the necp-atlas nuclear data processing code, version...
TRANSCRIPT
NECP-19-001
The NECP-Atlas Nuclear data processing code,
version 1.2
Nuclear Engineering Computational Physics Lab.
Xi’an Jiaotong University
Contributing Authors
Tiejun Zu
Jialong Xu
Fei Zhao
Yongqiang Tang
Huchao Bi
Current Editor: Jialong Xu
December 27, 2018
1
1. Requirement and Installation
1.1 Requirement
NECP-Atlas includes binary executable codes for WINDOWS 7+.
Minimum requirements
The installation of NECP-Atlas code system requires at least 4 GB RAM. The main
frequency of CPU needs to be higher than 2.0 GHz. Also, additional disk space is required to
store output results when running NECP-Atlas code.
Recommended requirements
To achieve better performance of running NECP-Atlas code, 8 GB or more RAM is
recommended. The main frequency of CPU needs to be higher than 3.0 GHz. The requirement
of hard disk space is as same as Minimum requirements.
The executable codes for all platforms were created using MinGW 7.2.0.
1.2 Installation
The binary executable codes and dynamic link libraries (DLL) are included in the
compressed file Atlas.rar.
Uncompressing the file and the installation directory includes files as follows:
1.3 Running the code system
The executable code is Atlas.exe. The input file is atlas.in.
2
The executable code and the input file should be put on the same path.
2. Input description
The name of input file should not be changed.
The input file is made up by 2 blocks.
FILE: Names of the files to be processed.
MOD: Processing modules to be used.
Free-form input is handled by the standard Fortran-90 READ. All the blank lines in the
input file will not be read.
Multiple comment cards are allowed and each must start with the three character string
“dash” “dash” “space”(-- ).
Lines can be terminated early with the slash (/) symbol, leaving any variables not
provided at their default values. Whether all input variables are defined in a user’s input record
or not we recommend that every input record be terminated with a slash (/).This assures that
all variables have been read, or assigned their default values, and provides a more robust input
file if future code changes specify additional input variables. In the absence of a slash, Fortran
I/O rules may cause the next input record to be read; an action that is certain to cause the job
to crash.
Real numbers can be entered in a variety of forms; 1, 1., 1.e0, and 1e0 should all be
equivalent.
The standard running procedure of NECP-Atlas is as follows:
1. Reading all the file (ENDF/PENDF/GENDF), which is controlled by the FILE block;
2. Executing the processing module one by one, which is controlled by the MOD block.
2.1 FILE block
In this block, all the file (ENDF/PENDF/GENDF) will be read into the memory.
The input instructions are as follows:
card 1(optional)
path: The path of file (default = ./)
card 2(optional)
gendf: Flag for GENDF reading
gendf_ow_on: Flag for GENDF reading with overwriting same MF-MT data
3
gendf_ow_off: Flag for GENDF reading without overwriting same MF-MT
data
Note: users should only use one flag (“gendf:” or “gendf_ow_on:” or
“gendf_ow_off:”) >
card 3
filename Name of the file
Note: card 1, 2, 3 can be repeated for several times to let NECP-Atlas read several
files for one isotope
Note: FILE block must read the original ENDF file first (e.g. ENDF/B); The block must
end with the key word “exit_file”
Some sample inputs.
Mount the ENDF/B file for 238U. The ENDF/B file is on the same path of NECP-Atlas.
n-092_U_238.endf
exit_file
Mount the PENDF file for 238U. The ENDF/B file is on the path of “D:\ENDFB\”
path:
D:\ENDFB\
U238pendf
exit_file
Mount the GENDF file for 238U. The ENDF/B file is on the path of “D:\GENDF\”
path:
D:\GENDF\
gendf:
U238gendf
exit_file
2.2 MOD block
In this block, the nuclear data will be processed by the modules in NECP-Atlas.
Sample input
4
atlas_mod
module_name_1
…
module_name_2
…
module_name_...
