235 heating value can also be set manually using: set U235H where is the heating value for U-235 (MeV) Heating values for individual actinides can be overridden using: set fissh

... where is the actinide ZAI is the heating value Power density, instead of power can be used for source normalization by setting: set powdens where is the average power density (kW/g) The value is the total heating power divided by the total initial mass of fissile isotopes. This mass is calculated automatically by the code. If the calculation is not possible, the value must be set manually (see Sec. 8.4.2 on page 112). 5.8 Source rate normalization 63 IMPORTANT NOTES ON SOURCE RATE NORMALIZATION: 1. The source rate normalization affects only integral reaction rates encountered, for example, in detector calculation. Homogenized group constants are unaffected since the normalization cancels out. 2. The default normalization is unit loss rate. It should be noted that the value generally differs from source and generation rates due to neutron-producing reactions. 3. If the geometry is two-dimensional, the values are divided by unit length. The total heating power (W), for example, becomes the linear power (W/cm). 4. Power density is given in units of kW/g, not W/g used in several other codes. The typical order of magnitude for this parameter in LWR calculations is 20E-3 ... 50E-3. SEE ALSO: 1. Definition of irradiation history (Sec. 8.3 on page 110) 2. Discussion on source normalization in Ref. [15] (Sec. 9.4 on page 169). 3. Additional options for source rate normalization in burnup calculation (Sec. 8.4.2 on page 112). = 0 = 2 = 4 = 6 = 8 = 12 Figure 5.1: Symmetry options. 5.9 Group constant generation 5.9 64 Group constant generation The universes in which the group constants are calculated can be set by: set gcu ... where are the universe numbers The homogenization is carried out in the given universes and all higher universes accessed from lattices and filled cells. The results are printed in the output file (see Sec. 6.1 on page 77) using a different run index for each universe in the list. The default is = 0, i.e. a single universe that covers the entire geometry. It should be noted that the universe options affect only some of the output parameters, mainly the homogenized group constants. The methodology was included in code version 1.1.5 and is still under development. The statistical error in assembly discontinuity factors can be reduced by taking advantage of the symmetry of the geometry. The symmetry option is set by: set sym where is the symmetry option The available symmetries are illustrated in Figure 5.1. Options 2, 4 and 8 are used with square lattice geometries and options 6 and 12 with hexagonal geometries. Default option is 0 (no symmetry). All group constants are generated using the same few-energy group structure. The default structure consists of two energy groups: fast group above 0.625 eV and thermal group below that. This can be overridden by setting the group boundaries manually: set nfg [ ...] where ... is the number of energy groups are the group boundaries (in MeV) The boundaries are listed in ascending order without the upper and lower limits and the number must be consistent with the number of given values ( - 1 values for groups). When it comes to multiplying scattering reactions, such as (n,2n), (n,3n) or (n, 2nα), there is some ambiguity in the way group-to-group scattering matrices and removal cross sections are defined and used in nodal diffusion codes. The first option is to reflect only the scattering rate, i.e. to disregard the number of neutrons produced in each reaction. In this case, the sum of each matrix column equals the group-wise 5.9 Group constant generation 65 total scattering cross section: G X Σs,g→h = Σs,g = Σela,g + Σinl,g + Σ2n,g + Σ3n,g + · · · = Σtot,g − Σcapt,g − Σfiss,g . h=1 The second option is to include neutron production in the cross sections, so that the product of group flux and the corresponding group-transfer cross section yields the rate at which neutrons enter group h from scattering reactions in group g, taking into account the multiplication in (n,xn) reactions. The summation to total scattering cross section no longer holds. Serpent versions from 1.1.15 on calculate both matrixes (see Sec. 6.1.23). The definition of the scattering matrix also affects the removal cross section: Σrem,g = Σtot,g − Σs,g→g , and the whether production of secondary neutrons is included or not is selected by: set remxs where is the scattering matrix option (0 = include only scattering rate, 1 = include also production) The option is available from version 1.1.15 on. The methods used in previous versions correspond to option 0. Option 1 is currently used as the default. IMPORTANT NOTES ON GROUP CONSTANT GENERATION: 1. The methodology has been thoroughly tested only in cases where group constants are homogenized over the entire geometry. The calculation may produce incorrect results for diffusion coefficients and assembly discontinuity factors if the homogenization is restricted to a higher universe. 2. The list of universes given after the gcu option is exclusive. If a collision point is located in several universes in the list, only the highest universe is scored. 3. The use of the symmetry option will lead to erroneous results if the geometry is not truly symmetric. 4. The listed energy values cover only the group boundaries between the minimum and maximum energy of the cross section data. The absolute boundary values are defined in the reconstruction of the master energy grid. 5. The energy groups are indexed in increasing lethargy (decreasing energy) (1 = highest group, = lowest group). SEE ALSO: 5.10 Full-core power distributions 66 1. Setting the master energy grid (Sec. 5.3 on page 55) 2. Group constant output (Sec. 6.1 on page 77) 5.10 Full-core power distributions Serpent can calculate assembly or pin-wise power distributions in full-core simulations. This option is set by: set cpd [ ] where is the number of levels included is the number axial bins is the lower axial boundary is the upper axial boundary The level argument determines whether the calculation is carried out at assembly only (1) or both assembly and pin-levels (2). The axial variables determine the number and location of bins in the z-direction. The code calculates integral fission power inside nested lattice structures (core and assembly lattices). The output data is printed in a separate file named “_core.png”, where is the name of the input file and is the burnup step. IMPORTANT NOTES ON FULL-CORE POWER DISTRIBUTIONS: 1. This is an experimental feature, available from version 1.1.8 on. The routine has not been thoroughly tested. The results may not be considered reliable, especially when used in combination with the the track-length estimator option. 2. When used in full 3D mode with axial binning, the routine produces very large output files. SEE ALSO: 1. The track-length estimator option (Sec. 5.18 on page 74) 5.11 Delta-tracking options The Woodcock delta-tracking tracking method used by Serpent loses its efficiency in the presence of localized heavy absorbers, such as control rods or burnable absorber pins. To overcome this problem, the code switches to the conventional surface-to-surface ray-tracing 5.11 Delta-tracking options 67 when the probability of sampling a physical collision falls below a user-defined threshold. The value is set by: set dt where is the delta-tracking threshold value This parameter determines the probability limit below which the delta-tracking method is used (0 = never, 1 = always).4 Finding the optimal value for the threshold parameter can only be accomplished by trial and error. The default value is 0.9, which seems to work well for most cases. Serpent also has a built-in optimization routine that tries to find the best value for the cut-off criterion. From version 1.1.9 on the optimization handles each material separately, which has shown to improve the efficiency at least in some complicated HTGR full-core geometries. The optimization is switched on by giving a negative threshold value. This value also serves as the initial guess, so = -0.9 is the recommended choice for optimization. The use of delta-tracking can be blocked in given materials by setting: set blockdt ... where ... are the materials where delta-tracking will not be used The tracking routine in serpent selects between surface and delta-tracking, based on the cutoff criterion described above. Some geometries may run faster, however, if surface tracking is always used in very large material regions comprised of simple cells. A good example of such region is the outer reflector in a full-core geometry. It should be noted, however, that this option may also impair the efficiency if not properly used. IMPORTANT NOTES ON DELTA-TRACKING: 1. The cut-off value is set to 0.9 by default in code version 1.1.1 and later. Earlier versions use the optimization by default. The optimization routine was changed in update 1.1.9 to handle each material separately. 2. The optimization has not been thoroughly tested and the methodology is not guaranteed to result in the optimal threshold value in terms of CPU time. 3. The code should always yield consistent results with and without delta-tracking. If any discrepancies are observed, please report them by e-mail to Jaakko.Leppanen@vtt.fi 4. The block option is available from version 1.1.8 on. 4 The delta-tracking method is essentially a rejection probability sampling technique, and the threshold parameter determines the highest rejection probability at which the method is used. If the probability is higher than the threshold value, the code switches to the conventional ray-tracing method. 5.12 Cross section data plotter 68 SEE ALSO: 1. Description of the basic Woodcock delta-tracking method in Ref. [15] (Sec. 5.3.3 on page 100). 2. Description of the extended delta-tracking method used in PSG in Ref. [15] (Sec. 8.3.1 on page 149). NOTE: The described methods are partially outdated. 3. A more recent description of the method is found in Ref. [18]. 5.12 Cross section data plotter Serpent has the option to plot all cross sections in a matlab m-file format. The cross section data plotter is activated using: set xsplot [ ] where is the number of energy points in plot is the lower limit of the energy grid (MeV) is the upper limit of the energy grid (MeV) The energy grid used for the plot is uniform with respect to the lethargy variable. The plotter produces a file “_xs.png”, where is the name of the input file and is the burnup step. The file contains the energy grid vector, isotopic reaction cross sections, material total cross sections and fission nubars. 5.13 Fission source entropy The fission source entropy for convergence studies is calculated by default and the total entropy is divided in x-, y- and z-components. The entropy mesh is set by: set entr [ ] where is the number of x bins is the number of y bins is the number of z bins is the minimum x-coordinate in mesh is the maximum x-coordinate in mesh is the minimum y-coordinate in mesh is the maximum y-coordinate in mesh is the minimum z-coordinate in mesh is the maximum z-coordinate in mesh 5.14 Soluble absorber 69 The source entropies are written in the history output file as function of criticality cycle. SEE ALSO: 1. History output (Sec. 6.2 on page 94) 2. Discussion on fission source entropy in Ref. [14]. 5.14 Soluble absorber Materials with soluble absorber, most commonly boron in light water, can be defined by mixing two material compositions. This is considerably simpler than explicitly listing the associated isotopic fractions. The soluble absorber is defined using: set abs ... where ... is the soluble absorber material name is the absorber concentration are the materials where the absorber is dissolved The code mixes material “” into materials “”, “” ... in concentration defined by “”. Positive concentrations refer to atomic fractions and negative concentrations to mass fractions. A simple example is given in the VVER-440 calculation case in Sec. 11.1.1 on page 134. The absorber concentration can be changed during burnup calculation by re-defining the value between burnup intervals. The first value is used during the first interval, the second during the second interval and so on. IMPORTANT NOTES ON SOLUBLE ABSORBER: 1. If soluble absorber is used with multiple materials, all must share the same isotopic composition. 2. Only the total absorption channel of the absorber material is used and fission, scattering and all the other reaction modes are discarded. This is a good approximation if the concentration is low and the material is high-absorbing. The maximum concentration for natural boron in water is around few-thousand ppm per weight. If the concentration is higher, it is better to determine the isotopic composition explicitly. 3. The methodology is available from code version 1.0.2 on. SEE ALSO: 1. Definition of irradiation history (Sec. 8.3 on page 110) 5.15 Iteration 5.15 70 Iteration keff can be iterated to a desired value by allowing the variation in some geometry, material or physics variable. Iteration is defined by: set iter [ ] where is the iteration mode is the target keff is the leakage spectrum mode (B1 -iteration only) is number of energy bins in the spectrum (B1 -iteration only) The iteration modes are: – Iteration of soluble absorber concentration, = “abs” – α-eigenvalue calculation, = “alpha” – Iteration of albedo boundary condition, = “albedo” – B1 iteration, = “B1” The soluble absorber iteration works by varying the concentration of soluble absorber (see Sec. 5.14) to yield the desired keff . The α-eigenvalue mode is a standard transport technique that allows time-absorption or -multiplication to balance neutron source and loss rates. The “cross section” for the reaction is equal to the α-eigenvalue divided by neutron speed. The calculation is basically equivalent with a time-dependent simulation. The albedo boundary condition iteration is an attempt to simulate the effects of neutron leakage in an infinite-lattice geometry. The method works by sampling leakage (k > 1) or multiplication reactions (k < 1) each time a neutron crosses a repeated or periodic boundary. It should be noted that this method is highly experimental, and does not have physical foundation similar to deterministic leakage models. The second experimental leakage model is the B1 iteration. The method works similar to the α-eigenvalue simulation: leakage absorption or multiplication reactions are introduced to balance neutron source and loss rates. The cross section for the reaction is equal to the B1 -factor multiplied by the leakage spectrum, given by the energy-dependence of the volume-integrated diffusion coefficient. Since the diffusion coefficient cannot be defined as a continuous-energy parameter, the code calculates a fine-group spectrum using an estimate based on the diffusion area and the removal cross section ( = 1) or the P1approximation ( = 2). The energy variable is divided into equal lethargywidth bins (default = 500). IMPORTANT NOTES ON ITERATION: 5.16 Fundamental mode calculation 71 1. When iteration is used in burnup calculation mode, the procedure is repeated independently for each burnup step. 2. Soluble absorber must be defined in the absorber iteration mode. 3. The α-eigenvalue calculation, albedo iteration and B1 mode are available from update 1.1.5 on. 4. The albedo- and B1 -iteration modes are experimental, rather than standard Monte Carlo techniques. The theory is not on a particularly solid foundation and the results are generally not satisfactory when compared to deterministic calculations. 