update script
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msre_NEW.py
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318
msre_NEW.py
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import os
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import openmc
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import openmc.deplete
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import openmc.lib
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import numpy as np
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from math import log10, sqrt
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from collections import OrderedDict
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import matplotlib.pyplot as plt
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import pandas as pd
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import math
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import numpy as np
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import re
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from pathlib import Path
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import h5py
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salt_temp = 648.9
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salt = openmc.Material(name="salt", temperature = salt_temp + 273.15)
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salt.add_nuclide('Li6',1.31480070E-05)
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salt.add_nuclide('Li7', 0.262960140146177)
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salt.add_nuclide('Be9',1.1863E-01)
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salt.add_nuclide('Zr90',1.0543E-02)
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salt.add_nuclide('Zr91',2.2991E-03)
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salt.add_nuclide('Zr92',3.5142E-03)
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salt.add_nuclide('Zr94',3.5613E-03)
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salt.add_nuclide('Zr96',5.7375E-04)
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salt.add_nuclide('Hf174',8.3786E-10)
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salt.add_nuclide('Hf176',2.7545E-08)
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salt.add_nuclide('Hf177',9.7401E-08)
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salt.add_nuclide('Hf178',1.4285E-07)
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salt.add_nuclide('Hf179',7.1323E-08)
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salt.add_nuclide('Hf180',1.8370E-07)
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salt.add_nuclide('U234',1.034276246E-05)
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salt.add_nuclide('U235',1.009695816E-03)
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salt.add_nuclide('U236',4.227809892E-06)
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salt.add_nuclide('U238',2.168267822E-03)
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salt.add_nuclide('Fe54',2.8551E-06)
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salt.add_nuclide('Fe56',4.4818E-05)
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salt.add_nuclide('Fe57',1.0350E-06)
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salt.add_nuclide('Fe58',1.3775E-07)
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salt.add_nuclide('Cr50',2.1224E-06)
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salt.add_nuclide('Cr52',4.0928E-05)
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salt.add_nuclide('Cr53',4.6409E-06)
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salt.add_nuclide('Cr54',1.1552E-06)
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salt.add_nuclide('Ni58',5.8597E-06)
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salt.add_nuclide('Ni60',2.2571E-06)
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salt.add_nuclide('Ni61',9.8117E-08)
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salt.add_nuclide('Ni62',3.1284E-07)
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salt.add_nuclide('Ni64',7.9671E-08)
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salt.add_nuclide('O16',5.1437E-04)
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salt.add_nuclide('O17',1.8927E-07)
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salt.add_nuclide('O18',9.6440E-07)
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salt.add_nuclide('F19',5.9409E-01)
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salt.set_density('g/cm3', 2.32151)
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#salt.volume = 4560/2.32151*1000
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#salt.volume = 70 * 0.0283168 *1e6 #Circulating primary salt: 70 ft3 (ORNL-4658)
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salt.volume = 1.996 * 1e6 # https://info.ornl.gov/sites/publications/Files/Pub173113.pdf
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#moderator blocks170
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graphite = openmc.Material(name='graphite',temperature= salt_temp + 273.15)
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graphite.set_density('g/cm3',1.86)
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graphite.add_nuclide('C12',1)
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graphite.add_s_alpha_beta('c_Graphite')
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#inor-8
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inor = openmc.Material(name='inor-8',temperature= salt_temp + 273.15)
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inor.set_density('g/cm3',8.7745)
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inor.add_element('Ni',(66+71)/2,'wo')
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inor.add_element('Mo',(15+18)/2,'wo')
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inor.add_element('Cr',(6+8)/2,'wo')
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inor.add_element('Fe',5,'wo')
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inor.add_element('C',(0.04+0.08)/2,'wo')
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inor.add_element('Al',0.25,'wo')
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inor.add_element('Ti',0.25,'wo')
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inor.add_element('S',0.02,'wo')
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inor.add_element('Mn',1.0,'wo')
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inor.add_element('Si',1.0,'wo')
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inor.add_element('Cu',0.35,'wo')
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inor.add_element('B',0.010,'wo')
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inor.add_element('W',0.5,'wo')
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inor.add_element('P',0.015,'wo')
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inor.add_element('Co',0.2,'wo')
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#helium
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helium = openmc.Material(name='helium')
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helium.add_element('He',1.0)
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helium.set_density('g/cm3',1.03*(10**-4))
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#Control rods inconel clad
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trace = 0.01
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inconel = openmc.Material(name='inconel', temperature = 65.6 + 273.15)
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inconel.add_element('Ni',78.5,percent_type='wo')
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inconel.add_element('Cr',14.0,percent_type='wo')
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inconel.add_element('Fe',6.5,percent_type='wo')
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inconel.add_element('Mn',0.25,percent_type='wo')
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inconel.add_element('Si',0.25,percent_type='wo')
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inconel.add_element('Cu',0.2,percent_type='wo')
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inconel.add_element('Co',0.2,percent_type='wo')
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inconel.add_element('Al',0.2,percent_type='wo')
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inconel.add_element('Ti',0.2,percent_type='wo')
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inconel.add_element('Ta',0.5,percent_type='wo')
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inconel.add_element('W',0.5,percent_type='wo')
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inconel.add_element('Zn',0.2,percent_type='wo')
