mirror of
https://github.com/openmc-dev/openmc.git
synced 2026-07-26 13:15:39 -04:00
limited functionality for RM covariance only
This commit is contained in:
Isaac Meyer
parent
af4f86add0
commit
f741c210dd
4 changed files with 312 additions and 553 deletions
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@ -28,9 +28,7 @@
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{
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"cell_type": "code",
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"execution_count": 1,
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"metadata": {
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"collapsed": false
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},
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"metadata": {},
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"outputs": [
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{
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"data": {
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@ -134,9 +132,7 @@
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{
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"cell_type": "code",
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"execution_count": 2,
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"metadata": {
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"collapsed": false
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},
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"metadata": {},
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"outputs": [],
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"source": [
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"%matplotlib inline\n",
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@ -157,9 +153,7 @@
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{
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"cell_type": "code",
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"execution_count": 3,
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"metadata": {
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"collapsed": true
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},
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"metadata": {},
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"outputs": [],
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"source": [
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"# Instantiate some Nuclides\n",
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@ -180,9 +174,7 @@
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{
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"cell_type": "code",
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"execution_count": 4,
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"metadata": {
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"collapsed": true
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},
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"metadata": {},
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"outputs": [],
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"source": [
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"# Instantiate a Material and register the Nuclides\n",
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@ -205,9 +197,7 @@
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{
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"cell_type": "code",
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"execution_count": 5,
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"metadata": {
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"collapsed": true
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},
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"metadata": {},
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"outputs": [],
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"source": [
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"# Instantiate a Materials collection and export to XML\n",
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@ -225,9 +215,7 @@
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{
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"cell_type": "code",
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"execution_count": 6,
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"metadata": {
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"collapsed": true
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},
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"metadata": {},
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"outputs": [],
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"source": [
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"# Instantiate boundary Planes\n",
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@ -247,9 +235,7 @@
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{
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"cell_type": "code",
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"execution_count": 7,
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"metadata": {
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"collapsed": false
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},
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"metadata": {},
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"outputs": [],
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"source": [
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"# Instantiate a Cell\n",
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@ -272,9 +258,7 @@
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{
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"cell_type": "code",
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"execution_count": 8,
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"metadata": {
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"collapsed": true
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},
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"metadata": {},
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"outputs": [],
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"source": [
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"# Instantiate Universe\n",
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@ -292,9 +276,7 @@
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{
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"cell_type": "code",
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"execution_count": 9,
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"metadata": {
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"collapsed": false
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},
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"metadata": {},
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"outputs": [],
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"source": [
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"# Create Geometry and set root Universe\n",
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@ -315,9 +297,7 @@
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{
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"cell_type": "code",
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"execution_count": 10,
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"metadata": {
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"collapsed": true
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},
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"metadata": {},
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"outputs": [],