5. The B1 iteration mode must not be confused with the fundamental mode calculation, discussed in Section 5.16. 6. The α-eigenvalue simulation is a widely-used method, but the implementation in Serpent has not been validated. The mode does not account for delayed neutron emission. 7. Some of the keff estimates are different from a standard calculation, depending on the iteration mode used. SEE ALSO: 1. Definition of soluble absorber (Sec. 5.14 on page 69) 2. Ref. [19] and Sec. 5.5.2 in Ref. [15] for discussion on the α-eigenvalue method. 3. Diffusion coefficients in output (Sec. 6.1.27 and 6.1.29). 4. Discussion on neutron leakage models in Monte Carlo calculation in Sec. 9.5 in Ref. [15] 5.16 Fundamental mode calculation The fundamental mode calculation can be considered as an intermediate solution to the criticality spectrum problem, until the development of a valid Monte Carlo based leakage correction. The calculation consists of two stages. First, the Monte Carlo simulation is run to produce homogenized micro-group cross sections for B1 equations. The solution of these equations yields the criticality spectrum, which is used to re-homogenize the cross sections. The syntax is: set fum where is the micro-group structure used for the calculation The energy grid determines the micro-group structure used to form the B1 equations and it is set up using the “ene” parameter (see Sec. 7.1.2). The method produces a separate set of 5.17 Equilibrium xenon calculation 72 output parameters (see Sec. 6.1.30) and does not affect the values of other group constants. The energy group boundaries in the few-group structure must match the boundaries in the micro-group structure. IMPORTANT NOTES ON FUNDAMENTAL MODE CALCULATION: 1. The fundamental mode calculation is available from version 1.1.14 on. The spectrum correction affects only a set of separately produced few-group constants. Extending the correction to burnup calculation is under development. 2. The group boundaries in the few-group structure must match the boundaries in the micro-group structure. 3. Relative statistical errors are not included in the results. 4. The fundamental mode calculation must not be confused with the experimental B1 iteration, discussed in Section 5.15. SEE ALSO: 1. Definition of energy grids (Sec. 7.1.2 on page 99). 2. Output parameters for fundamental mode calculation (Sec. 6.1.30 on page 92). 3. Definition of the few-group structure (Sec. 5.9 on page 64). 5.17 Equilibrium xenon calculation Serpent can iterate the concentration of fission product poison Xe-135 to an equilibrium value in transport or burnup calculation. The equilibrium xenon calculation is set by: set xenon [ ...] where ... is the calculation mode (0 = off, 1 = on) are the materials involved in the calculation The mode option is followed by a list of materials for which the calculation is turned on or off. If no list is given, the option affects all fissile materials. Each material is handled separately. The calculation is based on the production rates of Xe-135 and its precursors (I-135, Te-135, Sb-135 and Sn-135), the absorption rate of Xe-135 and the radioactive decay of the isotopes. The production and absorption rates are normalized to source rate. The decay and fission yield data are read from external libraries, similar to a burnup calculation. IMPORTANT NOTES ON EQUILIBRIUM XENON CALCULATION: 5.18 Miscellaneous parameters 73 1. The equilibrium concentration depends on source rate normalization. 2. When used in the burnup calculation mode, the concentration of Xe-135 is handled separate from the other nuclides. The equilibrium concentration is copied in the depletion output. 3. The capability was included in code version 1.1.9 and currently it may not work with unresolved resonance probability table sampling, soluble absorbers or k-eff iteration. SEE ALSO: 1. Source rate normalization (Sec. 5.8 on page 61) 2. Setting the decay and fission yield library file paths (Sec. 8.4 on page 111) 5.18 Miscellaneous parameters A title string for the calculation can be set using set title "" where is the title string This text string is reproduced in the output files together with date and time and version information. The Monte Carlo simulation uses a sequence of random numbers, generated from an initial seed value. This seed is by default taken from system time. The calculation can be reproduced using the “replay” command line option, which forces the code to use the same seed as in the previous run. The seed value can also be set manually using: set seed where is the seed value (a large integer) Temperatures used in the free-gas model for elastic scattering are read from the ACE format data. The free-gas temperatures in cells can be overridden by defining a list of cell temperatures: set ctmp ... where are the cell names are the temperatures User-defined variables can be set up for labeling different runs. The syntax is: 5.18 Miscellaneous parameters 74 set var where is the variable name is the value The variable name and value are printed in the main output (see Sec. 6.1 on page 77). The type (numeric or string) is identified from the value. The use of track-length flux estimate can be forced in place of the collision estimator using: set tle where is the option (1 = use tle, 0 = use cfe) If the track-length estimator is used, delta-tracking is switched off. By default, Serpent uses various pre-calculated summation cross sections for each material to speed-up the transport simulation. This increases the overall memory demand per material, which may become a limiting factor in burnup calculation. To reduce the demand, the calculation can be switched off using: set sumxs where is the option (1 = use pre-calculated cross sections, 0 = calculate cross sections on-the-fly) It should be noted that switching off the option results in an increase in the overall calculation time. The option is available from version 1.1.13 on. The emission of delayed neutrons can be swithed on and off using: set delnu where is the option (1 = emission on, 0 = emission off) This option was added in version 1.1.16. Delayed neutron emission is on by default in criticality source problems and off in external source problems. Calculation of fission product poison cross section (production of I-135, Xe-135, Pm-149 and Sm-149 and absorption of Xe-135 and Sm-149) can be switched on and off by setting: set poi "" where is the option (0 = off, 1 = on) Calculation is off by default. Switching the mode on requires setting the file path for fission yield data (see Sec. 8.4.1). This feature is available from version 1.1.17 on. SEE ALSO: 5.18 Miscellaneous parameters 1. Running the code in replay mode (Sec. 1.2 on page 9) 2. Main output file (Sec. 6.1 on page 77) 75 5.18 Miscellaneous parameters 76 Table 5.1: List of parameters and options. Option pop nbuf egrid dix acelib ures dbrc bc usym genrate srcrate fissrate absrate lossrate flux power powdens U235H fissh gcu sym nfg remxs cpd dt blockdt xsplot entr abs iter fum xenon title seed ctmp var tle sumxs delnu poi (3-4) (1) (1-3) (1) (1) (1-N) (3-N) (1) (2-4) (1) (1) (1) (1) (1) (1) (1) (1) (1) (1-N) (1) (1) (1-N) (1) (1) (1) (1) (1-4) (1-9) (3-N) (2) (2) (1-N) (1) (1) (1) (1) (1) (1) (1) (1) Description population size and number of cycles source buffer energy grid reconstruction double indexing of energy grids file path for xs library directory file probability table treatment for ures data DBRC correction for scattering kernel boundary conditions universe symmetry source normalisation to generation rate source normalisation to source rate source normalisation to fission rate source normalisation to absorption rate source normalisation to loss rate source normalisation to total flux source normalisation to total heating power source normalisation to power density heating value for U-235 fission fission heating values for individual actinides universe for homogenization symmetry option few-group structure for homogenization scattering matrix used with removal cross section full-core power distributions delta-tracking threshold delta-tracking block cross section data plot file parameters for source entropy calculation soluble absorber keff iterations fundamental mode calculation equilibrium Xe-135 calculation case title random number seed value override cell temperatures user-defined variable track-length estimate of neutron flux use pre-calculated summation cross sections switch delayed neutron emission on and off 5.18 fission product poison cross sections 5.18 Section 5.2 5.2 5.3 5.3 5.4 5.5 5.6 5.7 5.7 5.8 5.8 5.8 5.8 5.8 5.8 5.8 5.8 5.8 5.8 5.9 5.9 5.9 5.9 5.10 5.11 5.11 5.12 5.13 5.14 5.15 5.16 5.17 5.18 5.18 5.18 5.18 5.18 5.18 74 74 Page 53 53 55 56 57 58 59 59 60 61 61 61 61 62 62 62 62 62 62 64 64 64 65 66 67 67 68 68 69 70 71 72 73 73 73 74 74 74 Chapter 6 Output 6.1 Main output file The main output file contains all results calculated by default during the transport cycle. User-defined detectors produce another file, described in Section 7.2 on Page 105. Inventory data in burnup calculation is discussed in Section 8.5 on Page 116. The file is named “_res.m”, where “” is the name of the input file. The data is written in matlab m-file format to simplify the simultaneous post-processing of several files. Each parameter is read to a variable (scalar or vector) and a run index “idx” is assigned to each file. Each time a new file is read, the index is first increased by, 1 so that the new data is placed on the next line in the result matrix. The following Octave example illustrates the procedure:1 octave:1> idx = 0 idx = 0 octave:2> run1_res; octave:3> FISSXS FISSXS = 0.0160550 0.0005253 0.0033174 0.0006745 0.0863956 0.0005001 octave:4> run2_res; octave:5> FISSXS FISSXS = 0.0160550 0.0005253 0.0033174 0.0006745 0.0863956 0.0005001 0.0158454 0.0005277 0.0032059 0.0006817 0.0833996 0.0005078 1 GNU Octave is a Matlab-compatible open-source language for numerical computations. 77 6.1 Main output file 78 octave:6> run3_res; octave:7> FISSXS FISSXS = 0.0160550 0.0005253 0.0033174 0.0006745 0.0863956 0.0005001 0.0158454 0.0005277 0.0032059 0.0006817 0.0833996 0.0005078 0.0119486 0.0005737 0.0031909 0.0005741 0.0694696 0.0005300 Three input files: “run1_res.m”, “run2_res.m” and “run3_res.m” are read and the data from each file is placed on a different row in the variables. Variable “FISSXS” is the homogenized fission cross section, calculated in this case using a two-energy group structure. The first two columns are the total (one-group) value and the associated relative statistical error, respectively. The following four columns contain the same data for the two energy groups in ascending order. Output data in burnup calculation is written in a single file. The run index is updated for each burnup step. The variables in the main output file are listed in the following. 6.1.1 Version, title and date Parameter VERSION TITLE DATE Values 1 1 1 Description Code version used in calculation Case title Date and time at the beginning Parameter POP CYCLES SKIP SRC_NORM_MODE Values 1 1 1 1 SEED MPI_TASKS MPI_MODE DEBUG CPU_TYPE CPU_MHZ AVAIL_MEM 1 1 1 1 1 1 1 Description Number of source neutrons per cycle Number of active cycles Number of inactive cycles Fission source normalization mode (1 = preserve size, 2 = preserve weight) Random number seed Number of MPI taks in parallel calculation Results collection in MPI mode Debug mode flag (1 = yes, 0 = no) CPU type CPU MHz Available memory in Mb 6.1.2 Run parameters NOTES: 6.1 Main output file 79 1. In parallel calculation mode, the number of source neutrons per cycle is the number for each parallel task. 2. CPU type and MHz are read from /proc/cpuinfo and available memory from /proc/meminfo. 6.1.3 File paths Parameter XS_DATA_FILE_PATH DECAY_DATA_FILE_PATH NFY_DATA_FILE_PATH Values 1 1 1 Description Cross section directory file path Decay data file path Fission yield data file path NOTES: 1. Only the first given xs directory file path is printed 6.1.4 Delta-tracking parameters Parameter DT_THRESH DT_FRAC Values 1 1 DT_EFF MIN_MACROXS 1 1 Description Probability thresold for using delta-tracking Fraction of path lengths sampled using deltatracking Efficiency of DT rejection algorithm Minimum macroscopic cross section for sampling the collision distance 6.1 Main output file 6.1.5 80 Run statistics Parameter TOT_CPU_TIME RUNNING_TIME CPU_USAGE Values 1 1 1 INIT_TIME 1 TRANSPORT_CYCLE_TIME BURNUP_CYCLE_TIME 1 1 PROCESS_TIME 1 CYCLE_IDX SOURCE_NEUTRONS MEAN_POP_SIZE MEMSIZE SIMULATION_COMPLETED 1 1 1 1 1 Description Total CPU time Cumulative total running time (wall-clock) CPU usage (ratio of CPU time to wall-clock time) Total initialization time before transport or burnup cycle Cumulative transport cycle running time Cumulative time used for solving the depletion equations Cumulative time used for data processing between transport cycles Current cycle index Number of simulated source neutrons Mean population size Size of allocated memory block in megabytes Flag to idicate that all neutron histories are run (1 = yes, 0 = no) NOTES: 1. The total RUNNING_TIME is the sum of INIT_TIME, PROCES_TIME, TRANSPORT_CYCLE_TIME and BURNUP_CYCLE_TIME. 6.1.6 Energy grid parameters Parameter ERG_EMIN ERG_EMAX ERG_TOL ERG_NE ERG_NE_INI ERG_NE_IMP ERG_DIX USE_DBRC Values 1 1 1 1 1 1 1 1 Description Minimum energy in unionized grid (MeV) Maximum energy in unionized grid (MeV) Fractional grid reconstruction tolerance Number of grid points Number of grid points before thinning Number of important grid points Double indexed energy grids (1 = yes, 0 = no) Doppler-broadening rejection correction (1 = yes, 0 = no) 6.1 Main output file 6.1.7 81 Unresolved resonance data Parameter URES_MODE URES_DILU_CUT URES_EMIN Values 1 1 1 URES_EMAX 1 URES_AVAIL URES_USED 1 1 6.1.8 Description Probability table sampling mode Infinite dilution cut-off Minimum energy for unresolved resonance probability table data (MeV) Maximum energy for unresolved resonance probability table data (MeV) Number of isotopes with ures data available Number of isotopes with ures data used Nuclides and reaction channels Parameter TOT_ISOTOPES TOT_TRANSPORT_ISOTOPES Values 1 1 TOT_DECAY_ISOTOPES 1 TOT_REA_CHANNELS TOT_TRANSMU_REA 1 1 Description Total number of isotopes Total number of isotopes with cross section data Total number of isotopes without cross section data Total number of reaction channel Total number of transmutation reactions NOTES: 1. TOT_REA_CHANNELS includes neutron reactions only, no decay. 