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R2S Config/Step1 #25

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Sep 18, 2024
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Binary file added DAGMC_Geometry.h5m
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37 changes: 37 additions & 0 deletions WC_Layers/Conversion_h5m.py
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import openmc
import numpy as np
import pymoab
from pymoab import core, types, rng
import matplotlib.pyplot as plt

# Load the statepoint file
sp = openmc.StatePoint("statepoint.10.h5")

mb = core.Core()
mb.load_file('OpenMC_Mesh.h5m')

# Retrieve the tally
tally = sp.get_tally(id=2)

# Load the mesh
meshes = sp.meshes
mesh = meshes[1]
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tally_data = tally.get_reshaped_data(value='mean')

#Summing over cell filter:
flux_sum_en = tally_data.sum(axis=0)
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ebounds = tally.find_filter(openmc.EnergyFilter).bins

plt.xlabel('Energy [eV]')
plt.ylabel('Flux [n/cm^2-s]')
plt.loglog(ebounds[:,0],flux_sum_en[0,:,0,0])
plt.savefig("Flux_Graph.png")

# get all tets from the MOAB mesh
all_tets = mb.get_entities_by_type(0, types.MBTET)
n_flux_tag = mb.tag_get_handle('FLUX_MESH', 175, types.MB_TYPE_DOUBLE, types.MB_TAG_DENSE, create_if_missing=True)
mb.tag_set_data(n_flux_tag, all_tets, flux_sum_en[:,:,0,0]) # the shape of the data will need to be checked here
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mb.write_file('Mesh_with_Tally.h5m')
19 changes: 19 additions & 0 deletions WC_Layers/PyNE_Lib.py
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# -*- coding: utf-8 -*-
"""
Created on Mon Sep 2 01:08:06 2024

@author: Anupama Rajendra
"""

from pyne.material import Material
from pyne.material_library import MaterialLibrary

W=Material({"W":1})
W.density=19.3
Graphite=Material({"C":1})
Graphite.density=2.62

MatLib = MaterialLibrary()
MatLib["W"]=W
MatLib["Graphite"]=Graphite
MatLib.write_hdf5("PyNE_Lib_WC.h5", h5_overwrite=True)
43 changes: 43 additions & 0 deletions WC_Layers/config.ini
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[general]
# Specify whether this problem uses structured or unstructured mesh
structured: False
# Specify whether this problem uses sub-voxel r2s
sub_voxel: False

[step1]
# Path to MCNP MESHTAL file containing neutron fluxes or a DAG-MCNP5
# unstructured mesh tally .h5m file.
meshtal: Mesh_with_Tally.h5m
# Tally number within the meshtal file containing the fluxes for activation.
tally_num: 2
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Is this relevant for an unstructured mesh? It doesn't seem like your script to convert from OpenMC to H5M preserves any tally number (which is fine if we don't actually need it).

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No, it's not relevant here--only data from one tally is written to h5m, so the same ALARA input file is printed regardless of which number is chosen here

# The name of the tag used to store flux data on the mesh. For unstructured
# mesh this tag must already exist within the file specified in <meshtal>.
flux_tag: FLUX_MESH
# Path to the DAGMC material-laden geometry file (.h5m).
geom: DAGMC_Geometry.h5m
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Does this geometry have materials in it? Where is the script that does that?

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Yes, this is material laden. PyNE_Lib.py creates a PyNE material library which is then assigned to the DAG-MC geometry using the uwuw_preproc tool (done inside a terminal).

# If True the fluxes in the fluxin file will be printed in the reverse
# order of how they appear within the flux vector tag. Since MCNP and
# the Meshtal class order fluxes from low energy to high energy, this
# option should be true if the transmutation data being used is
# ordered from high-energy to low-energy.
reverse: True
# Number of rays to fire down each mesh row in each direction to calculate
# cell volume fractions.
num_rays: 100
# If true, rays will be fired down mesh rows in evenly spaced intervals.
# In this case <num_rays> must be a perfect square. If false, rays are fired
# down mesh rows in random intervals.
grid: False

[step2]
# List of decays times, seperated by commas. These strings much match exactly
# with their counterparts in the phtn_src file produced in step1. No spaces
# should appear in this line except the space between the time and the time unit
# for each entry.
decay_times:24 h,2.6864e+6 s
# The prefix of the .h5m files containing the source density distributations for
# each decay time.
output: source
# The name of the output files containing the total photon source intensities for
# each decay time
tot_phtn_src_intensities : total_photon_source_intensities.txt