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"source": [
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"# OpenMC simulation parameters\n",
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@ -351,9 +331,7 @@
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{
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"cell_type": "code",
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"execution_count": 11,
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"metadata": {
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"collapsed": false
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},
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"metadata": {},
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"outputs": [],
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"source": [
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"# Instantiate a 2-group EnergyGroups object\n",
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@ -390,9 +368,7 @@
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{
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"cell_type": "code",
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"execution_count": 12,
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"metadata": {
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"collapsed": false
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},
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"metadata": {},
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"outputs": [],
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"source": [
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"# Instantiate a few different sections\n",
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@ -415,21 +391,19 @@
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{
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"cell_type": "code",
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"execution_count": 13,
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"metadata": {
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"collapsed": false
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},
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"metadata": {},
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"outputs": [
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{
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"data": {
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"text/plain": [
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"OrderedDict([('flux', Tally\n",
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" \tID =\t10000\n",
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" \tID =\t1\n",
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" \tName =\t\n",
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" \tFilters =\tCellFilter, EnergyFilter\n",
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" \tNuclides =\ttotal \n",
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" \tScores =\t['flux']\n",
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" \tEstimator =\ttracklength), ('absorption', Tally\n",
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" \tID =\t10001\n",
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" \tID =\t2\n",
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" \tName =\t\n",
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" \tFilters =\tCellFilter, EnergyFilter\n",
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" \tNuclides =\ttotal \n",
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@ -456,10 +430,19 @@
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{
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"cell_type": "code",
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"execution_count": 14,
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"metadata": {
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"collapsed": false
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},
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"outputs": [],
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"metadata": {},
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"outputs": [
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{
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"name": "stderr",
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"output_type": "stream",
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"text": [
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"/home/icmeyer/miniconda3/lib/python3.6/site-packages/openmc-0.9.0-py3.6-linux-x86_64.egg/openmc/mixin.py:61: IDWarning: Another CellFilter instance already exists with id=3.\n",
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" warn(msg, IDWarning)\n",
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"/home/icmeyer/miniconda3/lib/python3.6/site-packages/openmc-0.9.0-py3.6-linux-x86_64.egg/openmc/mixin.py:61: IDWarning: Another EnergyFilter instance already exists with id=4.\n",
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" warn(msg, IDWarning)\n"
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]
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}
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],
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"source": [
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"# Instantiate an empty Tallies object\n",
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"tallies_file = openmc.Tallies()\n",
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@ -486,172 +469,9 @@
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},
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{
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"cell_type": "code",
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"execution_count": 15,
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"metadata": {
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"collapsed": false
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},
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"outputs": [
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{
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"name": "stdout",
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"output_type": "stream",
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"text": [
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"\n",
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" %%%%%%%%%%%%%%%\n",
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" %%%%%%%%%%%%%%%%%%%%%%%%\n",
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" %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%\n",
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" %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%\n",
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" %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%\n",
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" %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%\n",
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" %%%%%%%%%%%%%%%%%%%%%%%%\n",
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" %%%%%%%%%%%%%%%%%%%%%%%%\n",
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" ############### %%%%%%%%%%%%%%%%%%%%%%%%\n",
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" ################## %%%%%%%%%%%%%%%%%%%%%%%\n",
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" ################### %%%%%%%%%%%%%%%%%%%%%%%\n",
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" #################### %%%%%%%%%%%%%%%%%%%%%%\n",
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" ##################### %%%%%%%%%%%%%%%%%%%%%\n",