6.1 Main output file 6.1.9 82 Reaction mode counters Parameter COLLISIONS FISSION_FRACTION CAPTURE_FRACTION ELASTIC_FRACTION INELASTIC_FRACTION ALPHA_FRACTION Values 1 1 1 1 1 1 BOUND_SCATTERING_FRACTION NXN_FRACTION UNKNOWN_FRACTION VIRTUAL_FRACTION FREEGAS_FRACTION 1 1 1 1 1 TOTAL_ELASTIC_FRACTION 1 FISSILE_FISSION_FRACTION LEAKAGE_REACTIONS REA_SAMPLING_EFF 1 1 1 Description Total number of collisions Fraction of fission reactions Fraction of capture reactions Fraction of elastic scattering reactions Fraction of inelastic scattering reactions Fraction of time-absorption or -multiplication reactions in α-eigenvalue calculation mode Fraction of bound atom scattering reactions Fraction of (n,xn) reactions Fraction of unsampled reactions Fraction of virtual collisions Fraction of free-gas elastic scattering reactions Fraction of free and bound atom elastic scattering reactions Fraction of fission reactions in fissile isotopes Number of leakage reactions Reaction mode sampling efficiency NOTES: 1. Leakage in B1 and albedo iteration modes is counted in LEAKAGE_REACTIONS 6.1.10 Slowing-down and thermalization Parameter COL_SLOW Values 2 COL_THERM 2 COL_TOT SLOW_TIME THERM_TIME SLOW_DIST THERM_DIST THERM_FRAC 2 2 2 2 2 2 Description Average number of collisions before thermalization Average number of collisions after thermalization Average total number of collisions Average slowing-down time Average thermal life time Average slowing-down distance Average thermal migration distance Average fraction of neutrons reaching thermalization 6.1 Main output file 6.1.11 83 Parameters for burnup calculation Parameter BURN_MODE BURN_STEP BURN_TOT_STEPS BURNUP BURN_DAYS ENERGY_OUTPUT DEP_TTA_CUTOFF DEP_STABILITY_CUTOFF DEP_FP_YIELD_CUTOFF DEP_XS_FRAC_CUTOFF DEP_XS_ENERGY_CUTOFF BURN_MATERIALS FP_NUCLIDES_INCLUDED Values 1 1 1 1 1 1 1 1 1 1 1 1 1 FP_NUCLIDES_AVAILABLE 1 TOT_ACTIVITY TOT_DECAY_HEAT TOT_SF_RATE ACTINIDE_ACTIVITY ACTINIDE_DECAY_HEAT FISSION_PRODUCT_ACTIVITY FISSION_PRODUCT_DECAY_HEAT 1 1 1 1 1 1 1 DH_N_PREC DH_PREC_BOUNDS DH_PREC_LAMBDA DH_PREC_HEAT 1 Jd + 1 Jd Jd Description Burnup mode (1 = TTA, 2 = CRAM) Burnup step index Total number of burnup steps Burnup at current step (in MWd/kgU) Number of burn days at current step Total cumulative energy output (in J) TTA cut-off value Stability cut-off value Fission product yield cut-off value Depletion fraction cut-off value Depletion reaction energy cut-off value Number of depleted materials Total number of fission product nuclides included in the calculation Total number of fission products available before yield cut-off Total activity at current step Total decay heat at current step (in W) Total spontaneous fission rate Actinide activity at current step Actinide decay heat at current step (in W) Fission product activity at current step Fission product decay heat at current step (in W) Number of decay heat precursor groups Decay heat precursor group boundaries Decay heat group-wise decay constants Decay heat group-wise heat production (in W) NOTES: 1. Precursor-group wise decay heat production is available from version 1.1.17 on. The option for setting the group boundaries is described in Sec. 8.4.8. 6.1.12 Fission source entropies Parameter ENTROPY_X ENTROPY_Y ENTROPY_Z ENTROPY_TOT Values 2 2 2 2 Description X-component of fission source entropy Y-component of fission source entropy Z-component of fission source entropy Total fission source entropy 6.1 Main output file 6.1.13 Fission source center Parameter SOURCE_X0 SOURCE_Y0 SOURCE_Z0 6.1.14 84 Values 2 2 2 Description X-coordinate of fission source center Y-coordinate of fission source center Z-coordinate of fission source center Values 1 1 Description Atomic fraction of soluble absorber Mass fraction of soluble absorber Soluble absorber Parameter SOLU_ABS_AFRAC SOLU_ABS_MFRAC NOTES: 1. The values are printed only if soluble absorber defined (see Sec. 5.14 on page 69). 6.1.15 Iteration Parameter ITER_MODE ITER_KEFF ITER_VAR B1_MODE Values 1 1 2 1 B1_NE 1 B1_ERG B1_SPECTR B1_NE B1_NE Description Iteration mode Target keff for iteration Iteration variable Method used for calculating leakage spectrum in B1 iteration mode Number of equal lethargy-width bins in the leakage spectrum Energy bin limits for the leakage spectrum Cycle-averaged leakage spectrum NOTES: 1. The values are printed only if iteration is in use (see Sec. 5.15 on page 70). 6.1.16 Equilibrium Xe-135 calculation Parameter XE135_EQUIL_CONC I135_EQUIL_CONC NOTES: Values 2 2 Description Equilibrium Xe-135 concentration Equilibrium I-135 concentration 6.1 Main output file 85 1. The values are printed only if xenon iteration is in use (see Sec. 5.17 on page 72). 2. The concentrations are averaged over all regions involved in the iteration 6.1.17 Criticality eigenvalues Parameter ANA_KEFF IMP_KEFF COL_KEFF ABS_KEFF ABS_KINF ABS_GC_KEFF Values 2 2 2 2 2 2 ABS_GC_KINF 2 EXT_K 10 IMPL_ALPHA_EIG FIXED_ALPHA_EIG 2 2 GEOM_ALBEDO 2 Description Analog estimate of keff Implicit estimate of keff Collision estimate of keff Absorption estimate of keff Absorption estimate of k∞ Absorption estimate of keff in group constant generation universe Absorption estimate of k∞ in group constant generation universe External source multiplication factor in 5 generations Implicit estimate of α-eigenvalue Fixed or iterated value in α-eigenvalue calculation Fixed or iterated value for albedo NOTES: 1. The absorption estimate of keff is currently used as the implicit estimate. 2. External source multiplication factor is not printed in criticality source mode. 6.1 Main output file 6.1.18 86 Normalization Parameter TOT_POWER TOT_GENRATE TOT_FISSRATE TOT_ABSRATE TOT_LEAKRATE TOT_LOSSRATE TOT_SRCRATE TOT_FLUX TOT_RR TOT_SOLU_ABSRATE TOT_XE135_ABSRATE TOT_FMASS TOT_POWDENS BURN_POWER BURN_GENRATE BURN_FISSRATE BURN_ABSRATE BURN_FLUX BURN_FMASS BURN_POWDENS BURN_VOLUME Values 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 1 2 1 Description Total power Total neutron generation rate Total fission rate Total absorption rate Total leakage rate Total loss rate Total source rate Total flux Total reaction rate Total absorption rate in soluble absorber Total absorption rate in Xe-135 Total fissile mass Total power density Power in burnable materials Neutron generation rate in burnable materials Fission rate in burnable materials Absorption rate in burnable materials Flux in burnable materials Fissile mass in burnable materials Power density in burnable materials Total combined volume of all burnable materials NOTES: 1. Normalization is set by the user (see Sec. 5.8 on page 61). 2. By default, the loss rate is normalized to unity. 3. Total power density is printed only if total fissile mass is calculated or given by the user. 4. Parameters in burnable materials are printed only in burnup calculation mode. 5. Total (external) source rate is not printed in criticality source mode. 6. Xe-135 absorption rate is printed only in equilibrium xenon mode. 7. All flux values are divided by volume 6.1 Main output file 6.1.19 87 Point-kinetic parameters Parameter ANA_PROMPT_LIFETIME IMPL_PROMPT_LIFETIME ANA_REPROD_TIME IMPL_REPROD_TIME DELAYED_EMTIME Values 2 2 2 2 2 Description Analog estimate of prompt neutron lifetime Implicit estimate of prompt neutron lifetime Analog estimate of neutron reproduction time Implicit estimate of neutron reproduction time Mean delayed neutron emission time NOTES: 1. The neutron reproduction time is also commonly known as the “neutron generation time”. 2. The analog estimates and delayed neutron emission time are calculated for the entire geometry. The implicit estimates are calculated in the universe set by the user. 6.1.20 Six-factor formula Parameter SIX_FF_ETA Values 2 SIX_FF_F SIX_FF_P SIX_FF_EPSILON SIX_FF_LF SIX_FF_LT SIX_FF_KINF SIX_FF_KEFF 2 2 2 2 2 2 2 Description Average number of neutrons emitted per thermal neutron absorbed in fuel Thermal utilization factor Resonance escape probability Fast fission factor Fast non-leakage probability Thermal non-leakage probability Six-factor k∞ (four-factor keff ) Six-factor keff NOTES: 1. The parameters are calculated using simple analog estimates and inteded mainly for the demonstration of basic reactor physics phenomena. 6.1.21 Delayed neutron parameters Parameter USE_DELNU PRECURSOR_GROUPS BETA_EFF BETA_ZERO DECAY_CONSTANT Values 1 1 2Jd + 2 2Jd + 2 2Jd + 2 Description Delayed neutron emission (0 = off, 1 = on) Number of delayed neutron precursor groups Effective delayed neutron fraction Physical dealyed neutron fraction Precursor group-wise decay constants 6.1 Main output file 88 NOTES: 1. The number of precursor groups Jd depends on data. The usual number is 6 or 8. The first two entries refer to the total value and the associated relative statistical error. 2. Since different precursor group structures cannot be combined, the number of groups is fixed to the value used in the first actinide in the input. Delayed neutron emission is entirely omitted for nuclides using a different group structure. 6.1.22 Parameters for group constant generation Parameter GC_UNI GC_SYM GC_NE GC_BOUNDS 6.1.23 Values 1 1 1 G+1 Description Universe for group constant generation Symmetry option Number of energy groups Group boundaries Few-group cross sections Parameter FLUX LEAK TOTXS FISSXS CAPTXS ABSXS RABSXS ELAXS INELAXS SCATTXS SCATTPRODXS N2NXS REMXS NUBAR NSF Values 2G + 2 2G + 2 2G + 2 2G + 2 2G + 2 2G + 2 2G + 2 2G + 2 2G + 2 2G + 2 2G + 2 2G + 2 2G + 2 2G + 2 2G + 2 RECIPVEL FISSE 2G + 2 2G + 2 Description Integral flux Leakage rate Total cross section Fission cross section Capture cross section Absorption cross section Reduced absorption cross section Elastic scattering cross section Inelastic scattering cross section Total scattering cross section Total scattering production cross section (n,2n) cross section Group-removal cross section Average number of emitted fission neutrons Fission neutron production cross section (νΣfissg ) Inverse mean neutron speed Average fission heating value (in MeV) 6.1 Main output file 89 MAJOR FLAW IN CALCULATION METHODS: Earlier code versions, including base version 1.1.0, contain a serious flaw in group constant calculation. The collision flux estimator yields zero values in void regions, resulting in a systematic over-prediction of the homogenized values. The problem was fixed in code update 1.1.3. NOTES: 1. The first two entries are the total (one-group) value and the associated relative statistical error. The remaining 2G entries are few-group values. 2. The normalization of group-flux does not work in the pre-release version 1.0.0 of the Serpent code (corrected in version 1.0.1). The one-group value should be equal to variable TOT_FLUX (see Sec. 6.1.18). 3. All cross sections are macroscopic. 4. Capture cross section includes all (n,0n) reactions. 5. Absorption cross section includes capture and fission. 6. Elastic scattering includes thermal bound-atom reactions. 7. Group-removal cross section includes absorption and scattering out of the energy group. Option to include neutron multiplication was added in version 1.1.15 (see Sec. 5.9). 8. Reduced absorption cross section is defined as absorption minus production in (n,xn) reactions. 6.1.24 Fission product poison cross sections Parameter I135PRODXS XE135PRODXS PM149PRODXS SM149PRODXS XE135ABSXS SM149ABSXS Values 2G + 2 2G + 2 2G + 2 2G + 2 2G + 2 2G + 2 Description Production cross section for I-135 Production cross section for Xe-135 Production cross section for Pm-149 Production cross section for Sm-149 Absorption cross section of Xe-135 Absorption cross section of Sm-149 NOTES: 1. The option to switch on the calculation of fission product poison cross sections is described in Sec. 5.18 6.1 Main output file 90 2. All values are microscopic cross sections 3. Available from version 1.1.17 on 6.1.25 Fission spectra Parameter CHI CHIP CHID 6.1.26 Values 2G 2G 2G Description Energy spectrum of all fission neutrons Energy spectrum of prompt fission neutrons Energy spectrum of delayed fission neutrons Group-transfer probabilities and cross sections Parameter GTRANSFP GTRANSFXS GPRODP GPRODXS Values 2G2 2G2 2G2 2G2 Description Group-transfer probability matrix Group-transfer cross section matrix Group-production probability matrix Group-production cross section matrix NOTES: 1. The matrices are given in vector format: P1→1 P2→1 ... PG→1 P1→2 P2→2 ... PG→2 ... Each probability and cross section is followed by the associated relative statistical error. Index for reaction j → i is given by: n = 2(i − 1)G + 2j − 1 2. The production matrixes include neutron multiplication in (n,xn) reactions. 6.1.27 Diffusion parameters Parameter DIFFAREA DIFFCOEF TRANSPXS MUBAR MAT_BUCKLING LEAK_DIFFCOEF NOTES: Values 2G + 2 2G + 2 2G + 2 2G + 2 2G + 2 2G + 2 Description Diffusion area Diffusion coefficient Transport cross section Average scattering angle Material buckling Diffusion coefficient from leakage mode 6.1 Main output file 91 1. The first two entries are the total (one-group) value and the associated relative statistical error. The remaining 2G entries are few-group values. 2. The values are based on the analog estimate of group-wise diffusion area. The results usually differ from the P1 -values below. 3. Leakage diffusion coefficient is defined as buckling divided by leakage, which can be physical or from a leakage model. The theoretical basis is very questionable. 6.1.28 Pn scattering cross sections Parameter SCATT0 SCATT1 SCATT2 SCATT3 SCATT4 SCATT5 Values 2G + 2 2G + 2 2G + 2 2G + 2 2G + 2 2G + 2 Description P0 scattering cross section P1 scattering cross section P2 scattering cross section P3 scattering cross section P4 scattering cross section P5 scattering cross section NOTES: 1. The first two entries are the total (one-group) value and the associated relative statistical error. The remaining 2G entries are few-group values. 6.1.29 P1 diffusion parameters Parameter P1_TRANSPXS P1_DIFFCOEF P1_MUBAR Values 2G + 2 2G + 2 2G + 2 Description Transport cross section Diffusion coefficient Average scattering angle NOTES: 1. The first two entries are the total (one-group) value and the associated relative statistical error. The remaining 2G entries are few-group values. 2. The values are based on the P1 approximation. The results usually differ from values calculated using the analog estimate of diffusion area (see above). 6.1 Main output file 6.1.30 92 B1 fundamental mode calculation Parameter B1_KINF B1_BUCKILNG B1_FLUX B1_TOTXSXS B1_NSF B1_FISSXS B1_CHI B1_ABSXS B1_RABSXS B1_REMXS B1_DIFFCOEF B1_SCATTXS B1_SCATTPRODXS B1_I135PRODXS B1_XE135PRODXS B1_PM149PRODXS B1_SM149PRODXS B1_XE135ABSXS B1_SM149ABSXS Values 1 1 2G + 2 2G + 2 2G + 2 2G + 2 2G 2G + 2 2G + 2 2G + 2 2G + 2 4G2 4G2 2G + 2 2G + 2 2G + 2 2G + 2 2G + 2 2G + 2 Description Iterated multiplication factor Iterated buckling B1 integral flux B1 total cross section B1 fission neutron production cross section B1 fission cross section B1 fission spectrum B1 absorption cross section B1 reduced absorption cross section B1 removal cross section B1 diffusion coefficient B1 scattering matrix B1 scattering production matrix Production cross section for I-135 Production cross section for Xe-135 Production cross section for Pm-149 Production cross section for Sm-149 Absorption cross section of Xe-135 Absorption cross section of Sm-149 NOTES: 1. B1 fundamental mode calculation is performed after the transport cycle using homogenized multi-group cross sections (see Sec. 5.16). 2. The definition of scattering matrix was changed in version 1.1.15 (see Sec. 5.9). 3. Reduced absorption cross section is defined as absorption minus production in (n,xn) reactions. 4. Scattering production matrix includes neutron multiplication in (n,xn) reactions. 5. The option to switch on the calculation of fission product poison cross sections is described in Sec. 5.18 6. The capability is available from version 1.1.14 on. Some parameters were added in versions 1.1.15 and 1.1.17. 6.1 Main output file 6.1.31 93 Assembly discontinuity factors Parameter ADFS ADFC Values 2GNV 2GNV Description Surface discontinuity factors Corner discontinuity factors NOTES: 1. The assembly discontinuity factors are calculated only for square and hexagonal cylinder boundaries. The ADF surface is the outermost surface in the universe where the group constants are calculated. 2. The number of vertices NV is 4 for square boundary and 6 for hexagonal boundary. 3. The index for vertice (corner) n and group g is given by: i = 2(n − 1)G + 2g − 1 4. The methodology is tested only group constant generation is extended over the entire geometry. 5. For square assemblies the numbering of vertices is: 1 - West, 2 - North, 3 - East, 4 South and for the corners: 1 - South-West, 2 - South-East, 3 - North-East, 4 - NorthWest. Also note that geometry plots are inverted in the north-south direction. 