…
exit_mod
Note: MOD block must begin with the keyword “atlas_mod”; MOD block must end with the
keyword “exit_mod”
2.2.1 recon_calc
card 1
mat MAT # in ENDF
outp_flag print option
0 - no output
1 - output (default)
card 2
err fractional tolerance used when resonance-integral error
criterion (see errint) is not satisfied (default=0.1%)
tempr reconstruction temperature (deg kelvin) (default=0)
errmax fractional tolerance used when resonance-integral error
criterion is satisfied (errmax.ge.err, default=10*err)
errint maximum resonance-integral error (in barns) per grid point
(default=err/20000)
5
2.2.2 broad_calc
card 1
mat MAT # in ENDF
ntemp # of final temperatures (default=1)
outp_flag print option
0 - no output
1 - output (default)
card 2
err fractional tolerance used when resonance-integral error
criterion (see errint) is not satisfied (default=0.1%)
thnmax max. energy for broadening and thinning (default=6.5 MeV)
errmax fractional tolerance used when resonance-integral error
criterion is satisfied (errmax.ge.err, default=10*err)
errint maximum resonance-integral error (in barns) per grid point
(default=err/20000)
card 3
temp final temperatures (deg Kelvin)
6
2.2.3 unres_calc
card 1
mat MAT # in ENDF
ntemp # of final temperatures (default=1)
nsig0 # of sigma zeroes (default=1)
outp_flag print option
0 - no output
1 - output (default)
option1 unassigned (default=1)
card 2
temp final temperatures (deg Kelvin)
card 3
sig0 sigma zero values
card 4
method method to calculate fluctuation intrgral
0 - MC2 method (default)
1 - Conjugate gradient method
2 - Integral statistical theory (proposed by Richard N. Hwang)
big_jump maximum energy step of the energy grid (default=1.26)
7
2.2.4 table_calc
card 1
mat MAT # in ENDF
ntemp # of final temperatures (default=1)
nsig0 # of sigma zeroes (default=1)
nbin # of probability bins (default=20)
nladder # of resonance ladders (default=100)
outp_flag print option
0 - no output
1 - output (default)
option1 unassigned (default=1)
option2 unassigned (default=1)
big_jump maximum energy step of the energy grid (default=1.26)
theadnum # of threads for ladder sampling parallelization
card 2
temp final temperatures (deg Kelvin)
card 3
sig0 sigma zero values
8
2.2.5 therm_calc
card 1
mat_tsl MAT # in TSL
mat MAT # in ENDF
nbin # of probability bins (default=12)
ntemp # of final temperatures (default=1)
outp_flag print option
0 - no output
1 - output (default)
card 2
temp final temperatures (deg Kelvin)
card 3
emax maximum energy for thermal treatment (default = 4eV)
tol tolerance (default = 0.1%)
9
2.2.6 group_calc
card 1
inc_za ZA # of the incident particle (default=1)
cou_za ZA # of the coupled particle (default=1)
iso_num # of isotopes
Note: It should be larger than 2, so the File block needs read the
files of two isotopes at least.
option1 unassigned (default=1)
ig_inc incident particle group structure option
ig_cou coupled particle group structure option
iwt wight function option
option2 unassigned (default=0)
ntemp # of temperatures
norder Legendre order (default=1)
ncase # of cases(sigma zeroes)
therm_norm flag to normalize flux in thermal range
0 - do not normalize
1 - normalize
--- ig_inc=1 only ---
card 2a
ng_inc # of groups
card 2b
eg_inc ng_inc+1 group breaks (eV)
--- ig_cou=1 only ---
card 3a
ng_cou # of groups
card 3b
eg_cou ng_cou+1 group breaks (eV)
--- iwt =1 only ---
card 4a
wght read weight function as TAB1 record in ENDF-6 format.
--- iwt=4 only ---
10
card 5a
eb thermal break (ev)
tb thermal temperature (ev)
ec fission break (ev)
tc fission temperature (ev)
card 6
temp final temperatures (deg Kelvin)
card 7
sig0 sigma zero values
card 8
mat MAT # of iso_num isotopes
card 9
res_flag resonance flag
0 – non-resonance isotope
1 – resonance isotope
option1 unassigned (default=1)
Note: If iso_num > 1, card 9 will be desired and repeating card 9 for iso_num times.