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" ###################### %%%%%%%%%%%%%%%%%%%%\n",
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" ####################### %%%%%%%%%%%%%%%%%%\n",
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" ####################### %%%%%%%%%%%%%%%%%\n",
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" ###################### %%%%%%%%%%%%%%%%%\n",
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" #################### %%%%%%%%%%%%%%%%%\n",
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" ################# %%%%%%%%%%%%%%%%%\n",
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" ############### %%%%%%%%%%%%%%%%\n",
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" ############ %%%%%%%%%%%%%%%\n",
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" ######## %%%%%%%%%%%%%%\n",
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" %%%%%%%%%%%\n",
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"\n",
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" | The OpenMC Monte Carlo Code\n",
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" Copyright | 2011-2017 Massachusetts Institute of Technology\n",
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" License | http://openmc.readthedocs.io/en/latest/license.html\n",
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" Version | 0.8.0\n",
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" Git SHA1 | 43b141e9ba542da8b28c078cf2df8a6777cfb2ad\n",
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" Date/Time | 2017-02-28 11:52:00\n",
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" OpenMP Threads | 4\n",
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"\n",
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" ===========================================================================\n",
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" ========================> INITIALIZATION <=========================\n",
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" ===========================================================================\n",
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"\n",
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" Reading settings XML file...\n",
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" Reading geometry XML file...\n",
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" Reading materials XML file...\n",
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" Reading cross sections XML file...\n",
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" Reading H1 from\n",
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" /home/wbinventor/Documents/NSE-CRPG-Codes/openmc/data/nndc_hdf5/H1.h5\n",
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" Reading O16 from\n",
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" /home/wbinventor/Documents/NSE-CRPG-Codes/openmc/data/nndc_hdf5/O16.h5\n",
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" Reading U235 from\n",
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" /home/wbinventor/Documents/NSE-CRPG-Codes/openmc/data/nndc_hdf5/U235.h5\n",
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" Reading U238 from\n",
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" /home/wbinventor/Documents/NSE-CRPG-Codes/openmc/data/nndc_hdf5/U238.h5\n",
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" Reading Zr90 from\n",
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" /home/wbinventor/Documents/NSE-CRPG-Codes/openmc/data/nndc_hdf5/Zr90.h5\n",
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" Maximum neutron transport energy: 2.00000E+07 eV for H1\n",
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" Reading tallies XML file...\n",
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" Building neighboring cells lists for each surface...\n",
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" Initializing source particles...\n",
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"\n",
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" ===========================================================================\n",
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" ====================> K EIGENVALUE SIMULATION <====================\n",
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" ===========================================================================\n",
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"\n",
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" Bat./Gen. k Average k \n",
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" ========= ======== ==================== \n",
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" 1/1 1.11184 \n",
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" 2/1 1.15820 \n",
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" 3/1 1.18468 \n",
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" 4/1 1.17492 \n",
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" 5/1 1.19645 \n",
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" 6/1 1.18436 \n",
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" 7/1 1.14070 \n",
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" 8/1 1.15150 \n",
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" 9/1 1.19202 \n",
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" 10/1 1.17677 \n",
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" 11/1 1.20272 \n",
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" 12/1 1.21366 1.20819 +/- 0.00547\n",
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" 13/1 1.15906 1.19181 +/- 0.01668\n",
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" 14/1 1.14687 1.18058 +/- 0.01629\n",
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" 15/1 1.14570 1.17360 +/- 0.01442\n",
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" 16/1 1.13480 1.16713 +/- 0.01343\n",
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" 17/1 1.17680 1.16852 +/- 0.01144\n",
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" 18/1 1.16866 1.16853 +/- 0.00990\n",
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" 19/1 1.19253 1.17120 +/- 0.00913\n",
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" 20/1 1.18124 1.17220 +/- 0.00823\n",
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" 21/1 1.19206 1.17401 +/- 0.00766\n",
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" 22/1 1.17681 1.17424 +/- 0.00700\n",
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" 23/1 1.17634 1.17440 +/- 0.00644\n",
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" 24/1 1.13659 1.17170 +/- 0.00654\n",
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" 25/1 1.17144 1.17169 +/- 0.00609\n",
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" 26/1 1.20649 1.17386 +/- 0.00610\n",
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" 27/1 1.11238 1.17024 +/- 0.00678\n",
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" 28/1 1.18911 1.17129 +/- 0.00647\n",
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" 29/1 1.14681 1.17000 +/- 0.00626\n",
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" 30/1 1.12152 1.16758 +/- 0.00641\n",
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" 31/1 1.12729 1.16566 +/- 0.00639\n",
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" 32/1 1.15399 1.16513 +/- 0.00612\n",
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" 33/1 1.13547 1.16384 +/- 0.00599\n",
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" 34/1 1.17723 1.16440 +/- 0.00576\n",
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" 35/1 1.09296 1.16154 +/- 0.00622\n",