6.1.32 Power distributions in lattices Parameter LAT POWDISTR FG_POWDISTR Values 3 2NL 2NL (2G + 1) PEAKF 4 Description Lattice type and size Power distribution in lattice Power distribution in lattice divided into energy groups Peaking factor in lattice NOTES: 1. Lattice parameters are calculated for each lattice, regardless of the content. Variable names include the lattice number “”. 2. For square and hexagonal lattices the type and number of rows and columns is given. For cluster-type lattices the entries are type, number of rings and total number of elements. 3. The values in the power distribution are given as a single vector. The order is determined by the universe map in the lattice definition. 6.2 History output 4. Peaking factor gives the position and the peak value in the lattice. 5. Energy-group wise power distribution is calculated from version 1.1.17 on. 6.2 History output 94 Chapter 7 Detectors 7.1 Detector Input Serpent uses the collision estimate of neutron flux for calculating user-defined reaction rates integrated over space and energy: Z Z Ei 1 f (r, E)φ(r, E)d3 rdE . (7.1) R= V V Ei+1 The response function f (r, E) and the spatial and energy domains of the integration are set by the detector parameters.1 The syntax is relatively simple: det ... where ... is the detector name are the detector parameter sets The parameters are listed in Table 7.1 and they can be combined in different ways as described in the following subsections. Some parameters produce multiple results and some may be used several times in the definition. In such a case, the results are divided into a number of separate bins, depending on the combination. The integral in Eq. (7.1) is divided by detector volume, which is set to unity by default. This is because in most cases it is the total reaction rate, not the reaction rate density that is of interest to the user. The volume can be set manually using the “dv” entry. If a negative number is entered, the code uses a value calculated by the geometry routine (when available). 1 To be precise, the integration is also carried over time and space-angle, but user-defined limits can be set for the spatial and energy variables. 95 7.1 Detector Input 96 Table 7.1: Detector parameters. Param. dr dv dc du dm dl de dx dy dz dt ds Description Reaction multiplier Detector volume Detector cell Detector universe Detector material Detector lattice Detector energy grid Detector mesh Detector mesh Detector mesh Detector type Surface current detector Comments Determines the response function Used for normalization Defines the cell where the reactions are scored Defines the universe where the reactions are scored Defines the material where the reactions are scored Defines the lattice where the reactions are scored Defines the energy bins for the response function Defines the x-mesh where the reactions are scored Defines the y-mesh where the reactions are scored Defines the z-mesh where the reactions are scored Special detector types Defines surface for current detector IMPORTANT NOTES ON THE COLLISION FLUX ESTIMATOR: 1. The Serpent code uses the collision estimate of neutron flux, simply because the tracklength estimate is not available when delta-tracking is used for neutron transport. The two estimates are equally well-suited for typical reactor lattice calculations, in which the neutron source is distributed over the entire geometry. The efficiency of the collision estimator becomes poor, however, if reaction rates are calculated inside small or optically thin volumes located in regions of low collision density. This is why the code is not the best choice for dosimetry calculations (see Ref. [20]). On the other hand, the use of the collision estimate requires less computational effort, especially for mesh detectors, which is directly reflected in the overall calculation time. 7.1.1 Setting the Response Function The detector response function determines the type of the calculation. In the simplest case, f = 1, and (7.1) is reduced to the neutron flux integrated over space and energy. If a reaction cross section is used, the result is the corresponding reaction rate. It should be noted that the absolute value of the integral depends on source normalization (see Sec. 5.8). The detector response function is defined by the “dr” entry: det dr where is the detector name is the response function number is the material name (or “void” for void material) 7.1 Detector Input 97 Table 7.2: Detector response functions. For a complete list of ENDF reaction MT’s, see Ref. [6]. Material total reactions ENDF Reaction modes MT 0 -1 -2 -3 -5 -6 -7 -8 -9 1 2 16 17 18 19 20 51 52 ... 90 91 102 103 104 105 106 107 Reaction mode None Total Total capture Total elastic Total (n,2n) Total fission Total fission neutron production Total fission energy deposition Majorant Total Elastic scattering (n,2n) (n,3n) Total fission First-chance fission Second-chance fission Inelastic scattering to 1st excited state Inelastic scattering to 2nd excited state Inelastic scattering to 40th excited state Continuum inelastic scattering (n,γ) (n,p) (n,d) (n,t) (n,3 He) (n,α) If multiple responses are defined for a detector, an equal number of bins are created for the results. The response functions are listed in Table 7.2. Negative entries define total reaction rates related to materials. The total cross section (mt = -1), for example, is calculated from:  Z Z Ei X  1 Σtot,j (r, E)φ(r, E) d3 rdE , (7.2) R= V V Ei+1 j where the summation is carried over all nuclides in the material. If the material entry is set to void, the material at each collision point is used in the calculation. This allows the integration of reaction rates in volumes extending over several material regions. Positive response numbers are related to isotopic, rather than material total reaction rates, 7.1 Detector Input 98 and they correspond to the reaction MT’s used in ENDF format data. The list in Table 7.2 is not complete and a more detailed description is found in Ref. [6]. The detector material for an isotopic response function must consist of a single nuclide. Detector values can be multiplied or divided by other values by setting the detector type to 2 or 3, respectively. The type is then followed by the name of the multiplier or divider detector. The total number of values must be equal for both detectors or the divider / multiplier detector single-valued. EXAMPLES: % Total flux in material "fuel": det 1 dm fuel % Detector materials: mat U235 1.0 92235.09c 1.0 mat U238 1.0 92238.09c 1.0 % Calculate microscopic fission and capture cross sections of % U-235 and U-238 by dividing the reaction rate by total flux: det det det det 2 3 4 5 dm dm dm dm fuel fuel fuel fuel dr 18 U235 dt dr 102 U235 dt dr 18 U238 dt dr 102 U238 dt 3 3 3 3 1 1 1 1 IMPORTANT NOTES ON DETECTOR RESPONSE FUNCTIONS: 1. If multiple response functions are defined for a detector, an equal number of bins are created for the results. 2. Dosimetry cross sections (type 2 or ’y’) can be used with detectors and with detectors only. 3. The ENDF reaction MT numbers are universal and related to isotopic cross sections. These reactions may not be used with materials consisting of more than one nuclide. The result is multiplied by the material atomic density and microscopic reaction rates can be calculated by setting the density to unity. 4. Some high-energy reaction modes, such as (n,3n), are excluded from the transport simulation. These modes are not available in the detector calculation either. All reaction modes are included for dosimetry cross sections. 5. The negative MT numbers are specific to Serpent and not universally defined. The reaction rates are calculated by summing over all nuclides in the material. MCNP also 7.1 Detector Input 99 uses some code-specific negative reaction MT’s, but the interpretations are slightly different. 6. The fission energy deposition function defined by mt = -8 yields the total energy absorbed in the system (in J). This is not equivalent with the fission Q-value (see source normalization in Sec. 5.8). 7. The mt’s 0, -9 and -10 are not material-specific and the entry must be set to void. 8. If the “dr” entry is omitted entirely, the result is the total flux integrated over space and energy. SEE ALSO: 1. Dosimetry cross sections (Sec. 1.4.1 on page 11) 2. Source rate normalization (Sec. 5.8 on page 61) 7.1.2 Setting the Energy Domain The energy boundaries [Ei+1 Ei ] of the integration (7.1) are set by a user-defined energy grid, linked to the detector by the “dt” entry: det de where is the detector name is the grid name The same energy grid definition is also used with B1 fundamental mode calculation (See Sec. 5.16). The number of energy bins is defined by the grid size. There are four types of energy grids 1. arbitrarily defined 2. equal energy-width bins 3. equal lethargy-width bins 4. predefined energy group structure The grid definition has three entry formats: 7.1 Detector Input 100 ene 1 ... ene ene 4 where ... is the grid name is the grid type are the bin boundaries in type 1 grid is the number of bins in type 2 and 3 grids is the minimum energy in type 2 and 3 grids is the maximum energy in type 2 and 3 grids is the name of a predefined structure The predefined energy grid names and descriptions are listed in Table 7.3. Bin boundaries are not listed here, but the values are easily readable in Serpent source file “egroups.c”. The detector energy grid is often used for calculating spectral quantities. There are three special detector types for spectral calculations, determined by the “dt” detector type entry: 1. Cumulative spectrum (“dt -1”) 2. Division by energy width (“dt -2”) 3. Division by lethargy width (“dt -3”) In the default mode, the bin values are independent and undivided. EXAMPLES: % Flux per lethargy using energy grid 1: det 1 de 1 dt -3 % Differential capture, fission and production spectra: det 2 de 1 dt -2 dr -2 void det 3 de 1 dt -2 dr -6 void det 4 de 1 dt -2 dr -7 void % Integral capture, fission and production spectra: det 5 de 1 dt -1 dr -2 void det 6 de 1 dt -1 dr -6 void det 7 de 1 dt -1 dr -7 void 7.1 Detector Input 101 Table 7.3: Predefined energy grid types. Grid name nj2 nj3 nj4 nj5 nj8 nj9 nj11 nj14 nj16 nj17 nj18 nj19 nj20 nj21 nj22 nj23 wms69 wms172 cas70 cas40 cas25 cas23 cas18 cas16 cas14 cas12 cas9 cas8 cas7 cas4 cas3 cas2 mupo43 scale44 scale238 7.1.3 Description csewg 239 group structure lanl 30 group structure anl 27 group structure rrd 50 group structure laser-thermos 35 group structure epri-cpm 69 group structure lanl 70 group structure eurlib 100-group structure vitamin-e 174-group structure vitamin-j 175-group structure xmas 172-group structure ecco 33-group structure ecco 1968-group structure tripoli 315-group structure xmas lwpc 172-group structure vit-j lwpc 175-group structure WIMS 69-group structure (equivalent with nj9) WIMS 172-group structure CASMO 70-group structure CASMO 40-group structure CASMO 25-group structure CASMO 23-group structure CASMO 18-group structure CASMO 16-group structure CASMO 14-group structure CASMO 12-group structure CASMO 9-group structure CASMO 8-group structure CASMO 7-group structure CASMO 4-group structure CASMO 3-group structure CASMO 2-group structure MUPO 43-group structure SCALE 44-group structure SCALE 238-group structure Setting the Spatial Domain There are five options for setting the spatial domain of the integration: 7.1 Detector Input 102 1. By defining the cell where the reaction rates are scored using the “dc” parameter. 2. By defining the universe where the reaction rates are scored using the “du” parameter. 3. By defining the material where the reaction rates are scored using the “dm” parameter. 4. By defining the lattice where the reaction rates are scored using the “dl” parameter. 5. By setting up a one-, two- or three-dimensional mesh using the “dx”, “dy” and “dz” parameters. All these options can be used without restrictions in various combinations. It should be noted, however, that some combinations may result in physically impossible configurations and produce zero results. Detector cells, materials and universes Detector cell, material and universe parameters all work on the same principle: the collision is scored if it occurs inside the cell, material or universe, respectively. A separate bin is created for each entry and the combination of different types creates a combination of bins. The syntax is: det dc dm du where is the detector name is the detector cell is the detector material is the detector universe Detector cells can be either physical or super-imposed on the geometry. Super-imposed cells are not used for defining material regions. They must contain void material and the universe number must be set to a negative value. Universes containing super-imposed cells can be created for defining complicated geometry regions. These universes are not bound by the restrictions of physical universes discussed in Section 3.6. Leakage rate can be calculated by scoring collisions in outside cells. Fuel pin definitions are geometry macros that are converted into ordinary geometry objects constructed using cells and surfaces. The cells in fuel pins are named using convention: nstc where is the pin (universe) number is the ring index starting from the innermost region (= 1) Burnable materials in fuel pins are renamed and divided into a user-defined number of annular depletion zones (see Sec. 8.2 on page 109). The naming convention is: 7.1 Detector Input 103 pr where is the original material name is the pin (universe) number is the ring index starting from the innermost region (= 1) EXAMPLES: % Simple cell, material and universe detectors: det 1 dc 1 det 2 dm fuel det 3 du 2 % Score collisions in cell 1 % Score collisions in material "fuel" % Score collisions in universe 2 % Combined detectors: det 4 dc 1 dc 2 det 5 du 1 dm H2O % Two bins: collisions in cells 1 and 2 % Collisions in material "H2O" in universe 2 % Super-imposed cells: cell 10 -1 cell 11 -1 det 6 dc 10 det 7 du -1 void -1 void 1 -2 % Collisions in super-imposed cell 10 % Collisions in super-imposed universe -1 Lattice detectors The input format for the lattice detector is: det dl where is the detector name is the detector lattice number A bin is created for each lattice position. The results can be combined with cell, material and universe bins. For example, the flux distribution in material “clad” in a fuel pin lattice “10” can be calculated using: det 1 dm clad dl 10 % % Score in material "clad" Lattice bins in lat 10 7.1 Detector Input 104 Mesh detectors The mesh detector creates a super-imposed uniform square mesh over the geometry. The mesh structure is given separately in x-, y- and z-directions and the input format for the x-type is: det dx where is the detector name is the minimum x-coordinate of the mesh is the maximum x-coordinate of the mesh is the number of mesh bins in the x-direction EXAMPLES: % One-dimensional mesh (axial power distribution in fuel pin): det du dm dz 1 1 fuel 0.0 120.0 50 % Score in universe (pin) 1 % Score in material "fuel" % 50 axial bins between z = 0 and z = 120 cm % Two-dimensional mesh (total fission rate distribution): det 2 dr -6 void dx -225.0 225.0 30 dy -225.0 225.0 30 % Multiply by total fission rate % 30 bins in x-direction % 30 bins in y-direction % Three-dimensional mesh (thermal flux distribution): ene 1 1 1E-11 0.625E-6 % Detector energy grid (single bin) det 3 de 1 dx -225.0 225.0 30 dy -225.0 225.0 30 dz 0.0 400.0 10 % % % % 7.1.4 Use energy 30 bins in 30 bins in 10 bins in grid 1 x-direction y-direction z-direction Surface Current Detectors Serpent 1.1.17 and later versions have the capability to calculate neutron current through surfaces. The syntax for the current detector is: 7.2 Detector output 105 det ds where is the detector name is the surface name is the direction vector (-1 = inward, 0 = net, 1 = outward) The surface associated with the detector is assumed to be located relative to the origin of universe zero, and it may or may not be a part of the geometry definition. The direction vector determines which surface crossings are included in the result. Inward current has positive and outward current negative value, respectively. Net current is calculated as the sum of the two. The surface current detector was added mainly for the calculation of reflector group constants, and the first implementation had some limitations with respect to boundary conditions (see note below). Reflector geometries typically involve the use of partial boundary conditions (see Sec. 5.7 on page 59), available from code version 1.1.17 on. IMPORTANT NOTES ON THE SURFACE CURRENT DETECTOR: 1. The surface current detector in version 1.1.17 cannot cope with some of the coordinate transformations performed when repeated boundary conditions are applied, which limits its use to geometries with black boundary conditions, or reflected or periodic boundary condition perpendicular to the detector surface. This limitation was lifted in update 1.1.18, and the most recent implementation should work in all geometry types. 