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inconel.add_element('Zr',0.1,percent_type='wo')
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inconel.add_element('C',trace,percent_type='wo')
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inconel.add_element('Mo',trace,percent_type='wo')
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inconel.add_element('Ag',trace,percent_type='wo')
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inconel.add_element('B',trace,percent_type='wo')
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inconel.add_element('Ba',trace,percent_type='wo')
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inconel.add_element('Be',trace,percent_type='wo')
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inconel.add_element('Ca',trace,percent_type='wo')
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inconel.add_element('Cd',trace,percent_type='wo')
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inconel.add_element('V',trace,percent_type='wo')
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inconel.add_element('Sn',trace,percent_type='wo')
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inconel.add_element('Mg',trace,percent_type='wo')
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inconel.set_density('g/cm3',8.5)
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# SS 316 control rod flexible hose
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ss316 = openmc.Material(name='ss316', temperature = 65.6 + 273.15)
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ss316.add_element('C',0.026,'wo')
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ss316.add_element('Si',0.37,'wo')
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ss316.add_element('Mn',0.16,'wo')
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ss316.add_element('Cr',16.55,'wo')
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ss316.add_element('Cu',0.16,'wo')
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ss316.add_element('Ni',10,'wo')
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ss316.add_element('P',0.029,'wo')
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ss316.add_element('S',0.027,'wo')
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ss316.add_element('Mo',2.02,'wo')
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ss316.add_element('N',0.036,'wo')
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ss316.add_element('Fe',70.622,'wo')
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ss316.set_density('g/cm3',7.99)
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#Control rods bushing posion material
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Gd2O3 = openmc.Material()
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Gd2O3.add_element('Gd',2)
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Gd2O3.add_element('O',3)
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Gd2O3.set_density('g/cm3',7.41)
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Al2O3 = openmc.Material()
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Al2O3.add_element('Al',2)
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Al2O3.add_element('O',3)
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Al2O3.set_density('g/cm3',3.95)
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bush = openmc.Material.mix_materials([Gd2O3,Al2O3],[0.7,0.3],'wo')
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bush.name='bush'
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bush.temperature = 65.6 +273.15
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#Concrete block
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concrete = openmc.Material(name='concrete')
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concrete.add_element('H',0.005,'wo')
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concrete.add_element('O',0.496,'wo')
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concrete.add_element('Si',0.314,'wo')
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concrete.add_element('Ca',0.083,'wo')
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concrete.add_element('Na',0.017,'wo')
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concrete.add_element('Mn',0.002,'wo')
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concrete.add_element('Al',0.046,'wo')
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concrete.add_element('S',0.001,'wo')
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concrete.add_element('K',0.019,'wo')
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concrete.add_element('Fe',0.012,'wo')
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concrete.set_density('g/cm3',2.35)
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#Thermal shielding as water and SS305 (50-50)
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water = openmc.Material()
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water.add_element('H',2)
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water.add_element('O',1)
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water.set_density('g/cm3',0.997)
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#stainless steel 304
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ss304 = openmc.Material()
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ss304.add_element('C',0.08,'wo')
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ss304.add_element('Mn',2,'wo')
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ss304.add_element('P',0.045,'wo')
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ss304.add_element('S',0.03,'wo')
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ss304.add_element('Si',0.75,'wo')
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ss304.add_element('Cr',19,'wo')
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ss304.add_element('Ni',10,'wo')
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ss304.add_element('N',0.1,'wo')
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ss304.add_element('Fe',67.995, 'wo')
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ss304.set_density('g/cm3',7.93)
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shield = openmc.Material.mix_materials([water,ss304],[0.5,0.5],'vo')
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shield.temperature = 32.2 + 273.15
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shield.name='steelwater'
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# "Careytemp 1600" by Philip Carey Manufacturing Compamy (Cincinnati)
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# http://moltensalt.org/references/static/downloads/pdf/ORNL-TM-0728.pdf
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insulation=openmc.Material(name='insulation')
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insulation.add_element('Si',1)
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insulation.add_element('O',2)
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insulation.set_density('g/cm3',0.16) #https://www.osti.gov/servlets/purl/1411211
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# sand water, not sure about this material
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sandwater=openmc.Material(name='sandwater')
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sandwater.add_element('Fe',3)
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sandwater.add_element('O',4)
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sandwater.set_density('g/cm3',6)
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#Vessel anular steel
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steel = openmc.Material(name='steel')
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steel.add_element('Fe',1)
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steel.set_density('g/cm3',7.85)
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mats = openmc.Materials([salt, graphite, inor, helium, inconel, shield, concrete,
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steel, ss316, sandwater, insulation, bush])
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# CAD h5m files
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core_h5m = 'h5m/msre_reactor_1e-2.h5m'
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control_rod1_h5m = 'h5m/msre_control_rod_1e-2.h5m'
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#Geometry
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core = openmc.DAGMCUniverse(filename = core_h5m, auto_geom_ids = True,
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universe_id = 1)
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control_rod1 = openmc.DAGMCUniverse(filename = control_rod1_h5m,