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" 36/1 1.19621 1.16287 +/- 0.00612\n",
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" 37/1 1.12560 1.16149 +/- 0.00605\n",
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" 38/1 1.17872 1.16211 +/- 0.00586\n",
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" 39/1 1.17721 1.16263 +/- 0.00568\n",
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" 40/1 1.13724 1.16178 +/- 0.00555\n",
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" 41/1 1.18526 1.16254 +/- 0.00542\n",
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" 42/1 1.13779 1.16177 +/- 0.00531\n",
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" 43/1 1.15066 1.16143 +/- 0.00516\n",
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" 44/1 1.12174 1.16026 +/- 0.00514\n",
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" 45/1 1.17478 1.16068 +/- 0.00501\n",
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" 46/1 1.14146 1.16014 +/- 0.00489\n",
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" 47/1 1.20464 1.16135 +/- 0.00491\n",
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" 48/1 1.15119 1.16108 +/- 0.00479\n",
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" 49/1 1.17938 1.16155 +/- 0.00468\n",
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" 50/1 1.15798 1.16146 +/- 0.00457\n",
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" Creating state point statepoint.50.h5...\n",
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"\n",
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" ===========================================================================\n",
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" ======================> SIMULATION FINISHED <======================\n",
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" ===========================================================================\n",
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"\n",
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"\n",
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" =======================> TIMING STATISTICS <=======================\n",
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"\n",
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" Total time for initialization = 3.0114E-01 seconds\n",
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" Reading cross sections = 1.8743E-01 seconds\n",
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" Total time in simulation = 9.7641E+00 seconds\n",
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" Time in transport only = 9.5168E+00 seconds\n",
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" Time in inactive batches = 1.2602E+00 seconds\n",
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" Time in active batches = 8.5039E+00 seconds\n",
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" Time synchronizing fission bank = 5.4293E-03 seconds\n",
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" Sampling source sites = 4.3508E-03 seconds\n",
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" SEND/RECV source sites = 9.9399E-04 seconds\n",
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" Time accumulating tallies = 1.2758E-04 seconds\n",
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" Total time for finalization = 3.6982E-04 seconds\n",
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" Total time elapsed = 1.0075E+01 seconds\n",
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" Calculation Rate (inactive) = 19838.7 neutrons/second\n",
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" Calculation Rate (active) = 11759.3 neutrons/second\n",
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"\n",
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" ============================> RESULTS <============================\n",
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"\n",
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" k-effective (Collision) = 1.15984 +/- 0.00411\n",
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" k-effective (Track-length) = 1.16146 +/- 0.00457\n",
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" k-effective (Absorption) = 1.16177 +/- 0.00380\n",
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" Combined k-effective = 1.16105 +/- 0.00364\n",
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" Leakage Fraction = 0.00000 +/- 0.00000\n",
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"\n"
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]
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},
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{
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"data": {
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"text/plain": [
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"0"
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]
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},
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"execution_count": 15,
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"metadata": {},
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"output_type": "execute_result"
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}
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],
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"execution_count": null,
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"metadata": {},
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"outputs": [],
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"source": [
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"# Run OpenMC\n",
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"openmc.run()"
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},
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{
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"cell_type": "code",
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"execution_count": 16,
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"metadata": {
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"collapsed": false
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},
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"execution_count": null,
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"metadata": {},
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"outputs": [],
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"source": [
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"# Load the last statepoint file\n",
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},
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{
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"cell_type": "code",
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"execution_count": 17,
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"metadata": {
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"collapsed": false
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},
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"execution_count": null,
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"metadata": {},
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"outputs": [],
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"source": [
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"# Load the tallies from the statepoint into each MGXS object\n",
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},
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{
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"cell_type": "code",
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"execution_count": 18,