7.2 Detector output The output from all detectors is printed in matlab m-file format in a single file named “_det.m”, where “” is the name of the input file and “” is the burnup step. The results for each detector are written in a 13-column table, one bin value per row. The variable is named “DET.m”, where “” is the detector name. The values in each column are: 1. Value index (total number in “DET_VALS”) 2. Energy bin index (total number in “DET_EBINS”) 3. Universe bin index (total number in “DET_UBINS”) 4. Cell bin index (total number in “DET_CBINS”) 5. Material bin index (total number in “DET_MBINS”) 7.2 Detector output 106 6. Lattice bin index (total number in “DET_LBINS”) 7. Reaction bin index (total number in “DET_RBINS”) 8. Z-mesh bin index (total number in “DET_ZBINS”) 9. Y-mesh bin index (total number in “DET_YBINS”) 10. X-mesh bin index (total number in “DET_XBINS”) 11. Mean value 12. Relative statistical error 13. Total number of scores Detector volume is given in variable “DET_VOL”. All results have been divided by this number. If an energy bin structure is defined, the corresponding bin boundaries are written in variable “DETE”. The variable has three columns: 1. Lower energy boundary of bin 2. Upper energy boundary of bin 3. Mean energy of bin The number of rows is equal to the number of energy bins. If x-, y- or z-bins are defined, the corresponding bin boundaries are written in variables “DETX”, “DETY”, “DETZ”, respectively. The variables have three columns: 1. Coordinate of the lower bin boundary 2. Coordinate of the upper bin boundary 3. Coordinate of bin center The number of rows is equal to the number of x-, y- or z-bins. IMPORTANT NOTES ON DETECTOR OUTPUT: 1. Some variables are missing and the names are in lower-case in the pre-release version 1.0.0 of the Serpent code (corrected in version 1.0.1). 2. Detector volume is printed in version 1.1.13 on. 7.3 Detectors in Burnup Calculation 7.3 107 Detectors in Burnup Calculation There are a few things that need to be considered when using detectors in the burnup calculation mode. First, the output is printed in a different file for each burnup step (see previous section). The file names are separated by the step index, which is set to zero for the initial composition. Second, when burning materials inside pin and particle structures (see Sec.3.4 and 3.8), the materials are renamed according to pin / particle index and region number if the material is divided into multiple depletion zones (see Sec. 8.2). The original material names no longer exist and the new names must be used instead with the “dm” parameter. Chapter 8 Burnup calculation 8.1 General Serpent can be run both as a stand-alone burnup calculation code and as a part of a coupled system. In the first case, the code uses an internal calculation routine for solving the set of Bateman equations describing the changes in the material compositions caused by neutroninduced reactions and radioactive decay. In the second case, the code is used as the neutronics solver in an externally coupled system. The additional input for burnup calculation consists of identifying the depleted materials (Sec. 8.2) and setting up the irradiation history (Sec. 8.3). There are also some additional parameters for determining file paths and options used by the calculation routines (Sec. 8.4). A few simple examples are given in Sec. 8.7 and complete input listings in Sec. 11.2. It should be noted that burnup calculations are more sensitive to small changes in the geometry, materials and calculation parameters compared to a steady state simulation. The length of burnup steps and predictor-corrector calculation (see Sec. 8.3 and Sec. 8.4) may have a significant impact on the accumulation of certain isotopes, and especially the depletion of burnable absorbers. In thermal systems, the build-up rate of plutonium is strongly dependent on moderator conditions, such as density and the S(α, β) scattering laws (see Sec. 4.2 on Page 49). As low as a 30K difference in moderator temperature may result in over 1% discrepancy in Pu-239 concentration at high burnup.1 Differences originating from the evaluated nuclear data should always be taken into account, especially for older libraries, such as JEF-2.2 and ENDF/B-VI. 1 It should be noted that the thermal scattering data provided with the installation package is generated at slightly different temperatures for different libraries. 108 8.2 Depleted materials 8.2 109 Depleted materials Depleted materials are identified by an additional “burn” entry in the material card: mat burn ... where ... ... is the material name is the density (mass or atomic) is the number of annular regions in depleted fuel pins are the names of the constituent nuclides are the corresponding fractions (mass or atomic) If the irradiation history is not set up, the “burn” entry activates the coupled calculation mode and one-group transmutation cross sections, radioactive decay constants and fission yields are written in a separate output file (see Sec. 8.6) without running the depletion calculation. The code treats depleted materials in fuel pins different from materials in ordinary cells. Each pin type is treated separately and further divided into annular depletion zones of equal volume. The division is important for accounting for the rim-effects caused by spatial self-shielding. The code automatically renames the depleted pin materials using convention: pr where is the original material name is the pin (universe) number is the ring index starting from the innermost region (= 1) Depleted materials in ordinary cells are not renamed or divided into sub-regions. IMPORTANT NOTES ON DEPLETED MATERIALS: 1. Each fuel pin type containing a depleted material is treated separately and divided into a user-given number of annular depletion zones. 2. The separation of material regions is based on pin type, not lattice position. If similar pins in different positions need to be treated as different materials, a new (identical) pin type must be assigned for each position (See examples in Sec. 8.7.1 on page 117). 3. Fuel pins containing burnable absorber should always be divided into ∼10 rings in order to account for the rim-effects caused by spatial self-shielding. 4. The current code version can only handle burnup calculation in cylindrical or spherical material regions, such as fuel pins or HTGR micro particles. 8.3 Irradiation history 110 SEE ALSO: 1. Material cards (Sec. 4.1.2 on page 48) 8.3 Irradiation history The irradiation history in the independent burnup calculation mode consists of one or several burnup intervals, defined by the “dep” card: dep ... where ... is the step type are the burnup steps The step types are listed in Table 8.1 Table 8.1: Burnup step types. bustep butot daystep daytot decstep dectot Step values depletion step, burnup intervals given in MWd/kgU depletion step, cumulative burnup given in MWd/kgU depletion step, time intervals given in days depletion step, cumulative time given days decay step, time intervals given in days decay step, cumulative time given in days Source rate normalization and soluble absorber concentration can be changed between intervals by re-defining the values. The first value is used during the first burnup interval, the second during the second interval and so on. Examples are given in Sec. 8.7.2 on page 121. The last two options omit the transport cycle and handle only radioactive decay, which makes the calculation run significantly faster. This mode is intended to be used for calculating activities and inventories after the irradiation is completed. Downtime between cycles is better handled by setting the power to zero. IMPORTANT NOTES ON IRRADIATION HISTORY: 1. If source rate normalization or soluble absorber concentration are changed between burnup intervals, it is important that the number of definitions is equal to the number of intervals. 8.4 Options for Burnup Calculation 111 2. The structure of the “dep” card is different in the early code versions (before 1.0.2). 3. The soluble absorber definition is available from version 1.0.2 on. 4. The decay mode is available from code version 1.1.10 on. SEE ALSO: 1. Source rate normalization options (Sec. 5.8 on page 61) 2. Soluble absorber (Sec. 5.14 on page 69) 8.4 Options for Burnup Calculation The calculation parameters in the burnup mode are summarized in Table 8.2. Table 8.2: List of parameters and options in burnup calculation mode. Option declib (1) nfylib (1) sfylib (1) bunorm (1) fmass (1) bumode (1) pcc (1) xscalc (1) fpcut (1) axs (2) stabcut (1) ttacut (1) xsfcut (1) xsecut (1) inventory (1-N) printm (1) dhprec (1) 8.4.1 Description file path for radioactive decay data file path for fission yield data file path for spontaneous fission yield data normalization mode in burnup calculation total fissile mass solution method for Bateman equations flag for predictor-corrector calculation transmutation cross sections generation fission product yield cut-off actinide mass chains included in calculation stability cut-off TTA chain cut-off XS fraction cut-off XS threshold energy cut-off nuclide list for burnup calculation output flag for printing material compositions precursor-group wise decay heat production Section 8.4.1 8.4.1 8.4.1 8.4.2 8.4.2 8.4.3 8.4.3 8.4.4 8.4.5 8.4.5 8.4.5 8.4.5 8.4.5 8.4.5 8.4.6 8.4.7 8.4.8 Page 112 112 112 112 112 113 113 113 114 114 114 114 114 114 115 115 115 Library File Paths In addition to the continuous-energy cross section libraries, burnup calculation requires radioactive decay data and neutron-induced and spontaneous fission product yields. These files are read in the raw ENDF format. The decay data library file path is set using: 8.4 Options for Burnup Calculation 112 set declib "" where is the file path for the ENDF format decay data library the neutron-induced fission yield library using: set nfylib "" where is the file path for the ENDF format fission yield library and the spontaneous fission yield library: set sfylib "" where is the file path for the ENDF format fission yield library The spontaneous fission yield library is optional. If the file path is not set, the code uses neutron-induced yields for spontaneous fission. The present code version does not model spontaneous fission. A default directory path can be set by defining environment variable SERPENT_DATA. The code looks for data files in this path if not found at the absolute location. 8.4.2 Normalization The normalization of fission source is described in Sec. 5.8 on page 61. In some burnup calculation problems, the geometry may contain fissile materials that are not depleted, which may also affect the source normalization. Serpent offers three options, set using: set bunorm where is the normalization mode Mode 1 is the default treatment which normalizes the given reaction rate or power to all materials. Mode 2 includes only burnable materials and mode 3 only non-burnable materials. The option is available from update 1.1.5 on and earlier code versions use all materials in the normalization. The code automatically calculates the total fissile mass in the system, which is needed for normalizing the reaction rates. If the calculation fails, the value can be set manually using: set fmass where is the total fissile mass in the system (in grams) 8.4 Options for Burnup Calculation 8.4.3 113 Solution of Depletion Equations The Serpent code has three options and two methods for solving the Bateman equations describing the changes in the isotopic compositions caused by neutron-induced reactions and radioactive decay. The calculation mode is set using: set bumode where is the method used for depletion calculation The first method ( = 1) is Transmutation Trajectory Analysis (TTA), based on the analytical solution of linearized transmutation chains. The second method ( = 2), used by default, is an advanced matrix exponential solution based on the Chebyshev Rational Approximation Method (CRAM). The third option ( = 3) is the variation TTA method, in which cyclic transmutation chains are handled by inducing small variations in the coefficients instead of solving the extended TTA equations. Predictor-corrector calculation is activated using: set pcc where is the flag for running the corrector step (0 = no, 1 = yes) The method is used by default and results in a more accurate estimation of isotopic changes during each burnup step. The drawback is that the transport cycle is repeated, which increases the overall calculation time. 8.4.4 Calculation of Transmutation Cross Sections There are two options for calculating the isotopic one-group transmutation cross sections: set xscalc where is the method used for cross section calculation In the default method ( = 2), the code calculates these parameters using a highresolution flux spectrum recorded during the transport calculation. This procedure results in a reduction of calculation time by a factor of 3-4 compared to the direct calculation of the cross sections during the transport cycle ( = 1). The drawback is that the method is an approximation and that the information on statistical accuracy is lost.2 2 The flux spectrum is calculated using the main energy-grid structure. The resolution is high and the only approximation is that the continuous-energy cross sections are assumed constant between two grid points. It is therefore assumed that the difference to the direct calculation are negligible, although the methodology still requires some thorough validation. The two methods are automatically compared by setting = 3. 