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auto_geom_ids = True, universe_id=2)
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core_region = core.bounding_region()
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cr1_region = control_rod1.bounding_region(boundary_type = 'transmission',
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starting_id=20000)
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# Extend control rod region1 to include upwards translations
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cr1_region = cr1_region | cr1_region.translate([0, 0, 150])
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# Shift control rods 1 by offset to defined control rod 2 and 3 regions
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offset = 10.163255 #cm, offset between cr1, cr2 and cr3
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cr2_region = cr1_region.translate([-offset, 0, 0])
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cr3_region = cr1_region.translate([-offset, offset, 0])
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#Define cells
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core_cell = openmc.Cell(region=~(cr1_region | cr2_region | cr3_region) & core_region ,
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fill=core)
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cr1_cell = openmc.Cell(name='CR1', region=cr1_region, fill=control_rod1)
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cr2_cell = openmc.Cell(name='CR2', region=cr2_region, fill=control_rod1)
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cr3_cell = openmc.Cell(name='CR3', region=cr3_region, fill=control_rod1)
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#Fix control rods initial positions
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start_pos = 19.2 #cm, geometrical distance between lower bottom and starting point
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top_pos = 51 * 2.54 # cm, initial position of control rod1 with respect to start post
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init_pos = 40 * 2.54
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setattr(cr1_cell, 'translation', [0, 0, start_pos + init_pos])
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setattr(cr2_cell, 'translation', [-offset, 0, start_pos + top_pos])
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setattr(cr3_cell, 'translation', [-offset, offset, start_pos + top_pos])
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geometry = openmc.Geometry([core_cell,cr1_cell,cr2_cell,cr3_cell])
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# Settings
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settings = openmc.Settings()
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settings.temperature = {'method':'interpolation','range':(293.15,923.15)}
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settings.batches = 80
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settings.inactive = 20
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settings.particles = 100000
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settings.photon_transport = False
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source_area = openmc.stats.Box([-100., -100., 0.],[ 100., 100., 200.],
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only_fissionable = True)
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settings.source = openmc.Source(space = source_area)
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#Tallies
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tally = openmc.Tally(name="heating")
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if settings.photon_transport:
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heating_score = 'heating'
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else:
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heating_score = 'heating-local'
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tally.scores.append(heating_score)
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tallies = openmc.Tallies([tally])
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# Depletion settings
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model = openmc.model.Model(geometry,mats,settings,tallies)
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#Plots
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colors = {salt:'yellow', graphite:'black', inor: 'grey', helium: 'cyan', inconel: 'grey',
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bush: 'blue', ss316: 'grey', concrete: 'brown', shield: 'red', insulation: 'green',
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sandwater: 'lightgreen', steel: 'grey'}
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plots = openmc.Plots()
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plot = openmc.Plot()
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plot.basis = 'xy'
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plot.width = (150,150)
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plot.pixels = (1500,1500)
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plot.origin = (0,0,160)
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plot.color_by = 'material'
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plot.colors = colors
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model.plots.append(plot)
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plot = openmc.Plot()
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plot.basis = 'xz'
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plot.width = (150,300)
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plot.pixels = (750,1500)
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plot.origin = (0,-5,150)
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plot.color_by = 'material'
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plot.colors = colors
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model.plots.append(plot)
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plot = openmc.Plot()
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plot.basis = 'yz'
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plot.width = (150,300)
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plot.pixels = (500,1000)
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plot.origin = (5,0,150)
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plot.color_by = 'material'
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plot.colors = colors
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model.plots.append(plot)
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op = openmc.deplete.CoupledOperator(model,
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normalization_mode = "energy-deposition")
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timesteps = [5,5,30,30,30,180,95]
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power = 8 #7.34
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integrator = openmc.deplete.CECMIntegrator(op, timesteps=timesteps,
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timestep_units='d', power=power)
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integrator.add_transfer_rate('salt', ['Xe','Kr'], 4.067e-5)
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integrator.add_transfer_rate('salt', ['Se','Nb','Mo','Tc','Ru','Rh','Pd','Ag','Sb','Te'], 8.777e-3)
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integrator.add_redox('salt', {'Be9':1})
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# integrator.add_batchwise( 'CR1', 'translation', axis = 2,
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# bracket = [-2, 5], #cm
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# bracket_limit = [0, top_pos+start_pos],
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# #atom_density_limit = 1e-14, #atoms/b-cm
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# tol = 0.1)
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# integrator.add_batchwise('refuel', mats_id_or_name = ['salt'],
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# mat_vector = {'U235': 1},
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# bracket = [1e2,1e3], #grams
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# bracket_limit = [0,1e5], #grams
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# tol = 0.01,
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# restart_level = start_pos + init_pos)
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#integrator.add_batchwise_wrap('1', interrupt=True)
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integrator.integrate()
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