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"metadata": {
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"collapsed": false
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},
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"outputs": [
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{
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"name": "stdout",
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"output_type": "stream",
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"text": [
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"Multi-Group XS\n",
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"\tReaction Type =\ttotal\n",
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"\tDomain Type =\tcell\n",
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"\tDomain ID =\t1\n",
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"\tCross Sections [cm^-1]:\n",
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" Group 1 [0.625 - 20000000.0eV]:\t6.81e-01 +/- 2.69e-01%\n",
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" Group 2 [0.0 - 0.625 eV]:\t1.40e+00 +/- 5.93e-01%\n",
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"\n",
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"\n",
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"\n"
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]
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}
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],
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"execution_count": null,
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"metadata": {},
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"outputs": [],
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"source": [
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"total.print_xs()"
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]
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},
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{
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"cell_type": "code",
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"execution_count": 19,
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"metadata": {
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"collapsed": false
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},
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"outputs": [
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{
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"data": {
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"text/html": [
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"<div>\n",
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"<table border=\"1\" class=\"dataframe\">\n",
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" <thead>\n",
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" <tr style=\"text-align: right;\">\n",
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" <th></th>\n",
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" <th>cell</th>\n",
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" <th>group in</th>\n",
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" <th>nuclide</th>\n",
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" <th>mean</th>\n",
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" <th>std. dev.</th>\n",
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" </tr>\n",
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" </thead>\n",
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" <tbody>\n",
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" <tr>\n",
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" <th>1</th>\n",
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" <td>1</td>\n",
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" <td>1</td>\n",
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" <td>total</td>\n",
|
||||
" <td>0.667787</td>\n",
|
||||
" <td>0.001802</td>\n",
|
||||
" </tr>\n",
|
||||
" <tr>\n",
|
||||
" <th>0</th>\n",
|
||||
" <td>1</td>\n",
|
||||
" <td>2</td>\n",
|
||||
" <td>total</td>\n",
|
||||
" <td>1.292013</td>\n",
|
||||
" <td>0.007642</td>\n",
|
||||
" </tr>\n",
|
||||
" </tbody>\n",
|
||||
"</table>\n",
|
||||
"</div>"
|
||||
],
|
||||
"text/plain": [
|
||||
" cell group in nuclide mean std. dev.\n",
|
||||
"1 1 1 total 0.667787 0.001802\n",
|
||||
"0 1 2 total 1.292013 0.007642"
|
||||
]
|
||||
},
|
||||
"execution_count": 19,
|
||||
"metadata": {},
|
||||
"output_type": "execute_result"
|
||||
}
|
||||
],
|
||||
"execution_count": null,
|
||||
"metadata": {},
|
||||
"outputs": [],
|
||||
"source": [
|
||||
"df = scattering.get_pandas_dataframe()\n",
|
||||
"df.head(10)"
|
||||
|
|
@ -835,10 +583,8 @@
|
|||
},
|
||||
{
|
||||
"cell_type": "code",
|
||||
"execution_count": 20,
|
||||
"metadata": {
|
||||
"collapsed": false
|
||||
},
|
||||
"execution_count": null,
|
||||
"metadata": {},
|
||||
"outputs": [],
|
||||
"source": [
|
||||
"absorption.export_xs_data(filename='absorption-xs', format='excel')"
|
||||
|
|
@ -853,10 +599,8 @@
|
|||
},
|
||||
{
|
||||
"cell_type": "code",
|
||||
"execution_count": 21,
|
||||
"metadata": {
|
||||
"collapsed": false
|
||||
},
|
||||
"execution_count": null,
|
||||
"metadata": {},
|
||||
"outputs": [],
|
||||
"source": [
|
||||
"total.build_hdf5_store(filename='mgxs', append=True)\n",
|
||||
|
|
@ -880,68 +624,9 @@
|
|||
},
|
||||
{
|
||||
"cell_type": "code",
|
||||
"execution_count": 22,
|
||||
"metadata": {
|
||||
"collapsed": false
|
||||
},
|
||||
"outputs": [
|
||||
{
|
||||
"data": {
|
||||
"text/html": [
|
||||
"<div>\n",
|
||||
"<table border=\"1\" class=\"dataframe\">\n",
|
||||
" <thead>\n",
|
||||
" <tr style=\"text-align: right;\">\n",
|
||||
" <th></th>\n",
|
||||
" <th>cell</th>\n",
|
||||
" <th>energy low [eV]</th>\n",
|
||||
" <th>energy high [eV]</th>\n",
|
||||
" <th>nuclide</th>\n",
|
||||
" <th>score</th>\n",
|
||||
" <th>mean</th>\n",
|
||||
" <th>std. dev.</th>\n",
|
||||
" </tr>\n",
|
||||
" </thead>\n",
|
||||
" <tbody>\n",
|
||||
" <tr>\n",
|
||||
" <th>0</th>\n",
|
||||
" <td>1</td>\n",
|
||||
" <td>0.000</td>\n",
|
||||
" <td>6.250000e-01</td>\n",
|
||||
" <td>total</td>\n",
|
||||
" <td>(((total / flux) - (absorption / flux)) - (sca...</td>\n",
|
||||
" <td>-1.110223e-15</td>\n",
|
||||
" <td>0.011292</td>\n",
|
||||
" </tr>\n",
|
||||
" <tr>\n",
|
||||
" <th>1</th>\n",
|
||||
" <td>1</td>\n",
|
||||
" <td>0.625</td>\n",
|
||||
" <td>2.000000e+07</td>\n",
|
||||
" <td>total</td>\n",
|
||||
" <td>(((total / flux) - (absorption / flux)) - (sca...</td>\n",
|
||||
" <td>1.776357e-15</td>\n",
|
||||
" <td>0.002570</td>\n",
|
||||
" </tr>\n",
|
||||
" </tbody>\n",
|
||||
"</table>\n",
|
||||
"</div>"
|
||||
],
|
||||
"text/plain": [
|
||||
" cell energy low [eV] energy high [eV] nuclide \\\n",
|
||||
"0 1 0.00e+00 6.25e-01 total \n",
|
||||
"1 1 6.25e-01 2.00e+07 total \n",
|
||||
"\n",
|
||||
" score mean std. dev. \n",
|
||||
"0 (((total / flux) - (absorption / flux)) - (sca... -1.11e-15 1.13e-02 \n",
|
||||
"1 (((total / flux) - (absorption / flux)) - (sca... 1.78e-15 2.57e-03 "
|
||||
]
|
||||
},
|
||||
"execution_count": 22,
|
||||
"metadata": {},
|
||||
"output_type": "execute_result"
|
||||
}
|
||||
],
|
||||
"execution_count": null,
|
||||
"metadata": {},
|
||||
"outputs": [],
|
||||
"source": [
|
||||
"# Use tally arithmetic to compute the difference between the total, absorption and scattering\n",
|
||||
"difference = total.xs_tally - absorption.xs_tally - scattering.xs_tally\n",
|
||||
|
|
@ -959,68 +644,9 @@
|
|||
},
|
||||
{
|
||||
"cell_type": "code",
|
||||
"execution_count": 23,
|
||||
"metadata": {
|
