def generate_material_trace(mat, Endf_MT_number):
if type(Endf_MT_number) == int:
Endf_MT_number = [Endf_MT_number]
Energy, data = openmc.calculate_cexs(mat, 'material', Endf_MT_number)
cross_section = data[0]
trace1 = Scatter(x=Energy,
y=cross_section,
mode='lines',
name=mat.name + ' MT ' + str(Endf_MT_number[0]))
return trace1
carbon_reactor_grade = openmc.Material()
carbon_reactor_grade.add_element('B', 0.000001, percent_type='wo')
carbon_reactor_grade.add_element('C', 0.999999, percent_type='wo')
carbon_reactor_grade.set_density('g/cm3', 1.70)
# Tungsten
tungsten = openmc.Material()
tungsten.set_density('g/cm3', 19.3)
tungsten.add_element('W', 1.0)
Endf_MT16_number = [16] # (n,2n)
Endf_MT2_number = [2] # (n, elastic scatter)
Endf_MT18_number = [18] # (n,fission)
Endf_MT102_number = [102] # (n,gamma)
energy_beryllium, data = openmc.calculate_cexs(beryllium, 'material',
Endf_MT16_number)
cross_section_beryllium = data[0]
energy_uranium, data = openmc.calculate_cexs(uranium235, 'material',
Endf_MT18_number)
cross_section_uranium = data[0]
energy_carbon, data = openmc.calculate_cexs(carbon_reactor_grade, 'material',
Endf_MT2_number)
cross_section_carbon = data[0]
energy_tungsten, data = openmc.calculate_cexs(tungsten, 'material',
Endf_MT102_number)
cross_section_tungsten = data[0]
traces = []
) # this material defaults to a density of 1g/cm3
try:
element_object.add_element(element_name, 1.0, percent_type='ao')
except ValueError:
print("The cross section files for the isotopes of ", element_name,
" don't exist")
continue
try:
atomic_weight(element_name)
except ValueError:
print('There are no natural isotopes of ', element_name)
continue
energy, cross_sections = openmc.calculate_cexs(element_object, 'material',
[Endf_MT_number])
cross_section = cross_sections[0]
if cross_section.sum() != 0.0:
fig.add_trace(
go.Scatter(x=energy,
y=cross_section,
mode='lines',
name=element_name + ' MT ' + str(Endf_MT_number)))
else:
print('Element ', element_name,
' has no cross section data for MT number', Endf_MT_number)
fig.update_layout(title='Element cross sections ' + str(Endf_MT_number),
xaxis={
'title': 'Energy (eV)',
'range': (0, 14.1e6)
natural_Li2TiO3 = openmc.Material()
natural_Li2TiO3.add_element('Li', 2.0, percent_type='ao')
natural_Li2TiO3.add_element('Ti', 2.0, percent_type='ao')
natural_Li2TiO3.add_element('O', 3.0, percent_type='ao')
natural_Li2TiO3.set_density(
'g/cm3', 2.899) # this density was found using crystal volumes function
#natural_Li4SiO4 density 1.8770150075137564 g/cm3
#enriched_Li4SiO4 density 1.8441466011318948 g/cm3 #60% Li6
#natural_Li2SiO3 density 2.619497078021483 g/cm3
#natural_Li2ZrO3 density 2.5288596326567134 g/cm3
#natural_Li2TiO3 density 2.8994147653592983 g/cm3
Endf_MT_number = [205] # MT number 205 is (n,t) reaction
Energy_natural_Li4SiO4_MT16, data = openmc.calculate_cexs(
natural_Li4SiO4, 'material', Endf_MT_number)
cross_section_natural_Li4SiO4_MT16 = data[0]
Energy_enriched_Li4SiO4_MT16, data = openmc.calculate_cexs(
enriched_Li4SiO4, 'material', Endf_MT_number)
cross_section_enriched_Li4SiO4_MT16 = data[0]
Energy_natural_Li2SiO3_MT16, data = openmc.calculate_cexs(
natural_Li2SiO3, 'material', Endf_MT_number)
cross_section_natural_Li2SiO3_MT16 = data[0]
Energy_natural_Li2ZrO3_MT16, data = openmc.calculate_cexs(
natural_Li2ZrO3, 'material', Endf_MT_number)
cross_section_natural_Li2ZrO3_MT16 = data[0]
Energy_natural_Li2TiO3_MT16, data = openmc.calculate_cexs(
openmc_material.set_density('g/cm3', density_value)
mt_numbers = []
for entry in reaction_descriptions:
# print(entry)
mt_number = int(entry.split(" ")[1])
if mt_number == 1:
mt_number = 'total'
mt_numbers.append(mt_number)
#mt_numbers.append(entry.split(" ")[-1])
# print(openmc_material)
# print(mt_number)
x_data, y_datas = openmc.calculate_cexs(openmc_material, 'material',
mt_numbers)
for reaction_description, y_data in zip(reaction_descriptions, y_datas):
if not np.any(y_data):
# print('all zero' , reaction_description)
st.write(reaction_description,
' cross section not found in material')
# print(y_data)
else:
fig.add_trace(
go.Scatter(y=y_data,
x=x_data,
name=reaction_description,
mode='lines'))
xaxis_scale = axis_scales.split('-')[0]
def update_output(reaction_names, rows, density_value, fraction_type,
xaxis_scale, yaxis_scale):
if (reaction_names != None) and (rows != None) and (density_value != None):
no_density = html.H4(
'Specify a density in g/cm3',
style={
"text-align": "center",
"color": "red"
},
)
if density_value == None:
return no_density
elif density_value == 0:
return no_density
elif density_value == '':
return no_density
else:
my_mat = Material(name="my_mat")
for entry in rows:
if entry["Elements"][-1].isdigit():
my_mat.add_nuclide(entry["Elements"],
entry["Fractions"],
percent_type=fraction_type)
else:
my_mat.add_element(entry["Elements"],
entry["Fractions"],
percent_type=fraction_type)
my_mat.set_density("g/cm3", density_value)
if len(my_mat.nuclides) == 0:
no_elements = html.H4(
'No elements or isotopes added',
style={
"text-align": "center",
"color": "red"
},
)
return no_elements
else:
energy, xs_data_set = calculate_cexs(my_mat, "material",
reaction_names)
global downloaded_data
downloaded_data = []
for xs_data, reaction_name in zip(xs_data_set, reaction_names):
downloaded_data.append({
"y": xs_data,
"x": energy,
"type": "scatter",
"name": f"MT {reaction_name}"
})
energy_units = "eV"
xs_units = "Macroscopic cross section [1/cm]"
return [
dcc.Graph(
config=dict(showSendToCloud=True),
figure={
"data": downloaded_data,
"layout": {
"height": 800,
# "width":1600,
"margin": {
"l": 3,
"r": 2,
"t": 15,
"b": 60
},
"xaxis": {
"title": {
"text": f"Energy {energy_units}"
},
"type": xaxis_scale,
"tickformat": ".1e",
"tickangle": 45,
},
"yaxis": {
"automargin": True,
"title": {
"text": xs_units
},
"type": yaxis_scale,
"tickformat": ".1e",
},
"showlegend": True,
},
},
)
]
else:
raise dash.exceptions.PreventUpdate
def update_graph_from_mcnp(reaction_names, mcnp_input_text, xaxis_scale,
yaxis_scale, density_value):
"""mcnp_input_text is and mcnp material card like the example below
M24 001001 6.66562840e-01
001002 1.03826667e-04
008016 3.32540200e-01
008017 1.26333333e-04
008018 6.66800000e-04
"""
no_density = html.H4(
'Specify a density in g/cm3',
style={
"text-align": "center",
"color": "red"
},
)
no_mcnp_material_text = html.H4(
'Specify a material card in MCNP format',
style={
"text-align": "center",
"color": "red"
},
)
no_mcnp_reaction = html.H4(
'Select a reaction',
style={
"text-align": "center",
"color": "red"
},
)
if mcnp_input_text == None:
return [], no_mcnp_material_text
elif mcnp_input_text == '':
return [], no_mcnp_material_text
elif density_value == None:
return [], no_density
elif density_value == 0:
return [], no_density
elif density_value == '':
return [], no_density
elif reaction_names == None:
return [], no_mcnp_reaction
elif reaction_names == []:
return [], no_mcnp_reaction
else:
try:
# inputs look ok, but if the processing fails then return error
file_lines = mcnp_input_text.split('\n')
tokens = file_lines[0].split()
# makes the first string without the material number
material_string = f'{" ".join(tokens[1:])} '
# removes inline comments
if "$" in material_string:
position = material_string.find("$")
material_string = material_string[0:position]
current_line_number = 1
while True:
# end of the file check
if current_line_number == len(file_lines):
break
while True:
# end of the file check
if (current_line_number == len(file_lines)):
break
line = file_lines[current_line_number]
# handels mcnp continue line (which is 5 spaces)
if line[:5] == " ":
# removes inline comments
if "$" in line:
line = line[0:line.find("$")]
material_string = material_string + line
else: # new cell card
break
# increment the line number
current_line_number = current_line_number + 1
break
# removes end of line chars and splits up
tokens = material_string.replace("\n", "").split()
if len(tokens) % 2 != 0:
html.H4(
'The material string contains an odd number of zaids and fractions',
style={
"text-align": "center",
"color": "red"
},
)
zaid_fraction_dict = []
while len(tokens) != 0:
nuclide = tokens[0].split(".")