8.4 Options for Burnup Calculation 8.4.5 114 Cut-offs Burnup calculation uses various cut-offs for reducing the computational effort. Fission product yield cut-off determines which fission products are included in the calculation. The selection is based on the cumulative yield of each fp mass chain: set fpcut where is the limit for fission product yield cut-off By default, the range of actinide mass chains included in the calculation extends from Amin 1 to Amax + 7, where Amin and Amax are the minimum and maximum actinide mass numbers in the initial composition. This range can be set manually by: set axs where is the lightest actinide mass chain included in the calculation is the heaviest actinide mass chain included in the calculation Stability cut-off: set stabcut where is the limit for stability cut-off TTA chain cut-off: set ttacut where is the limit for TTA chain cut-off Cross section fraction cut-off: set xsfcut where is the limit for cross section fraction chain cut-off Threshold energy cut-off: set xsecut where is the energy boundary 8.4.6 Nuclide Inventory The standard output in the independent calculation mode consists of material compositions, transmutation cross sections, activities and decay heating values. The isotopes, elements, 8.4 Options for Burnup Calculation 115 etc. included in the output are set by the inventory option: set inventory ... where are the identifiers. The list consists of numerical values that identify the nuclides (1000*Z + 10*A + I) or elements (Z). Isotope and and elemental names and symbols (“Pu-239”, “Gd155”, “PM148M”, “Cs”, “plutonium”, etc.) are also accepted. Elemental values are calculated by summing over the isotopes. Table 8.3 lists additional options that can be used in the inventory list to sum over several elements. Table 8.3: Special entries in the inventory list. The list entry may consist of name or ID. ID 201 202 204 208 8.4.7 Name act fp dp ng Description Actinides (Z > 89) Fission products Decay products below thorium in the natural actinide decay series Noble gases (in the fission product range, helium and radon excluded) Additional Output The code has an option for writing the compositions of depleted materials in a separate output file after each step: set printm where is the flag for printing material compositions (0 = no, 1 = yes) The code produces for each step a file named “.bumat”, where is the name of the input file and is the burnup step. The material compositions can be used in another Serpent calculation or converted to MCNP format for validation purposes. 8.4.8 Decay heat production in multiple precursor groups Decay heat production can be divided into multiple precursor groups based on the nuclide decay constant. The syntax for the option is: set dhprec [ ... ] where are the group boundaries in ascending order Default values are used if the option is not given. The output is printed in the main output file (see Sec. 6.1.11). The feature is available from code version 1.1.17 on. 8.5 Output in independent mode 116 IMPORTANT NOTES ON BURNUP CALCULATION PARAMETERS: 1. Decay and fission yield libraries are raw ENDF data files in ASCII format. 2. Symbolical names can be used in the inventory list from version 1.1.3 on. Elemental and special identifiers are available from version 1.1.10 on. If the list is empty, only material total values are printed. 3. The code looks for the daughter nuclide cross section data libraries in the ACE directory file. It is important that the directory file contains as many nuclides as possible. 4. Mode 2 (matrix exponential solution) is available and used by default from version 1.1.0 on. 5. It is important to use the predictor-corrector step in cases involving burnable absorbers. 6. The environment variable feature is available from code version 1.1.8 on. SEE ALSO: 1. Setting up the cross section library file path (Sec. 5.4 on page 57). 2. Description of the CRAM method in Ref. [21]. 8.5 Output in independent mode The burnup calculation output in the independent calculation mode is written in Matlab mfile format in file “_dep.m”, where is the name of the input file. The variables are summarized in Table 8.4. The number of burnup steps is N and the number of inventory nuclides I. The material-wise parameters are printed for each depleted material. IMPORTANT NOTES ON OUTPUT: 1. If the predictor-corrector method is used, the material compositions are given at the beginning of each step. The transmutation cross sections are not equivalent with the corrected values used for solving the depletion equations. 2. The variable names are slightly different in the pre-release version 1.0.0 of the Serpent code (corrected in version 1.0.1). 3. The “lost” in the output file refers to data that is lost to undefined nuclides. SEE ALSO: 1. Setting up burnup inventory list (Sec. 8.4.6 on page 115). 8.6 Output in coupled mode 117 Table 8.4: Variables in the Matlab m-format burnup calculation output file. Variable BU DAYS i iTOT iLOST ZAI NAMES MAT__VOLUME MAT__FLUX MAT__ADENS MAT__MDENS MAT__A MAT__H MAT__FISSXS MAT__CAPTXS MAT__N2NXS TOT_VOLUME TOT_ADENS TOT_MASS TOT_A TOT_H Size (1, N ) (1, N ) 1 1 1 (I + 2, 1) (I + 2, 8) (1, N ) (1, N ) (I + 2, N ) (I + 2, N ) (I + 2, N ) (I + 2, N ) (I + 2, N ) (I + 2, N ) (I + 2, N ) 1 (I + 2, N ) (I + 2, N ) (I + 2, N ) (I + 2, N ) Contents Cumulative burnup in MWd/kgU Cumulative burn time in days Table index for nuclide “” Table index for total values Table index for lost data Nuclide ZAI’s Nuclide names (character strings) Volume of material “” Volume-integrated flux in material “” Atomic densities in material “” Mass densities in material “” Activities in material “” Decay heat in material “” (n,f) cross sections in material “” (n,γ) cross sections in material “” (n,2n) cross sections in material “” Total volume of depleted materials Total averaged atomic densities Total mass Total activities Total decay heat 8.6 Output in coupled mode 8.7 Burnup calculation examples 8.7.1 Material and lattice examples A simple assembly burnup calculation consisting of two pin types: % --- Fuel pin: pin 1 UO2 clad water 0.4025 0.4750 % --- Gd-pin: 8.7 Burnup calculation examples pin 3 UO2Gd clad water 118 0.4025 0.4750 % --- Guide tube: pin 4 water tube water 0.5730 0.6130 % --- Pin lattice: lat 110 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 4 1 1 4 1 1 4 3 1 1 1 1 1 1 1 4 1 1 1 1 3 1 1 1 1 4 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 3 1 1 0.0 0.0 17 17 1 1 4 1 1 4 1 1 4 1 1 4 1 1 4 1 1 1 1 1 1 1 1 3 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 3 1 4 1 1 4 1 1 4 1 3 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 3 1 1 1 1 1 1 1 1 4 1 1 4 1 1 4 1 1 4 1 1 4 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1.265 1 1 1 4 1 1 1 1 3 1 1 1 1 4 1 1 1 1 1 1 1 3 4 1 1 4 1 1 4 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 % --- Fuel in normal pins, no division into rings: mat UO2 92234.09c 92235.09c 92238.09c 8016.09c 6.7402E-02 9.1361E-06 9.3472E-04 2.1523E-02 4.4935E-02 burn 1 % --- Fuel in Gd pins, division into 10 rings: mat UO2Gd 92234.09c 92235.09c 6.8366E-02 4.2940E-06 5.6226E-04 burn 10 8.7 Burnup calculation examples 92238.09c 64154.09c 64155.09c 64156.09c 64157.09c 64158.09c 64160.09c 8016.09c 119 2.0549E-02 4.6173E-05 2.9711E-04 4.1355E-04 3.1518E-04 4.9786E-04 4.3764E-04 4.5243E-02 Similar case, but each lattice position treated as a separate depletion zone, taking into account the 1/12 symmetry of the pin layout: % --- Fuel pins: pin 10 UO2 clad water 0.4025 0.4750 pin 11 UO2 clad water 0.4025 0.4750 ... (identical definition of pins 12-45 omitted for simpicity) ... % --- Gd-pins: pin 50 UO2Gd clad water 0.4025 0.4750 pin 51 UO2Gd clad water 0.4025 0.4750 pin 52 UO2Gd clad water 0.4025 0.4750 8.7 Burnup calculation examples 120 % --- Guide tube: pin 90 water tube water 0.5730 0.6130 % --- Pin lattice: lat 110 1 0.0 0.0 17 17 1.265 45 44 43 42 41 40 39 38 37 38 39 40 41 42 43 44 45 42 34 27 90 24 23 22 21 51 21 22 23 24 90 27 34 42 41 33 52 24 20 19 18 17 16 17 18 19 20 24 52 33 41 38 30 25 21 17 14 13 11 10 11 13 14 17 21 25 30 38 44 36 35 34 33 32 31 30 29 30 31 32 33 34 35 36 44 43 35 28 27 52 90 26 25 90 25 26 90 52 27 28 35 43 40 32 90 23 19 90 15 14 90 14 15 90 19 23 90 32 40 39 31 26 22 18 15 50 13 12 13 50 15 18 22 26 31 39 38 30 25 21 17 14 13 11 10 11 13 14 17 21 25 30 38 37 29 90 51 16 90 12 10 90 10 12 90 16 51 90 29 37 39 31 26 22 18 15 50 13 12 13 50 15 18 22 26 31 39 40 32 90 23 19 90 15 14 90 14 15 90 19 23 90 32 40 41 33 52 24 20 19 18 17 16 17 18 19 20 24 52 33 41 42 34 27 90 24 23 22 21 51 21 22 23 24 90 27 34 42 43 35 28 27 52 90 26 25 90 25 26 90 52 27 28 35 43 44 36 35 34 33 32 31 30 29 30 31 32 33 34 35 36 44 45 44 43 42 41 40 39 38 37 38 39 40 41 42 43 44 45 % --- Fuel in normal pins, no division into rings: mat UO2 92234.09c 92235.09c 92238.09c 8016.09c 6.7402E-02 9.1361E-06 9.3472E-04 2.1523E-02 4.4935E-02 burn 1 % --- Fuel in Gd pins, division into 10 rings: mat UO2Gd 92234.09c 92235.09c 92238.09c 64154.09c 64155.09c 64156.09c 64157.09c 64158.09c 6.8366E-02 4.2940E-06 5.6226E-04 2.0549E-02 4.6173E-05 2.9711E-04 4.1355E-04 3.1518E-04 4.9786E-04 burn 10 8.7 Burnup calculation examples 64160.09c 8016.09c 8.7.2 4.3764E-04 4.5243E-02 Irradiation history examples Irradiation at constant power density, cumulative burnup steps: set powdens 40.0E-3 dep butot 0.10000 0.50000 1.00000 1.50000 2.00000 2.50000 3.00000 3.50000 4.00000 4.50000 5.00000 5.50000 6.00000 6.50000 7.00000 7.50000 8.00000 8.50000 9.00000 9.50000 10.00000 10.50000 11.00000 11.50000 12.00000 12.50000 13.00000 13.50000 14.00000 14.50000 15.00000 20.00000 25.00000 30.00000 35.00000 121 8.7 Burnup calculation examples 122 40.00000 Similar case with step size given and history divided into 3 irradiation intervals with cooling period. Nuclide inventory is traced for 1000 years after the fuel is removed from the reactor: % --- Cycle 1: 650 ppm boron, final burnup 13.5 MWd/kgU set powdens 40.0E-3 set abs boron -650E-6 water dep bustep 0.10000 0.40000 0.50000 0.50000 0.50000 0.50000 0.50000 0.50000 0.50000 0.50000 0.50000 0.50000 0.50000 0.50000 0.50000 0.50000 0.50000 0.50000 0.50000 0.50000 0.50000 0.50000 0.50000 0.50000 0.50000 0.50000 0.50000 0.50000 % --- Downtime for 80 days: set powdens 0.0 set abs boron -650E-6 water dep daystep 80 8.7 Burnup calculation examples % --- Cycle 2: 300 ppm boron, final burnup 25.0 MWd/kgU set powdens 40.0E-3 set abs boron -300E-6 water dep bustep 0.50000 0.50000 0.50000 5.00000 5.00000 % --- Downtime for 80 days: set powdens 0.0 set abs boron -300E-6 water dep daystep 80 % --- Cycle 3: no boron, final burnup 40.0 MWd/kgU set powdens 40.0E-3 set abs boron 0.0 water dep bustep 5.00000 5.00000 5.00000 % --- Decay after fuel is removed from the reactor dep decstep 365 365 365 365 365 365 365 365 365 365 3650 3650 % % % % % % % % % % % % 1. year 2. year 3. year 4. year 5. year 6. year 7. year 8. year 9. year 10. year 20. year 30. year 123 8.7 Burnup calculation examples 3650 3650 3650 3650 3650 3650 3650 36500 36500 36500 36500 36500 36500 36500 36500 36500 % % % % % % % % % % % % % % % % 40. year 50. year 60. year 70. year 80. year 90. year 100. year 200. year 300. year 400. year 500. year 600. year 700. year 800. year 900. year 1000. year 124 Chapter 9 External Source Mode 9.1 General External source simulation mode, available from version 1.1.11 on, can be used to replace the k-eigenvalue criticality source method in sub-critical and non-multiplying systems. Instead of performing power iterations on the fission source, all source neutrons are started from a user-defined distribution. The calculation mode is activated by replacing the “pop” input parameter (see Sec. 5.2 on page 53) with: set nps [ ] where is the total number of source neutrons run is the number of batches run By default, the simulation is run by dividing the source size into 200 batches. Apart from the source definition, described in the following section, the external source simulation works very similar to the criticality source method. All features, including detectors and burnup calculation are available. IMPORTANT NOTES ON EXTERNAL SOURCE SIMULATION: 1. The calculation mode is available from version 1.1.11 on, and still very much under development. 2. External source simulations can only be run in non-multiplying or sub-critical systems. Geometries with keff ≥ 1 produce infinite multiplication and the simulation diverges. 125 9.2 Source definition 9.2 126 Source definition The external source simulation requires one or several source definitions. A user-defined source can also be used as the initial guess for criticality source calculations (see Sec. 5.2). The syntax for the source definition is: src ... where ... is the source name are the source parameter sets The parameters are listed in Table 9.1 and they can be combined in different ways as described in the following subsections. If multiple sources are used, the relative importances are determined by the weights, set to unity by default. Table 9.1: Detector parameters. Param. Description sw Source weight sc Source cell sm Source material sp Source point sx, sy, sz Source boundaries sd Source direction se Source energy sb Source energy bins sr Source reaction ss Source surface 9.2.1 Comments Determines the relative importance of the source Defines the cell where the neutrons are started Defines the material where the neutrons are started Defines the coordinates of a point source Defines the boundaries of the source distribution Defines the source direction vector Multiple uses Defines a bin-wise energy spectrum Defines the source reaction Defines a surface source Setting the Spatial Distribution If spatial distribution is not defined, neutrons are started uniformly all over the geometry. The sampling volume can limited by setting the boundaries in x-, y- and z-directions using: 9.2 Source definition 127 src sx sy sz where is the source name is the minimum boundary in x-direction is the maximum boundary in x-direction is the minimum boundary in y-direction is the maximum boundary in y-direction is the minimum boundary in z-direction is the maximum boundary in z-direction The source can be defined by a single cell using: src sc where is the source name is the cell where the neutrons are started or to a single material using: src sm where is the source name is the material where the neutrons are started The cell and material definitions can be used in combination with the boundaries set by “sx”, “sy” and “sz”. An alternative to a volume source is the point source, defined as: src sp where is the source name is x-coordinate of the point source is y-coordinate of the point source is z-coordinate of the point source Surface sources can be defined as: src ss where is the source name is the source surface The surface is defined using the “surf” card (see Sec. 3.2 on page 19). Positive and negative entries refer to neutrons being emitted in the direction of positive and negative surface normal, respectively. The feature is available from version 1.1.15 on, and the allowed surface types include sphere (“sph”) and cylinder (“cyl”). 9.2 Source definition 9.2.2 128 Setting the Directional Distribution By default, all source neutrons in point and volume sources are emitted isotropically. To define a mono-directional source, the direction vector can be set by the “sd” parameter: src sd where is the source name is direction cosine in the x-direction is direction cosine in the y-direction is direction cosine in the z-direction Directional distributions will be added in future code versions. 9.2.3 Setting the Energy Distribution A mono-energetic source is defined by setting the “se” parameter: src se where is the source name is neutron energy By default, the emission energy is set to 1 MeV. Another option is to take the energy distribution from a nuclear reaction using the “sr” option: src sr where is the nuclide identifier is the reaction mt The reaction can be any scattering or fission reaction for which the distribution data exists in the ACE format data (notice that this is not the case for elastic scattering and inelastic level scattering). If source energy is defined using the “se” option, the value is used as the energy of the incoming neutron when the emission energy is sampled. If the value is not set, the minimum value allowed by the distribution is used. The third option is to define discrete energy bins as: src sb ... where is the number of source energy bins are the energy bin boundaries are the bin weights The code samples the energy bin according to the probability calculated from the bin weights, 9.3 Source Examples 129 and the energy uniformly between the bin boundaries. The energy entries correspond to the upper boundaries of each bin, and the weight of the first bin must be set to zero. The feature is available from version 1.1.15 on. 9.2.4 Source files Source distribution can be read from a file using: src sf where is the source name is the source file is the file type (must be 1) The source file contains coordinates, direction cosines, energy, weight and time for every source neutron, one entry per line. This feature was added in version 1.1.17, and the format of the source file may change in later updates. 