||||
"collapsed": false
|
||||
},
|
||||
"outputs": [
|
||||
{
|
||||
"data": {
|
||||
"text/html": [
|
||||
"<div>\n",
|
||||
"<table border=\"1\" class=\"dataframe\">\n",
|
||||
" <thead>\n",
|
||||
" <tr style=\"text-align: right;\">\n",
|
||||
" <th></th>\n",
|
||||
" <th>cell</th>\n",
|
||||
" <th>energy low [eV]</th>\n",
|
||||
" <th>energy high [eV]</th>\n",
|
||||
" <th>nuclide</th>\n",
|
||||
" <th>score</th>\n",
|
||||
" <th>mean</th>\n",
|
||||
" <th>std. dev.</th>\n",
|
||||
" </tr>\n",
|
||||
" </thead>\n",
|
||||
" <tbody>\n",
|
||||
" <tr>\n",
|
||||
" <th>0</th>\n",
|
||||
" <td>1</td>\n",
|
||||
" <td>0.000</td>\n",
|
||||
" <td>6.250000e-01</td>\n",
|
||||
" <td>total</td>\n",
|
||||
" <td>((absorption / flux) / (total / flux))</td>\n",
|
||||
" <td>0.076115</td>\n",
|
||||
" <td>0.000649</td>\n",
|
||||
" </tr>\n",
|
||||
" <tr>\n",
|
||||
" <th>1</th>\n",
|
||||
" <td>1</td>\n",
|
||||
" <td>0.625</td>\n",
|
||||
" <td>2.000000e+07</td>\n",
|
||||
" <td>total</td>\n",
|
||||
" <td>((absorption / flux) / (total / flux))</td>\n",
|
||||
" <td>0.019263</td>\n",
|
||||
" <td>0.000095</td>\n",
|
||||
" </tr>\n",
|
||||
" </tbody>\n",
|
||||
"</table>\n",
|
||||
"</div>"
|
||||
],
|
||||
"text/plain": [
|
||||
" cell energy low [eV] energy high [eV] nuclide \\\n",
|
||||
"0 1 0.00e+00 6.25e-01 total \n",
|
||||
"1 1 6.25e-01 2.00e+07 total \n",
|
||||
"\n",
|
||||
" score mean std. dev. \n",
|
||||
"0 ((absorption / flux) / (total / flux)) 7.61e-02 6.49e-04 \n",
|
||||
"1 ((absorption / flux) / (total / flux)) 1.93e-02 9.46e-05 "
|
||||
]
|
||||
},
|
||||
"execution_count": 23,
|
||||
"metadata": {},
|
||||
"output_type": "execute_result"
|
||||
}
|
||||
],
|
||||
"execution_count": null,
|
||||
"metadata": {},
|
||||
"outputs": [],
|
||||
"source": [
|
||||
"# Use tally arithmetic to compute the absorption-to-total MGXS ratio\n",
|
||||
"absorption_to_total = absorption.xs_tally / total.xs_tally\n",
|
||||
|
|
@ -1031,68 +657,9 @@
|
|||
},
|
||||
{
|
||||
"cell_type": "code",
|
||||
"execution_count": 24,
|
||||
"metadata": {
|
||||
"collapsed": false
|
||||
},
|
||||
"outputs": [
|
||||
{
|
||||
"data": {
|
||||
"text/html": [
|
||||
"<div>\n",
|
||||
"<table border=\"1\" class=\"dataframe\">\n",
|
||||
" <thead>\n",
|
||||
" <tr style=\"text-align: right;\">\n",
|
||||
" <th></th>\n",
|
||||
" <th>cell</th>\n",
|
||||
" <th>energy low [eV]</th>\n",
|
||||
" <th>energy high [eV]</th>\n",
|
||||
" <th>nuclide</th>\n",
|
||||
" <th>score</th>\n",
|
||||
" <th>mean</th>\n",
|
||||
" <th>std. dev.</th>\n",
|
||||
" </tr>\n",
|
||||
" </thead>\n",
|
||||
" <tbody>\n",
|
||||
" <tr>\n",
|
||||
" <th>0</th>\n",
|
||||
" <td>1</td>\n",
|
||||
" <td>0.000</td>\n",
|
||||
" <td>6.250000e-01</td>\n",
|
||||
" <td>total</td>\n",
|
||||
" <td>((scatter / flux) / (total / flux))</td>\n",
|
||||
" <td>0.923885</td>\n",
|
||||
" <td>0.007736</td>\n",
|
||||
" </tr>\n",
|
||||
" <tr>\n",
|
||||
" <th>1</th>\n",
|
||||
" <td>1</td>\n",
|
||||
" <td>0.625</td>\n",
|
||||
" <td>2.000000e+07</td>\n",
|
||||
" <td>total</td>\n",
|
||||
" <td>((scatter / flux) / (total / flux))</td>\n",
|
||||
" <td>0.980737</td>\n",
|
||||
" <td>0.003737</td>\n",
|
||||
" </tr>\n",
|
||||
" </tbody>\n",
|
||||
"</table>\n",
|
||||
"</div>"
|
||||
],
|
||||
"text/plain": [
|
||||
" cell energy low [eV] energy high [eV] nuclide \\\n",
|
||||
"0 1 0.00e+00 6.25e-01 total \n",
|
||||
"1 1 6.25e-01 2.00e+07 total \n",
|
||||
"\n",
|
||||
" score mean std. dev. \n",
|
||||
"0 ((scatter / flux) / (total / flux)) 9.24e-01 7.74e-03 \n",
|
||||
"1 ((scatter / flux) / (total / flux)) 9.81e-01 3.74e-03 "
|
||||
]
|
||||
},
|
||||
"execution_count": 24,
|
||||
"metadata": {},
|
||||
"output_type": "execute_result"
|
||||
}
|
||||
],
|
||||
"execution_count": null,
|
||||
"metadata": {},
|
||||
"outputs": [],
|
||||
"source": [
|
||||
"# Use tally arithmetic to compute the scattering-to-total MGXS ratio\n",
|
||||
"scattering_to_total = scattering.xs_tally / total.xs_tally\n",
|
||||
|
|
@ -1110,68 +677,9 @@
|
|||
},
|
||||
{
|
||||
"cell_type": "code",
|
||||
"execution_count": 25,
|
||||
"metadata": {
|
||||
"collapsed": false
|
||||
},
|
||||
"outputs": [
|
||||
{
|
||||
"data": {
|
||||
"text/html": [
|
||||
"<div>\n",
|
||||
"<table border=\"1\" class=\"dataframe\">\n",
|
||||
" <thead>\n",
|
||||
" <tr style=\"text-align: right;\">\n",
|
||||
" <th></th>\n",
|
||||
" <th>cell</th>\n",
|
||||
" <th>energy low [eV]</th>\n",
|
||||
" <th>energy high [eV]</th>\n",
|
||||
" <th>nuclide</th>\n",
|
||||
" <th>score</th>\n",
|
||||
" <th>mean</th>\n",
|
||||
" <th>std. dev.</th>\n",
|
||||
" </tr>\n",
|
||||
" </thead>\n",
|
||||
" <tbody>\n",
|
||||
" <tr>\n",
|
||||
" <th>0</th>\n",
|
||||
" <td>1</td>\n",
|
||||
" <td>0.000</td>\n",
|
||||
" <td>6.250000e-01</td>\n",
|
||||
" <td>total</td>\n",
|
||||
" <td>(((absorption / flux) / (total / flux)) + ((sc...</td>\n",
|
||||
" <td>1.0</td>\n",
|
||||
" <td>0.007763</td>\n",
|
||||
" </tr>\n",
|
||||
" <tr>\n",
|
||||
" <th>1</th>\n",
|
||||
" <td>1</td>\n",
|
||||
" <td>0.625</td>\n",
|
||||
" <td>2.000000e+07</td>\n",
|
||||
" <td>total</td>\n",
|
||||
" <td>(((absorption / flux) / (total / flux)) + ((sc...</td>\n",
|
||||
" <td>1.0</td>\n",
|
||||
" <td>0.003739</td>\n",
|
||||
" </tr>\n",
|
||||
" </tbody>\n",
|
||||
"</table>\n",
|
||||
"</div>"
|
||||
],
|
||||
"text/plain": [
|
||||
" cell energy low [eV] energy high [eV] nuclide \\\n",
|
||||
"0 1 0.00e+00 6.25e-01 total \n",
|
||||
"1 1 6.25e-01 2.00e+07 total \n",
|
||||
"\n",
|
||||
" score mean std. dev. \n",
|
||||
"0 (((absorption / flux) / (total / flux)) + ((sc... 1.00e+00 7.76e-03 \n",
|
||||
"1 (((absorption / flux) / (total / flux)) + ((sc... 1.00e+00 3.74e-03 "
|
||||
]
|
||||
},
|
||||
"execution_count": 25,
|
||||
"metadata": {},
|
||||
"output_type": "execute_result"
|
||||
}
|
||||
],
|
||||
"execution_count": null,
|
||||
"metadata": {},
|
||||
"outputs": [],
|
||||
"source": [
|
||||
"# Use tally arithmetic to ensure that the absorption- and scattering-to-total MGXS ratios sum to unity\n",
|
||||
"sum_ratio = absorption_to_total + scattering_to_total\n",
|
||||
|
|
@ -1197,9 +705,9 @@
|
|||
"name": "python",
|
||||
"nbconvert_exporter": "python",
|
||||
"pygments_lexer": "ipython3",
|
||||
"version": "3.5.2"
|
||||
"version": "3.6.3"
|
||||
}
|
||||
},
|
||||
"nbformat": 4,
|
||||
"nbformat_minor": 0
|
||||
"nbformat_minor": 1
|
||||
}
|
||||
|
|
|
|||
|
|
@ -288,7 +288,7 @@ class Evaluation(object):
|
|||
Attributes
|
||||
----------
|
||||
info : dict
|
||||
Miscallaneous information about the evaluation.
|
||||
Miscellaneous information about the evaluation.
|
||||
target : dict
|
||||
Information about the target material, such as its mass, isomeric state,
|
||||
whether it's stable, and whether it's fissionable.
|
||||
|
|
|
|||
|
|
@ -25,6 +25,7 @@ from .njoy import make_ace
|
|||
from .product import Product
|
||||
from .reaction import Reaction, _get_photon_products_ace
|
||||
from . import resonance as res
|
||||
from . import resonance_covariance as res_cov
|
||||
from .urr import ProbabilityTables
|
||||
import openmc.checkvalue as cv
|
||||
from openmc.mixin import EqualityMixin
|
||||
|
|
@ -151,6 +152,8 @@ class IncidentNeutron(EqualityMixin):
|
|||
and the values are Reaction objects.
|
||||
resonances : openmc.data.Resonances or None
|
||||
Resonance parameters
|
||||
resonance_covariance : openmc.data.ResonanceCovariance or None
|
||||
Covariance for resonance parameters
|
||||
summed_reactions : collections.OrderedDict
|
||||
Contains summed cross sections, e.g., the total cross section. The keys
|
||||
are the MT values and the values are Reaction objects.