Note: the default values can be calculated based on the sig0. If the values are
specified, sig0 will be recalculated.
card 10
nfg # of hyper-fine group (default: evaluated by code with
lethargy width equal to 2.55E-5)
ehi_th highest break for thermal range slowing down solver (default
= 100eV)
Note: resonance elastic scattering kernel data should be read.
elo_th lowest break for thermal range slowing down solver (default =
0.1eV)
Note: resonance elastic scattering kernel data should be read.
ehi_wtf highest break for using asymptotic spectrum
card 11
mf MF in ENDF to be processed
mt MT in ENDF to be processed (default=0)
11
Note: if mt=0, NECP-Atlas will process all the MT in mf. mf=0/ terminates the
processing.
Note: MF1, MF3, MF4, MF5, MF6, MF9, MF10 are available.
---Options for input variables----------------------------------------------------
ig_inc meaning
-------- ----------
1 arbitrary structure (read in)
2 csewg 239-group structure
3 lanl 30-group structure
4 anl 27-group structure
5 rrd 50-group structure
6 gam-i 68-group structure
7 gam-ii 100-group structure
8 laser-thermos 35-group structure
9 epri-cpm 69-group structure
10 lanl 187-group structure
11 lanl 70-group structure
12 sand-ii 620-group structure
13 lanl 80-group structure
14 eurlib 100-group structure
15 sand-iia 640-group structure
16 vitamin-e 174-group structure
17 vitamin-j 175-group structure
18 xmas 172-group structure
19 ecco 33-group structure
20 ecco 1968-group structure
21 tripoli 315-group structure
22 Santamarina-Hfaiedh 361-group structure
23 Santamarina-Hfaiedh 281-group structure
24 helios 190-group structure (old)
25 helios 112-group structure (old)
26 helios 45-group structure
12
27 helios 190-group structure (new)
28 helios 112-group structure (new)
29 helios 47-group structure
ig_cou meaning
-------- ----------
0 none
1 arbitrary structure (read in)
2 csewg 94-group structure
3 lanl 12-group structure
4 steiner 21-group gamma-ray structure
5 straker 22-group structure
6 lanl 48-group structure
7 lanl 24-group structure
8 vitamin-c 36-group structure
9 vitamin-e 38-group structure
10 vitamin-j 42-group structure
iwt meaning
---- ----------
1 read in smooth weight function
2 constant
3 1/e
4 1/e + fission spectrum + thermal maxwellian
5 epri-cell lwr
6 (thermal) -- (1/e) -- (fission + fusion)
7 same with temperature-dep thermal part
8 thermal--1/e--fast reactor--fission + fusion
9 claw weight function
10 claw with t-dependent thermal part
11 vitamin-e weight function (ornl-5505)
12 vitamin-e with t-dep thermal part
13
13 IAEA weight function
14 IAEA weight function (Pa, Th, 233U, 232U)
15 IAEA weight function (2H)
14
2.2.7 wims_outp
card 1
iverw wims version
4 - wims-d (default)
5 - wims-e
igroup group option
0 - 69 groups (default)
9 - user’s choice
inatural natual nuclide option
0 - unnatural (default)
1 - natural
--- igroup=9 only ---
card 2a
ngnd # of groups
nfg # of fast groups
nrg # of resonance groups
igref reference group (default is last fast group)
card 3
mat MAT # in ENDF
nfid not used
rdfid identification of material for the wims library
iburn burnup data option
-1 - suppress printout of burnup data
0 - no burnup data is provided (default)
1 - burnup data is provided in cards 5 and 6
card 4
sgref reference sigma zero
ires resonance absorber indicator
0 - no resonance tables
>0 - include resonance tables
sigp potential cross section from ENDF
mti thermal inelastic mt (default = 221)
15
mtc thermal elastic mt (default = 222)
ip1opt include p1 matrices
0 - yes
1 - no, correct p0 ingroups (default)
inorf resonance fission (if found)
0 - include resonance fission (default)
1 - do not include
isof fission spectrum
0 - do not include fission spectrum (default)
1 - include fission spectrum
ifprod fission product flag
0 - not a fission product (default)
1 - fission product, no resonance tables
2 - fission product, resonance tables
jp1 transport correction neutron current spectrum flag
0 - use p1-flux for transport correction (default)
>0 - read in jp1 values of the neutron current spectrum from
input
--- the following cards 5 and 6 are for iburn > 0 only ---
card 5
ntis # of time-dependent isotopes
2 - for burnable materials
>2 - for fissile materials when fission product yields are given.