9.3 Source Examples Source definition using default parameters – isotropic, mono-energetic 1 MeV source, uniformly distributed over the geometry: src 1 Setting the spatial and directional distribution: % Uniform source in a cuboid: src 2 sx -1.0 1.0 sy -1.0 1.0 sz -1.0 1.0 % Source in cell: src 3 sc 1 % Source in material, bounded in axial direction: src 4 sm fuel sz -10.0 10.0 % Point source in origin, directed in the positive x-axis: src 5 sp 0.0 0.0 0.0 sd 1.0 0.0 0.0 9.3 Source Examples Setting the energy distribution: % Three point sources with different energy and importance src 6 sw 0.5 sp 0.0 0.0 0.0 se 1.0 src 7 sw 0.3 sp 1.0 0.0 0.0 se 2.0 src 8 sw 0.2 sp 0.0 1.0 0.0 se 3.0 % U-235 fission source in material fuel: src 9 sc fuel sr 92235.03c 18 % U-238 fission source induced by 14 MeV neutrons: src 10 sr 92238.03c 18 se 14.0 % Histogram energy distribution defined using 5 bins: src 6 1E-11 1E-6 1E-3 1.0 20.0 sb 5 0.0 % 0.5 % 1.0 % 2.0 % 1.0 % Energy below 1E-11 MeV (weight must be zero) Between 1E-11 and 1E-6 MeV, weight 0.5 Between 1E-6 and 1E-3 MeV, weight 1.0 Between 1E-3 and 1.0 MeV, weight 2.0 Between 1.0 and 20.0 MeV, weight 1.0 130 Chapter 10 Reaction rate mesh plotter 10.1 Mesh input Serpent has a built-in capability to visualize the neutronics in thermal systems by plotting the fission power and thermal flux distributions in a single png graphics file. The parameters for a reaction rate mesh plotter are defined as: mesh [ ] where is the orientation of the plot plane (1, 2 or 3) is the width of the plot in pixels is the height of the plot in pixels is the symmetry option (0, 2, 4 or 8) is the minimum value of the x-coordinate is the maximum value of the x-coordinate is the minimum value of the y-coordinate is the maximum value of the y-coordinate is the minimum value of the z-coordinate is the maximum value of the z-coordinate The code calculates reaction rates in an by mesh, and projects tha data according to the orientation of the plot plane, defined as: 1. yz-plot (perpendicular to the x-axis) 2. xz-plot (perpendicular to the y-axis) 3. xy-plot (perpendicular to the z-axis) If the optional coordinate boundaries are not given, the code uses the boundaries of the defined geometry. 131 10.2 Mesh output 132 The symmetry option can be used to attain better statistics. The symmetry types are illustrated in Fig. 5.1 on page 63, and only options 0, 2, 4 and 8 are allowed with mesh plots. The option is set to zero by default (no symmetry). 10.2 Mesh output Output is written in a png format file “_mesh.png”, where is the name of the input file and is the plot index. Burnup mode produces new plots for each depletion step. The files are named “_mesh_bstep.png”, where is the step index. The colour scheme consists of “hot” shades of red and yellow, representing relative fission power, and “cold” shades of blue, representing relative thermal flux (flux below 0.625 eV). The normalization is fixed after the first burnup step, so changes in flux and power level can be observed in the color schemes. Examples of reaction rate mesh plots can be found at the Serpent website: http://montecarlo.vtt.fi/development.htm. IMPORTANT NOTES ON REACTION RATE MESH PLOTTER: 1. The mesh plots are subject to random noise, and the figures become smoother along with better statistics. 2. The geometry plotter uses the GD open source graphics library [1], which must be installed in the system. 3. The plotter produces png (portable network graphics) format output files. SEE ALSO: 1. Compiling Serpent (Sec. 1.1 on page 8) 2. The GD open source graphics library: http://www.libgd.org 3. Mesh plot gallery at Serpent website: http://montecarlo.vtt.fi/development.htm. Chapter 11 Complete Input Examples 11.1 Quick start For an experienced Monte Carlo code user the easiest way to get started with Serpent is to look at the lattice input examples in the following subsections. Installation and running the code is described in Chapter 1 and a general description of the input syntax is given in Chapter 2. The input cards used in the example cases include: – Fuel pin definitions (Sec. 3.4 on page 27) – Lattice definitions (Sec. 3.6 on page 28) – Surface definitions (Sec. 3.2 on page 19) – Cell definitions (Sec. 3.3 on page 24) – Material definitions (Sec. 4.1.2 on page 48, see also Sec. 4.1.1) – Thermal scattering libraries (Sec. 4.2 on page 49) – Soluble absorber (Sec. 5.14 on page 69) – File paths (Sec. 5.4 on page 57) – Neutron population and criticality cycles (Sec. 5.2 on page 53) – Boundary conditions (Sec. 5.7 on page 59) – Parameters for group constant generation (Sec. 5.9 on page 64) – Detectors (Chapter. 7 on page 95) 133 11.1 Quick start 134 The examples describe the three main lattice types: square and hexagonal lattices and the circular cluster array. All geometries are two-dimensional and infinite in the axial direction. The VVER-440 example in Sec. 11.1.1 demonstrates the use of soluble absorber and the calculation of various spectral quantities using detectors. The BWR case in Sec. 11.1.2 demonstrates the calculation of fast neutron flux (E > 1 MeV) in cladding and flow channel walls. A more complicated mixed UOX/MOX lattice example is given in Sec. 11.1.4. The homogenization is carried over the central MOX assembly, but the use of a simple infinite MOX lattice would result in a distroted flux spectrum near the boundary between the two fuel types. The input format is free and unrestricted. The only limitation is that command words must be separated by one or more white space characters. Due to the universe-based approach, similarities to MCNP input files are easy to see. To differentiate from the other examples, the mixed lattice case in Sec. 11.1.4 is prepared following a “SCALE-style” formulation. More example cases are available at the Serpent website: http://montecarlo.vtt.fi. 11.1.1 VVER-440 lattice calculation % --- VVER-440 Assembly -------------------------------------set title "VVER-440" % --- Fuel pin with central hole: pin 1 void fuel void clad water 0.08000 0.37800 0.38800 0.45750 % --- Central tube: pin 2 water clad water 0.44000 0.51500 % --- Empty lattice position: pin 3 water 11.1 Quick start 135 % --- Lattice (type = 2, pin pitch = 1.23 cm): lat 10 2 0.0 0.0 15 15 1.23 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 1 1 1 1 1 1 1 3 3 3 3 3 3 3 1 1 1 1 1 1 1 1 3 3 3 3 3 3 1 1 1 1 1 1 1 1 1 3 3 3 3 3 1 1 1 1 1 1 1 1 1 1 3 3 3 3 1 1 1 1 1 1 1 1 1 1 1 3 3 3 1 1 1 1 1 1 1 1 1 1 1 1 3 3 1 1 1 1 1 1 2 1 1 1 1 1 1 3 3 1 1 1 1 1 1 1 1 1 1 1 1 3 3 3 1 1 1 1 1 1 1 1 1 1 1 3 3 3 3 1 1 1 1 1 1 1 1 1 1 3 3 3 3 3 1 1 1 1 1 1 1 1 1 3 3 3 3 3 3 1 1 1 1 1 1 1 1 3 3 3 3 3 3 3 1 1 1 1 1 1 1 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 % --- Surfaces (assembly pitch = 14.7 cm): surf 1 surf 2 surf 3 hexyc hexyc hexyc 0.0 0.0 0.0 0.0 0.0 0.0 7.100 7.250 7.350 % Shroud tube inner radius % Shroud tube outer radius % Outer boundary % --- Cells: cell 1 cell 4 cell 5 cell 99 0 0 0 0 fill 10 tube water outside -1 1 2 -2 -3 3 % % % % Pin lattice Shroud tube Water in channel Outside world % --- UO2 fuel enriched to 3.6 wt-% U-235: mat fuel 92235.09c 92238.09c 8016.09c -10.45700 -0.03173 -0.84977 -0.11850 % --- Zr-Nb cladding and shroud tube: mat clad 40000.06c 41093.06c -6.55000 -0.99000 -0.01000 mat tube 40000.06c 41093.06c -6.58000 -0.97500 -0.02500 11.1 Quick start 136 % --- Water: mat water 1001.06c 8016.06c -0.7207 2.0 1.0 moder lwtr 1001 % --- Thermal scattering data for light water: therm lwtr lwj3.11t % --- Natural boron (used as soluble absorber): mat boron 5010.06c 5011.06c 1.0 0.2 0.8 % --- 650 ppm soluble absorber in water: set abs boron -650E-6 water % --- Cross section library file path: set acelib "/xs/sss_jeff31.xsdata" % --- Periodic boundary condition: set bc 3 % --- Group constant generation: % universe = 0 (homogenization over all space) % symmetry = 12 % 2-group structure (group boundary at 0.625 eV) set gcu set sym set nfg 0 12 2 0.625E-6 % --- Neutron population and criticality cycles: set pop 2000 500 20 % --- Geometry and mesh plots: plot 3 500 500 mesh 3 500 500 11.1 Quick start % --- Detector energy grid (uniform lethargy): ene 1 3 1000 1E-9 12.0 % --- Flux per lethargy: det 1 de 1 dt -3 % --- Differential capture, fission and production spectra: det 2 de 1 dt -2 dr -2 void det 3 de 1 dt -2 dr -6 void det 4 de 1 dt -2 dr -7 void % --- Integral capture, fission and production spectra: det 5 de 1 dt -1 dr -2 void det 6 de 1 dt -1 dr -6 void det 7 de 1 dt -1 dr -7 void % ------------------------------------------------------------ 11.1.2 BWR lattice calculation % --- Asymmetric BWR assembly with Gd-pins ------------------set title "BWR+Gd" % --- Fuel Pin definitions: pin 1 fuel1 void clad cool 4.33500E-01 4.42000E-01 5.02500E-01 pin 2 fuel2 void clad cool 4.33500E-01 4.42000E-01 5.02500E-01 pin 3 fuel3 void clad 4.33500E-01 4.42000E-01 5.02500E-01 137 11.1 Quick start 138 cool pin 4 fuel4 void clad cool 4.33500E-01 4.42000E-01 5.02500E-01 pin 5 fuel5 void clad cool 4.33500E-01 4.42000E-01 5.02500E-01 pin 6 fuel6 void clad cool 4.33500E-01 4.42000E-01 5.02500E-01 pin 7 fuel7 void clad cool 4.33500E-01 4.42000E-01 5.02500E-01 % --- Empty lattice position: pin 9 cool % --- Lattice (type = 1, pin pitch = 1.295): lat 9 9 9 1 9 2 9 3 9 5 9 5 9 5 9 5 9 5 9 3 9 2 9 9 10 9 9 2 3 3 5 5 7 6 6 6 7 6 6 6 6 7 6 5 6 4 5 9 9 1 9 5 6 6 6 6 6 6 7 6 6 9 0.0 0.0 12 9 9 9 9 9 9 5 5 5 5 3 2 6 6 6 7 5 4 7 6 6 6 6 5 6 6 6 7 6 6 9 9 9 6 7 6 9 9 9 6 6 6 9 9 9 6 6 6 6 6 6 7 6 5 7 6 6 6 6 5 6 6 6 5 5 3 9 9 9 9 9 9 12 1.295 9 9 9 9 9 9 9 9 9 9 9 9 % --- Outer channel (assembly pitch = 15.375): 11.1 Quick start surf 1 surf 2 surf 3 sqc sqc sqc 139 0.0 0.0 -0.233 0.0 0.0 -0.233 6.70000 6.93000 7.68750 % --- Channel inside assembly: surf 4 surf 5 sqc sqc 0.6475 0.6475 0.6475 0.6475 1.6742 1.7445 % --- Cell definitions: cell 1 cell 2 cell 3 cell 4 cell 5 cell 99 0 0 0 0 0 0 moder box fill 10 box moder outside -4 4 -5 -1 5 1 -2 2 -3 3 % --- Fuel materials: mat fuel1 92235.09c 92238.09c 8016.09c -10.424 -0.015867 -0.86563 -0.1185 mat fuel2 92235.09c 92238.09c 8016.09c -10.424 -0.018512 -0.86299 -0.1185 mat fuel3 92235.09c 92238.09c 8016.09c -10.424 -0.022919 -0.85858 -0.1185 mat fuel4 92235.09c 92238.09c 8016.09c -10.424 -0.026445 -0.85505 -0.1185 mat fuel5 92235.09c 92238.09c 8016.09c -10.424 -0.029971 -0.85153 -0.1185 mat fuel6 92235.09c -10.424 -0.032615 % % % % % % Water inside moderator channel Moderator channel walls Pin lattice Channel box wall Water outside channel box Outside world 11.1 Quick start 92238.09c 8016.09c 140 -0.84888 -0.1185 % --- Fuel with Gd: mat fuel7 92235.09c 92238.09c 64152.09c 64154.09c 64155.09c 64156.09c 64157.09c 64158.09c 64160.09c 8016.09c -10.291 -3.13109E-02 -8.14929E-01 -6.70544E-05 -7.13344E-04 -5.06012E-03 -7.08860E-03 -5.43718E-03 -8.64341E-03 -7.69426E-03 -1.19056E-01 % --- Cladding and channel box wall: mat clad 40000.06c 24000.06c 26000.06c 28000.06c 50000.06c 8016.06c -6.55 -0.98135 -0.00100 -0.00135 -0.00055 -0.01450 -0.00125 mat box 40000.06c 24000.06c 26000.06c 28000.06c 50000.06c 8016.06c -6.55 -0.98135 -0.00100 -0.00135 -0.00055 -0.01450 -0.00125 % --- Coolant (40% void fraction): mat cool 1001.06c 8016.06c -0.443760 0.66667 0.33333 moder lwtr 1001 % --- Moderator: mat moder -0.739605 moder lwtr 1001 1001.06c 0.666667 8016.06c 0.333333 % --- Thermal scattering data for light water: 11.1 Quick start 141 therm lwtr lwj3.11t % --- Cross section data library file path: set acelib "/xs/sss_jeff31.xsdata" % --- Reflective boundary condition: set bc 2 % --- group constant generation: % universe = 0 (homogenization over all space) % symmetry = 4 % 4-group structure (3 group boundaries) set gcu set sym set nfg 0 4 4 0.625E-6 5.5E-3 0.821 % --- Neutron population and criticality cycles: set pop 2000 500 20 % --- Geometry and mesh plots: plot 3 500 500 mesh 3 500 500 % --- Total power for normalization: set power 1.96329E+04 % --- Detector energy grid (1 bin, E > 1.0 MeV): ene 1 1 1.0 20 % --- Average fast flux in cladding: det 1 de 1 dm clad dv 16.3361 % % % Use energy grid 1 Score in material "clad" Volume for normalization % --- Pin-wise fast flux in cladding: det 2 11.1 Quick start de dm dl dv 1 clad 10 0.17952 142 % % % % Use energy grid 1 Score in material "clad" Lattice bins in lat 10 Volume for normalization % --- Fast flux in inner moderator channel wall: det 3 de 1 dc 2 dv 0.96134 % % % Use energy grid 1 Score in cell 2 Volume for normalization % --- Fast flux in outer channel wall: det 4 de 1 dc 4 dv 12.5396 % % % Use energy grid 1 Score in cell 4 Volume for normalization % ------------------------------------------------------------ 11.1.3 CANDU lattice calculation % --- CANDU cluster -----------------------------------------set title "CANDU" % --- Fuel pin: pin 1 fuel 0.6122 clad 0.6540 cool % --- Lattice (type = 4, 4 rings, 3rd ring rotated 15 deg.): lat 1 6 12 18 10 4 0.0 0.0 0.0000 0.0 1 1.4885 0.0 1 2.8755 15.0 1 4.3305 0.0 1 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 % --- Surfaces (core pitch = 18.191 cm): surf 1 surf 2 cyl 0.0 0.0 5.16890 cyl 0.0 0.0 5.60320 % Pressure tube inner wall % Pressure tube outer wall 11.1 Quick start surf 3 surf 4 surf 5 143 cyl 0.0 0.0 6.44780 cyl 0.0 0.0 6.58750 sqc 0.0 0.0 9.09570 % Calandria tube inner wall % Calandria tube outer wall % Outer boundary % --- Cells: cell cell cell cell cell cell 1 2 3 4 5 6 0 0 0 0 0 0 fill 10 tube void caltube moder outside -1 1 2 3 4 5 -2 -3 -4 -5 % % % % % % Pin lattice Pressure tube Void between tubes Calandria tube Moderator channel Outside world % --- Fuel (UO2, natural uranium, 0.7% U-235): mat fuel 8016.09c 92235.09c 92238.09c -10.4375010 -1.18473E+1 -6.27118E-1 -8.75256E+1 % --- Cladding: mat clad 25055.06c 28000.06c 24000.06c 40000.06c 5010.06c 5011.06c -6.44 -1.60000E-1 -6.00000E-2 -1.10000E-1 -9.97100E+1 -5.7409e-05 -2.5259E-04 % --- Pressure tube: mat tube 40000.06c 5010.06c 5011.06c -6.57 -9.75000E+1 -3.8889E-05 -1.7111E-04 % --- Calandria tube: mat caltube 25055.06c 28000.06c 24000.06c 40000.06c 5010.06c 5011.06c -6.44 -1.60000E-1 -6.00000E-2 -1.10000E-1 -9.97100E+1 -5.7409e-05 -2.5259E-04 % --- Coolant water: 11.1 Quick start mat cool 8016.06c 1002.06c 1001.06c 144 -0.812120 -7.99449E-1 -1.99768E-1 -7.83774E-4 moder lwtr 1001 moder hwtr 1002 % --- Moderator water: mat moder 8016.06c 1002.06c 1001.06c -1.082885 -7.98895E-1 -2.01016E-1 -8.96000E-5 moder lwtr 1001 moder hwtr 1002 % --- Thermal scattering data for light and heavy water: therm lwtr lwj3.11t therm hwtr hwj3.11t % --- Cross section data library file path: set acelib "/xs/sss_jeff31.xsdata" % --- Periodic boundary condition: set bc 3 % --- group constant generation: % universe = 0 (homogenization over all space) % symmetry = 2 % 4-group structure (3 group boundaries) set gcu set sym set nfg 0 2 4 0.625E-6 5.5E-3 0.821 % --- Neutron population and criticality cycles: set pop 2000 500 20 % --- Geometry and mesh plots: plot 3 500 500 mesh 3 500 500 % ------------------------------------------------------------ 11.1 