isotope_name = zaid_to_isotope(nuclide[0])
fraction = convert_strings_to_numbers(tokens[1])
# removes two tokens from list
tokens.pop(0)
tokens.pop(0)
zaid_fraction_dict.append({
'element': isotope_name,
'fraction': fraction
})
my_mat = Material(name="my_mat")
table_contents = []
for entry in zaid_fraction_dict:
if entry['fraction'] < 0:
fraction_type = 'wo'
else:
fraction_type = 'ao'
if entry['element'][-1].isdigit():
my_mat.add_nuclide(entry['element'],
entry['fraction'],
percent_type=fraction_type)
else:
my_mat.add_element(entry['element'],
entry['fraction'],
percent_type=fraction_type)
table_contents.append(
html.Tr([
html.Td(html.Label(f"{entry['element']}"),
style={
"width": "25%",
"text-align": "left"
}),
html.Td(html.Label(f"{entry['fraction']}"),
style={
"width": "25%",
"text-align": "left"
})
]))
my_mat.set_density("g/cm3", density_value)
if len(my_mat.nuclides) == 0:
no_elements = html.H4(
'No elements or isotopes added',
style={
"text-align": "center",
"color": "red"
},
)
return [], no_elements
else:
energy, xs_data_set = calculate_cexs(my_mat, "material",
reaction_names)
global mcnp_downloaded_data
mcnp_downloaded_data = []
table_of_processed = [
html.Table(
[
html.Tr([
html.Th('Elements / isotopes',
style={
"width": "25%",
"text-align": "left"
}),
html.Th('Fraction',
style={
"width": "25%",
"text-align": "left"
}),
]),
] + table_contents,
style={"width": "50%"},
)
]
for xs_data, reaction_name in zip(xs_data_set, reaction_names):
mcnp_downloaded_data.append({
"y": xs_data,
"x": energy,
"type": "scatter",
"name": f"MT {reaction_name}"
})
energy_units = "eV"
xs_units = "Macroscopic cross section [1/cm]"
return [
dcc.Graph(
config=dict(showSendToCloud=True),
figure={
"data": mcnp_downloaded_data,
"layout": {
"height": 800,
# "width":1600,
"margin": {
"l": 3,
"r": 2,
"t": 15,
"b": 60
},
"xaxis": {
"title": {
"text": f"Energy {energy_units}"
},
"type": xaxis_scale,
"tickformat": ".1e",
"tickangle": 45,
},
"yaxis": {
"automargin": True,
"title": {
"text": xs_units
},
"type": yaxis_scale,
"tickformat": ".1e",
},
"showlegend": True,
},
},
)
], table_of_processed
except:
return [], html.H4(
'There was an error processing the MCNP material format',
style={
"text-align": "center",
"color": "red"
},
)
import openmc
from plotly.offline import download_plotlyjs, plot
from plotly.graph_objs import Scatter, Layout
from tqdm import tqdm
all_stable_elements = ['Ag', 'Al', 'Ar', 'As', 'Au', 'B', 'Ba', 'Be', 'Bi', 'Br', 'C', 'Ca', 'Cd', 'Ce', 'Cl', 'Co', 'Cr', 'Cs', 'Cu', 'Dy', 'Er', 'Eu', 'F', 'Fe', 'Ga', 'Gd', 'Ge', 'H', 'He', 'Hf', 'Hg', 'Ho', 'I', 'In', 'Ir', 'K', 'Kr', 'La', 'Li', 'Lu', 'Mg', 'Mn', 'Mo', 'N', 'Na', 'Nb', 'Nd', 'Ne', 'Ni', 'O', 'Os', 'P', 'Pa', 'Pb', 'Pd','Po', 'Pr', 'Pt', 'Rb', 'Re', 'Rh', 'Rn', 'Ru', 'S', 'Sb', 'Sc', 'Se', 'Si', 'Sm', 'Sn', 'Sr', 'Ta', 'Tb', 'Te', 'Th', 'Ti', 'Tl', 'Tm', 'U', 'V', 'W', 'Xe', 'Y', 'Yb', 'Zn', 'Zr']
Endf_MT_number = [16,205] # MT number 16 is (n,n2) reaction, MT 205 is (n,t)
traces=[]
for element_name in tqdm(all_stable_elements):
try:
element_object = openmc.Material()
# this material defaults to a density of 1g/cm3
element_object.add_element(element_name,1.0,percent_type='ao')
energy, data = openmc.calculate_cexs(element_object, 'material', Endf_MT_number )
cross_section = data[0]
traces.append(Scatter(x=energy,
y=cross_section,
mode = 'lines',
name=element_name+' MT '+str(Endf_MT_number[0]))
)
except:
print('element failed ',element_name)
for element_name in tqdm(all_stable_elements):
try:
element_object = openmc.Material()
# this material defaults to a density of 1g/cm3
element_object.add_element(element_name,1.0,percent_type='ao')