|
||||
|
|
@ -231,6 +234,10 @@ class IncidentNeutron(EqualityMixin):
|
|||
def resonances(self):
|
||||
return self._resonances
|
||||
|
||||
@property
|
||||
def resonance_covariance(self):
|
||||
return self._resoncance_covariance
|
||||
|
||||
@property
|
||||
def summed_reactions(self):
|
||||
return self._summed_reactions
|
||||
|
|
@ -292,6 +299,11 @@ class IncidentNeutron(EqualityMixin):
|
|||
cv.check_type('resonances', resonances, res.Resonances)
|
||||
self._resonances = resonances
|
||||
|
||||
@resonance_covariance.setter
|
||||
def resonance_covariance(self, resonance_covariance):
|
||||
cv.check_type('resonances', resonances, res.ResonanceCovariance)
|
||||
self._resonacne_covariance = resonance_covariance
|
||||
|
||||
@summed_reactions.setter
|
||||
def summed_reactions(self, summed_reactions):
|
||||
cv.check_type('summed reactions', summed_reactions, Mapping)
|
||||
|
|
@ -748,7 +760,7 @@ class IncidentNeutron(EqualityMixin):
|
|||
return data
|
||||
|
||||
@classmethod
|
||||
def from_endf(cls, ev_or_filename):
|
||||
def from_endf(cls, ev_or_filename, get_covariance=False):
|
||||
"""Generate incident neutron continuous-energy data from an ENDF evaluation
|
||||
|
||||
Parameters
|
||||
|
|
@ -757,6 +769,10 @@ class IncidentNeutron(EqualityMixin):
|
|||
ENDF evaluation to read from. If given as a string, it is assumed to
|
||||
be the filename for the ENDF file.
|
||||
|
||||
get_covariance : bool
|
||||
Flag to indicate whether or not covariance data from File 32 should be
|
||||
retrieved
|
||||
|
||||
Returns
|
||||
-------
|
||||
openmc.data.IncidentNeutron
|
||||
|
|
@ -788,6 +804,9 @@ class IncidentNeutron(EqualityMixin):
|
|||
if (2, 151) in ev.section:
|
||||
data.resonances = res.Resonances.from_endf(ev)
|
||||
|
||||
if (32, 151) in ev.section and get_covariance:
|
||||
data.res_covariance = res_cov.ResonanceCovariance.from_endf(ev)
|
||||
|
||||
# Read each reaction
|
||||
for mf, mt, nc, mod in ev.reaction_list:
|
||||
if mf == 3:
|
||||
|
|
|
|||
232
openmc/data/resonance_covariance.py
Normal file
232
openmc/data/resonance_covariance.py
Normal file
|
|
@ -0,0 +1,232 @@
|
|||
from collections import defaultdict, MutableSequence, Iterable
|
||||
import io
|
||||
|
||||
import numpy as np
|
||||
from numpy.polynomial import Polynomial
|
||||
import pandas as pd
|
||||
|
||||
from .data import NEUTRON_MASS
|
||||
from .endf import get_head_record, get_cont_record, get_tab1_record, get_list_record
|
||||
import openmc.checkvalue as cv
|
||||
from .resonance import ResonanceRange
|
||||
|
||||
class ResonanceCovariance(object):
|
||||
"""Resolved resonance covariance data
|
||||
|
||||
Parameters
|
||||
----------
|
||||
ranges : list of openmc.data.ResonanceRange
|
||||
Distinct energy ranges for resonance data
|
||||
|
||||
Attributes
|
||||
----------
|
||||
ranges : list of openmc.data.ResonanceRange
|
||||
Distinct energy ranges for resonance data
|
||||
resolved : openmc.data.ResonanceRange or None
|
||||
Resolved resonance range
|
||||
unresolved : openmc.data.Unresolved or None
|
||||
Unresolved resonance range
|
||||
|
||||
"""
|
||||
|
||||
def __init__(self, ranges):
|
||||
self.ranges = ranges
|
||||
|
||||
def __iter__(self):
|
||||
for r in self.ranges:
|
||||
yield r
|
||||
|
||||
@property
|
||||
def ranges(self):
|
||||
return self._ranges
|
||||
|
||||
@ranges.setter
|
||||
def ranges(self, ranges):
|
||||
cv.check_type('resonance ranges', ranges, MutableSequence)
|
||||
self._ranges = cv.CheckedList(ResonanceRange, 'resonance ranges',
|
||||
ranges)
|
||||
|
||||
@classmethod
|
||||
def from_endf(cls, ev):
|
||||
"""Generate resonance covariance data from an ENDF evaluation.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
ev : openmc.data.endf.Evaluation
|
||||
ENDF evaluation
|
||||
|
||||
Returns
|
||||
-------
|
||||
openmc.data.ResonanceCovariance
|
||||
Resonance covariance data
|
||||
|
||||
"""
|
||||
file_obj = io.StringIO(ev.section[32, 151])
|
||||
|
||||
# Determine whether discrete or continuous representation
|
||||
items = get_head_record(file_obj)
|
||||
n_isotope = items[4] # Number of isotopes
|
||||
|
||||
ranges = []
|
||||
for iso in range(n_isotope):
|
||||
items = get_cont_record(file_obj)
|
||||
abundance = items[1]
|
||||
fission_widths = (items[3] == 1) # fission widths are given?
|
||||
n_ranges = items[4] # number of resonance energy ranges
|
||||
|
||||
for j in range(n_ranges):
|
||||
items = get_cont_record(file_obj)
|
||||
resonance_flag = items[2] # flag for resolved (1)/unresolved (2)
|
||||
formalism = items[3] # resonance formalism
|
||||
|
||||
# Throw error for unsupported formalisms
|
||||
if formalism in [0,1,2,7]:
|
||||
raise TypeError('LRF= ', formalism,
|
||||
' covariance not supported for this formalism')
|
||||
|
||||
if resonance_flag in (0, 1):
|
||||
# resolved resonance region
|
||||
erange = _FORMALISMS[formalism].from_endf(ev, file_obj, items)
|
||||
|
||||
elif resonance_flag == 2:
|
||||
raise TypeError('Unresolved resonance not supported')
|
||||
|
||||
#erange.material = self
|
||||
ranges.append(erange)
|
||||
|
||||
return cls(ranges)
|
||||
|
||||
|
||||
class ReichMooreCovariance(ResonanceRange):
|
||||
"""Reich-Moore resolved resonance formalism covariance data.