Quick start 11.1.4 145 Mixed UOX/MOX PWR lattice calculation % --- PWR MOX/UOX lattice (SCALE-style input formulation) ---% --- Problem title: set title "MOX assembly in UOX lattice" % --- Cross section library file path: set acelib "/xs/sss_jeff31.xsdata" % -----------------------------------------------------------% --- Material definitions ("comp block"): % --- UOX fuel, initial enrichment 3.25%, burnup 25 MWd/kgU: mat UO2 92235.09c 92236.09c 92238.09c 93237.09c 94238.09c 94239.09c 94240.09c 94241.09c 94242.09c 95241.09c 54131.09c 54135.09c 63153.09c 62149.09c 45103.09c 60143.09c 55133.09c 64155.09c 43099.09c 42095.09c 61147.09c 62150.09c 62151.09c 62152.09c 8016.09c 6.585000E-02 3.0000E-04 8.0000E-05 2.0000E-02 7.1000E-06 1.7000E-06 1.2000E-04 3.8000E-05 2.1000E-05 5.3000E-06 4.2000E-07 1.4000E-05 8.0000E-09 2.8000E-06 9.0000E-08 1.8000E-05 2.5000E-05 3.5000E-05 8.4000E-10 3.2000E-05 3.2000E-05 6.4000E-06 7.5000E-06 4.1000E-07 3.2000E-06 4.5100E-02 % --- Low Pu-content (2.9%) MOX fuel: 11.1 Quick start mat MOX1 92234.09c 92235.09c 92236.09c 92238.09c 94238.09c 94239.09c 94240.09c 94241.09c 94242.09c 95241.09c 8016.09c 146 6.702700E-02 4.3391E-07 4.9682E-05 8.6782E-07 2.1644E-02 5.4861E-06 4.3144E-04 1.3387E-04 4.8185E-05 1.8859E-05 9.1090E-06 4.4685E-02 % --- Medium Pu-content (4.4%) MOX fuel: mat MOX2 92234.09c 92235.09c 92236.09c 92238.09c 94238.09c 94239.09c 94240.09c 94241.09c 94242.09c 95241.09c 8016.09c 6.702100E-02 4.2718E-07 4.8271E-05 8.5435E-07 2.1309E-02 8.1476E-06 6.5555E-04 2.0151E-04 7.4065E-05 2.7751E-05 1.4626E-05 4.4681E-02 % --- High Pu-content (5.6%) MOX fuel: mat MOX3 92234.09c 92235.09c 92236.09c 92238.09c 94238.09c 94239.09c 94240.09c 94241.09c 94242.09c 95241.09c 8016.09c 6.701800E-02 4.2175E-07 4.9766E-05 8.4350E-07 2.1037E-02 1.0815E-05 8.3501E-04 2.5798E-04 9.4430E-05 3.6112E-05 1.7374E-05 4.4678E-02 % --- Zircaloy in cladding and guide tube: mat can 40000.06c 26000.06c 4.004642E-02 3.9550E-02 1.3830E-04 11.1 Quick start 24000.06c 8016.06c 147 7.0720E-05 2.8740E-04 % --- Water with 550 ppm boron: mat water 1001.06c 8016.06c 5010.06c 5011.06c 7.088200E-02 4.7240E-02 2.3620E-02 4.3210E-06 1.7390E-05 moder lwtr 1001 % --- Thermal scattering data for light water: therm lwtr lwj3.11t % -----------------------------------------------------------% --- Parameters ("param block"): % --- Periodic boundary condition: set bc 3 % --- Group constant generation: % universe = 200 (homogenization over MOX assembly) % symmetry = 8 % 2-group structure (group boundary at 0.625 eV) set gcu set sym set nfg 200 8 2 0.625E-6 % --- Neutron population and criticality cycles: set pop 2000 500 20 % -----------------------------------------------------------% --- Geometry ("geom block"): % --- UOX Pin ("unit 1"): pin 1 UO2 0.41260 can 0.47400 water 11.1 Quick start 148 % --- Guide tube ("unit 2"): pin 2 water 0.57100 can 0.61300 water % --- MOX Pins ("units 3-5"): pin 3 MOX1 can water 0.41260 0.47400 pin 4 MOX2 can water 0.41260 0.47400 pin 5 MOX3 can water 0.41260 0.47400 % --- UOX-assembly ("unit 100"): surf 1000 cell 100 cell 101 sqc 100 100 0.0 0.0 10.727 fill 110 water -1000 1000 % --- MOX-assembly ("unit 200"): surf 2000 cell 200 cell 201 sqc 200 200 0.0 0.0 10.727 fill 210 water -2000 2000 % --- Core lattice ("global unit 0"): surf 3000 cell 300 cell 301 sqc 0 0 0.0 0.0 21.612 fill 300 outside -3000 3000 % -----------------------------------------------------------% --- Lattices ("array block"): 11.1 Quick start 149 % --- UOX pin lattice: lat 110 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 0.0 0.0 17 17 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1.262 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 % --- MOX pin lattice: lat 210 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 3 3 4 4 4 4 2 4 4 2 4 4 2 4 4 4 4 3 3 4 4 2 4 5 5 5 5 5 5 5 4 2 4 4 3 1 3 4 4 4 5 5 5 5 5 5 5 5 5 4 4 4 3 3 4 2 5 5 2 5 5 2 5 5 2 5 5 2 4 3 0.0 0.0 17 17 3 4 4 5 5 5 5 5 5 5 5 5 5 5 4 4 3 3 4 4 5 5 5 5 5 5 5 5 5 5 5 4 4 3 3 4 2 5 5 2 5 5 2 5 5 2 5 5 2 4 3 3 4 4 5 5 5 5 5 5 5 5 5 5 5 4 4 3 3 4 4 5 5 5 5 5 5 5 5 5 5 5 4 4 3 3 4 2 5 5 2 5 5 2 5 5 2 5 5 2 4 3 3 4 4 4 5 5 5 5 5 5 5 5 5 4 4 4 3 1.262 3 4 4 2 4 5 5 5 5 5 5 5 4 2 4 4 3 3 4 4 4 4 2 4 4 2 4 4 2 4 4 4 4 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 3 % --- Core lattice: lat 300 1 0.0 0.0 3 3 21.612 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 11.2 Burnup calculation examples 100 100 100 100 200 100 100 100 100 % -----------------------------------------------------------% --- Plotters ("plot block"): % --- Geometry and mesh plots: plot 3 500 500 mesh 3 500 500 % ------------------------------------------------------------ 11.2 Burnup calculation examples 11.2.1 Pin-cell burnup calculation % --- Pin-cell burnup calculation ---------------------------set title "Pin-cell burnup calculation" % --- Pin definition: pin 1 fuel clad water 0.412 0.475 % --- Geometry: surf 1 sqc 0.0 0.0 0.665 cell 1 cell 2 0 0 fill 1 outside -1 1 % --- Fuel (composition given in atomic densities): mat fuel -10.045 burn 1 92234.09c 6.15169E+18 92235.09c 6.89220E+20 92236.09c 3.16265E+18 92238.09c 2.17103E+22 150 11.2 Burnup calculation examples 6012.09c 7014.09c 8016.09c 9.13357E+18 1.04072E+19 4.48178E+22 % --- Zircalloy cladding: mat clad 40000.06c 50000.06c 26000.06c -6.560 -0.9791 -0.0159 -0.0050 % --- Water (composition given in atomic densities): mat water 1001.06c 8016.06c 5010.06c 5011.06c -0.7569 moder lwtr 1001 5.06153E+22 2.53076E+22 2.75612E+18 1.11890E+19 % --- Thermal scattering data for light water: therm lwtr lwj3.11t % --- Cross section library file path: set acelib "/xs/sss_jeff31.xsdata" % --- Periodic boundary condition: set bc 3 % --- Group constant generation: % universe = 0 (homogenization over all space) % symmetry = 12 % 2-group structure (group boundary at 0.625 eV) set gcu set sym set nfg 0 12 2 0.625E-6 % --- Neutron population and criticality cycles: set pop 2000 500 20 % --- Geometry and mesh plots: plot 3 500 500 151 11.2 Burnup calculation examples mesh 3 500 500 % --- Decay and fission yield libraries: set declib "/xs/JEFF311RDD" set nfylib "/xs/JEFF31NFY" % --- Reduce energy grid size: set egrid 5E-5 1E-9 15.0 % --- Cut-offs: set set set set fpcut stabcut ttacut xsfcut 1E-9 1E-12 1E-18 1E-6 % --- Options for burnup calculation: set set set set bumode pcc xscalc printm 1 1 2 0 % % % % TTA method Predictor-corrector calculation on Cross sections from spectrum No material compositions % --- Depletion steps: % Power density 40 kW/kgU % Depletion steps given in units of total burnup set powdens 40.0E-3 dep butot 0.1 0.5 1 5 10 15 20 25 30 35 40 % --- Isotope list for inventory calculation: 152 11.2 Burnup calculation examples set inventory 922340 922350 922360 922380 932370 942380 942390 942400 942410 942420 952410 952430 420990 430990 441010 451030 471090 551330 621470 621490 621500 621510 621520 601430 601450 631530 641550 % ------------------------------------------------------------ 11.2.2 PWR assembly burnup calculation set title "PWR Burnup Calculation Based on NEA Benchmark" % --- Fuel pins: pin 10 UO2 clad water pin 11 UO2 clad 0.4025 0.4750 0.4025 0.4750 153 11.2 Burnup calculation examples water pin 12 UO2 clad water 0.4025 0.4750 pin 13 UO2 clad water 0.4025 0.4750 pin 14 UO2 clad water 0.4025 0.4750 pin 15 UO2 clad water 0.4025 0.4750 pin 16 UO2 clad water 0.4025 0.4750 pin 17 UO2 clad water 0.4025 0.4750 pin 18 UO2 clad water 0.4025 0.4750 pin 19 UO2 clad water 0.4025 0.4750 pin 20 UO2 clad water 0.4025 0.4750 pin 21 154 11.2 Burnup calculation examples UO2 clad water 0.4025 0.4750 pin 22 UO2 clad water 0.4025 0.4750 pin 23 UO2 clad water 0.4025 0.4750 pin 24 UO2 clad water 0.4025 0.4750 pin 25 UO2 clad water 0.4025 0.4750 pin 26 UO2 clad water 0.4025 0.4750 pin 27 UO2 clad water 0.4025 0.4750 pin 28 UO2 clad water 0.4025 0.4750 pin 29 UO2 clad water 0.4025 0.4750 pin 30 UO2 clad water 0.4025 0.4750 155 11.2 Burnup calculation examples pin 31 UO2 clad water 0.4025 0.4750 pin 32 UO2 clad water 0.4025 0.4750 pin 33 UO2 clad water 0.4025 0.4750 pin 34 UO2 clad water 0.4025 0.4750 pin 35 UO2 clad water 0.4025 0.4750 pin 36 UO2 clad water 0.4025 0.4750 pin 37 UO2 clad water 0.4025 0.4750 pin 38 UO2 clad water 0.4025 0.4750 pin 39 UO2 clad water 0.4025 0.4750 pin 40 UO2 0.4025 156 11.2 Burnup calculation examples clad water 0.4750 pin 41 UO2 clad water 0.4025 0.4750 pin 42 UO2 clad water 0.4025 0.4750 pin 43 UO2 clad water 0.4025 0.4750 pin 44 UO2 clad water 0.4025 0.4750 pin 45 UO2 clad water 0.4025 0.4750 % --- Gd-pins: pin 50 UO2Gd clad water 0.4025 0.4750 pin 51 UO2Gd clad water 0.4025 0.4750 pin 52 UO2Gd clad water 0.4025 0.4750 % --- Guide tube: pin 90 157 11.2 Burnup calculation examples water tube water 158 0.5730 0.6130 % --- Pin lattice: lat 110 1 0.0 0.0 17 17 1.265 45 44 43 42 41 40 39 38 37 38 39 40 41 42 43 44 45 42 34 27 90 24 23 22 21 51 21 22 23 24 90 27 34 42 41 33 52 24 20 19 18 17 16 17 18 19 20 24 52 33 41 38 30 25 21 17 14 13 11 10 11 13 14 17 21 25 30 38 44 36 35 34 33 32 31 30 29 30 31 32 33 34 35 36 44 43 35 28 27 52 90 26 25 90 25 26 90 52 27 28 35 43 40 32 90 23 19 90 15 14 90 14 15 90 19 23 90 32 40 39 31 26 22 18 15 50 13 12 13 50 15 18 22 26 31 39 38 30 25 21 17 14 13 11 10 11 13 14 17 21 25 30 38 37 29 90 51 16 90 12 10 90 10 12 90 16 51 90 29 37 39 31 26 22 18 15 50 13 12 13 50 15 18 22 26 31 39 40 32 90 23 19 90 15 14 90 14 15 90 19 23 90 32 40 % --- assembly data: surf surf 1000 1001 cell 110 cell 111 cell 112 sqc sqc 0 0 0 0.0 0.0 10.752 0.0 0.0 10.806 fill 110 water outside -1000 1000 -1001 1001 % --- Materials: mat UO2 92234.09c 92235.09c 92238.09c 8016.09c 6.7402E-02 9.1361E-06 9.3472E-04 2.1523E-02 4.4935E-02 burn 1 mat UO2Gd 92234.09c 92235.09c 92238.09c 64154.09c 6.8366E-02 4.2940E-06 5.6226E-04 2.0549E-02 4.6173E-05 burn 10 41 33 52 24 20 19 18 17 16 17 18 19 20 24 52 33 41 42 34 27 90 24 23 22 21 51 21 22 23 24 90 27 34 42 43 35 28 27 52 90 26 25 90 25 26 90 52 27 28 35 43 44 36 35 34 33 32 31 30 29 30 31 32 33 34 35 36 44 45 44 43 42 41 40 39 38 37 38 39 40 41 42 43 44 45 11.2 Burnup calculation examples 64155.09c 64156.09c 64157.09c 64158.09c 64160.09c 8016.09c 2.9711E-04 4.1355E-04 3.1518E-04 4.9786E-04 4.3764E-04 4.5243E-02 mat clad 26000.06c 24000.06c 40000.06c 3.8510E-02 1.3225E-04 6.7643E-05 3.8310E-02 mat tube 26000.06c 24000.06c 40000.06c 4.3206E-02 1.4838E-04 7.5891E-05 4.2982E-02 mat water 1001.06c 8016.06c 5010.06c 5011.06c 7.2216E-02 4.8132E-02 2.4066E-02 3.6487E-06 1.4686E-05 moder lwtr 1001 therm lwtr lwj3.11t % --- Cross section library file path: set acelib "/xs/sss_jeff31.xsdata" % --- Periodic boundary condition: set bc 3 % --- Neutron population and criticality cycles: set pop 5000 500 20 % --- Geometry and mesh plots: plot 3 500 500 mesh 3 500 500 % --- Decay and fission yield libraries: set declib "/xs/JEFF311RDD" set nfylib "/xs/JEFF31NFY" % --- Reduce energy grid size: 159 11.2 Burnup calculation examples set egrid 5E-5 1E-9 15.0 % --- Cut-offs: set fpcut 1E-6 set stabcut 1E-12 % --- Options for burnup calculation: set bumode set pcc set xscalc 2 1 2 % CRAM method % Predictor-corrector calculation on % Cross sections from spectrum % --- Irradiation cycle: set powdens 38.6E-3 dep butot 0.10000 0.50000 1.00000 1.50000 2.00000 2.50000 3.00000 3.50000 4.00000 4.50000 5.00000 5.50000 6.00000 6.50000 7.00000 7.50000 8.00000 8.50000 9.00000 9.50000 10.00000 10.50000 11.00000 11.50000 12.00000 12.50000 13.00000 13.50000 160 11.2 Burnup calculation examples 14.00000 14.50000 15.00000 17.50000 20.00000 22.50000 25.00000 27.50000 30.00000 32.50000 35.00000 37.50000 40.00000 % --- Nuclide inventory: set inventory 922340 922350 922360 922370 922380 922390 932360 932370 932380 932390 942360 942380 942390 942400 942410 942420 942430 952410 952420 952430 952440 952421 962420 962430 962440 962450 962460 962470 962480 962490 161 972490 972500 982490 982500 982510 982520 360830 451030 451050 471090 531350 541310 541350 551330 551340 551350 551370 561400 571400 601430 601450 611470 611480 611490 611481 621470 621490 621500 621510 621520 631530 631540 631550 631560 641520 641540 641550 641560 641570 641600 % ------------------------------------------------------------ 162 Bibliography [1] GD Graphics Library. URL www.libgd.org. [2] S. M. Girard, editor. MCNP – A General Monte Carlo N-Particle Transport Code, Version 5 Volume I: Overview and Theory. LA-UR-03-1987. Los Alamos National Laboratory, 2003. [3] The Message Passing Interface (MPI) Standard. URL www-unix.mcs.anl.gov/mpi/, reviewed March 2006. [4] OECD/NEA Data Bank Home Page. URL www.nea.fr/html/databank/. [5] R. E. MacFarlane and D. W. Muir. The NJOY Nuclear Data Processing System. LA-12740-M. Los Alamos National Laboratory, 1994. [6] V. McLane, editor. ENDF-102, Data Formats and Procedures for the Evaluated Nuclear Data File ENDF-6. BNL-NCS-44945-01/04-Rev. Brookhaven National Laboratory, 2001. [7] N. Messaoudi and B.-C. Na. VENUS-2 MOX-fuelled Reactor Dosimetry Calculations, Final Report. NEA/NSC/DOC(2005)22. OECD/NEA, 2004. [8] J. Leppänen. Randomly Dispersed Particle Fuel Model in the PSG Monte Carlo Neutron Transport Code. In Proc. Joint International Topical Meeting on Mathematics & Computation and Supercomputing in Nuclear Applications (M&C + SNA 2007). Monterey, California, April 15–19 2007. [9] F. Brown et al. MCNP Calculations for the OECD/NEA Source Convergence Benchmarks for Criticality Safety Analysis. LA-UR-01-5181. Los Alamos National Laboratory, 2001. [10] J. Ueki and F. B. Brown. Stationarity and Source Convergence in Monte Carlo Criticality Calculation. LA-UR-02-6228. Los Alamos National Laboratory, 2002. [11] T. Yamamoto, T. Nakamura and Y. Miyoshi. Fission Source Convergence of Monte Carlo Criticality Calculations in Weakly Coupled Fissile Arrays. J. Nucl. Sci. Technol., 37 (2000) 41–52. [12] R. N. Blomquist et al. Source Convergence in Criticality Safety Analyses, Phase I: Results for Four Test Problems. NEA No. 5431. OECD/NEA, 2006. 163 [13] The NEA Expert Group on Source Convergence in Criticality-Safety Analysis. URL www.nea.fr/html/science/wpncs/convergence/, Reviewed March 2007. [14] F. B. Brown. On the Use of Shannon Entropy of the Fission Distribution for Assessing Convergence of Monte Carlo Criticality Calculations. In Proc. PHYSOR-2006 American Nuclear Society’s Topical Meeting on Reactor Physics Organized and hosted by the Canadian Nuclear Society. Vancouver, BC, Canada, Sept. 10–14 2006. [15] J. Leppänen. Development of a New Monte Carlo Monte Carlo Reactor Physics Code. D.Sc. thesis, Helsinki University of Technology, 2007. VTT Publications 640. [16] J. Leppänen. Two practical methods for unionized energy grid construction in continuous-energy Monte Carlo neutron transport calculation. Ann. Nucl. Energy, 36 (2009) 878–885. [17] B. Becker, R. Dagan and G. Lochnert. Proof and implementation of the stochastic formula for ideal gas, energy dependent scattering kernel. Ann. Nucl. Energy, 36 (2009) 470–474. [18] J. Leppänen. Performance of Woodcock Delta-Tracking in Lattice Physics Applications Using the Serpent Monte Carlo Reactor Physics Burnup Calculation Code. Ann. Nucl. Energy, 37 (2010) 715–722. [19] D. E. Cullen et al. Static and Dynamic Criticality: Are They Different? UCRL-TR-201506. Lawrence Livermore National Laboratory, 2003. [20] J. Leppänen. Current Status of the PSG Monte Carlo Neutron Transport Code. In Proc. PHYSOR-2006 American Nuclear Society’s Topical Meeting on Reactor Physics Organized and hosted by the Canadian Nuclear Society. Vancouver, BC, Canada, Sept. 10–14 2006. [21] M. Pusa and J. Leppänen. Computing the Matrix Exponential in Burnup Calculations. Nucl. Sci. Eng., 164 (2010) 140–150. 164


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