efiss energy released per fission
card 6a
identa ident of capture product isotope
yield yield of product identa from capture
card 6b
identa ident of decay product isotope (zero if stable)
lambda decay constant (s-1)
card 7
lambda resonance-group Goldstein lambdas (13 for default 69-group
16
structure, nrg otherwise)
--- jp1>0 only ---
card 8
p1flx current spectrum (jp1 entries read, the rest are set with the
default p1-flux calculated by NECP-Atlas)
17
2.2.8 necpx_outp
card 1
mat # of MAT in ENDF
nfid identification of material for the wims library
kinetic kinetic data output option
0 - no output
1 - output (default)
igroup group option
0 - 69 groups (default, 12 fast groups, 33 resonance groups)
9 - user’s choice
activation activation library option
0 - do not generate activation library
1 – generate activation library
--- igroup=9 only ---
card 1a
ngnd # of groups
nfg_ri # of fast groups
nrg_ri # of resonance groups
ntg_dep last temperature-independent group
igref reference group (default is last fast group)
jp1 transport correction neutron current spectrum flag
0 - use p1-flux for transport correction (default)
>0 - read in jp1 values of the neutron current spectrum from
input
card 2
sgref reference sigma zero
ires resonance absorber indicator (defined by NECP-Atlas)
sigp potential cross section from ENDF (defined by NECP-Atlas)
mti thermal inelastic mt (default=221)
mtc thermal elastic mt (default=222)
ip1opt Legendre order of scattering matrices
Default:
18
5 - H
1 - D, O, C
0 - others
true_p0 flag to generate true corrected P0 matrices and transport XS
(default = 1)
0 - generate corrected data
1- do not generate corrected data
true_xtr corrected transport XS option (default = 0)
0 - using 0th order total XS
1 - using 1st order total XS
temp_dep temperature-dependent option for first to ntg_dep group
0 - temperature-independent
1 - temperature-dependent (default)
inorf resonance fission (if found)
0 - include resonance fission (default)
1 - do not include
lamda_dep First lamda_dep Goldstein-Cohen lambdas will be read, the rest
equal to the lamda_dep Goldstein-Cohen lambda
card 3
lambda resonance-group Goldstein lambdas
card 4a
p1flx current spectrum (jp1 entries read, the rest are set with the
default p1-flux calculated by NECP-Atlas)
Note:
For the default group structure option, the default p1flx is
coded.
card 5
message comments by users.
19
2.2.9 ace_outp
card 1
iopt Type of ace_outp run option
1 – fast data
2 – thermal data
suff id suffix for zaid (default=.00)
--- fast data (iopt=1 only) ---
card 2
mat # of MAT in ENDF
temp temperature desired (kelvin)
--- thermal data (iopt=2 only) ---
card 3
mat # of MAT in ENDF
temp temperature desired (kelvin)
zaid_name thermal zaid name ( 6 char max)
atom_types number of atom types in mixed moderator (default=1)
card 4
iza01 moderator component za value (maximum 10)
Iza02 …
card 5
nieb number of inelastic exiting energies (default=16)
emax maximum energy for thermal treatment (ev)(default=4)
iwt weighting option
0/1/2=variable/constant/tabulated (default=0)