|
||||
|
||||
Reich-Moore resolved resonance data is identified by LRF=3 in the ENDF-6
|
||||
format.
|
||||
|
||||
|
||||
Parameters
|
||||
----------
|
||||
target_spin : float
|
||||
Intrinsic spin, :math:`I`, of the target nuclide
|
||||
energy_min : float
|
||||
Minimum energy of the resolved resonance range in eV
|
||||
energy_max : float
|
||||
Maximum energy of the resolved resonance range in eV
|
||||
channel : dict
|
||||
Dictionary whose keys are l-values and values are channel radii as a
|
||||
function of energy
|
||||
scattering : dict
|
||||
Dictionary whose keys are l-values and values are scattering radii as a
|
||||
function of energy
|
||||
|
||||
Attributes
|
||||
----------
|
||||
cov_paramaters: list
|
||||
The parameters that are included in the covariance matrix
|
||||
covariance_matrix : array
|
||||
The covariance matrix contained within the ENDF evaluation
|
||||
|
||||
|
||||
"""
|
||||
|
||||
def __init__(self, energy_min, energy_max):
|
||||
self.parameters = None
|
||||
self.covariance = None
|
||||
|
||||
@classmethod
|
||||
def from_endf(cls, ev, file_obj, items):
|
||||
"""Create Reich-Moore resonance covariance data from an ENDF evaluation.
|
||||
Includes the resonance parameters contained separately in File 32.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
ev : openmc.data.endf.Evaluation
|
||||
ENDF evaluation
|
||||
file_obj : file-like object
|
||||
ENDF file positioned at the second record of a resonance range
|
||||
subsection in MF=2, MT=151
|
||||
items : list
|
||||
Items from the CONT record at the start of the resonance range
|
||||
subsection
|
||||
|
||||
Returns
|
||||
-------
|
||||
openmc.data.ReichMooreCovariance
|
||||
Reich-Moore resonance covariance parameters
|
||||
|
||||
"""
|
||||
# Read energy-dependent scattering radius if present
|
||||
energy_min, energy_max = items[0:2]
|
||||
nro, naps = items[4:6]
|
||||
if nro != 0:
|
||||
params, ape = get_tab1_record(file_obj)
|
||||
|
||||
# Other scatter radius parameters
|
||||
items = get_cont_record(file_obj)
|
||||
target_spin = items[0]
|
||||
ap = Polynomial((items[1],))
|
||||
LCOMP = items[3] # Flag for compatibility 0,1,2 - 2 is compact form
|
||||
NLS = items[4] # Number of l-values
|
||||
|
||||
|
||||
# Build covariance matrix for General Resolved Resonance Formats
|
||||
if LCOMP == 1:
|
||||
items = get_cont_record(file_obj)
|
||||
awri = items[0]
|
||||
num_short_range = items[4] #Number of short range type resonance
|
||||
#covariances
|
||||
num_long_range = items[5] #Number of long range type resonance
|
||||
#covariances
|
||||
# Read resonance widths, J values, etc
|
||||
channel_radius = {}
|
||||
scattering_radius = {}
|
||||
records = []
|
||||
for i in range(num_short_range):
|
||||
items, values = get_list_record(file_obj)
|
||||
num_parameters = items[2]
|
||||
num_res = items[5]
|
||||
num_par_vals = num_res*6
|
||||
res_values = values[:num_par_vals]
|
||||
cov_values = values[num_par_vals:]
|
||||
|
||||
energy = res_values[0::6]
|
||||
spin = res_values[1::6]
|
||||
gn = res_values[2::6]
|
||||
gg = res_values[3::6]
|
||||
gfa = res_values[4::6]
|
||||
gfb = res_values[5::6]
|
||||
|
||||
for i, E in enumerate(energy):
|
||||
records.append([energy[i], spin[i], gn[i], gg[i],
|
||||
gfa[i], gfb[i]])
|
||||
|
||||
#Build the upper-triangular covariance matrix
|
||||
cov_dim = num_parameters*num_res
|
||||
cov = np.zeros([cov_dim,cov_dim])
|
||||
indices = np.triu_indices(cov_dim)
|
||||
cov[indices] = cov_values
|
||||
|
||||
# Create pandas DataFrame with resonance data
|
||||
columns = ['energy', 'J', 'neutronWidth', 'captureWidth',
|
||||
'fissionWidthA', 'fissionWidthB']
|
||||
parameters = pd.DataFrame.from_records(records, columns=columns)
|
||||
|
||||
# Create instance of ReichMooreCovariance
|
||||
rmc = cls(energy_min, energy_max)
|
||||
rmc.parameters = parameters
|
||||
rmc.covariance = cov
|
||||
|
||||
return rmc
|
||||
|
||||
elif LCOMP in [0,2]:
|
||||
TypeError('LCOMP = ',LCOMP,' not supported')
|
||||
|
||||
|
||||
# _FORMALISMS = {0: ResonanceRange,
|
||||
# 1: SingleLevelBreitWigner,
|
||||
# 2: MultiLevelBreitWigner,
|
||||
# 3: ReichMoore,
|
||||
# 7: RMatrixLimited}
|
||||
_FORMALISMS = {3: ReichMooreCovariance}
|
||||
|
||||
|
||||
Loading…
Add table
Add a link
Reference in a new issue