#!/bin/python3
import openmc

############ MATERIALS ############ 
# All materials are specified in the report on HEAT PIPE MICROREACTOR MODELING WITH BLUECRAB
# <https://www.tandfonline.com/doi/full/10.1080/00295639.2024.2375175>
# Materials marked PNNL-15870 are from the 2nd revision of the report "Compendium of Material
# Composition Data for Radiation Transport Modeling " by US Dept. of Homeland Security and PNNL
# <https://www.pnnl.gov/main/publications/external/technical_reports/PNNL-15870Rev2.pdf>
mat_list = []

## Matrix Graphite ##
mat_graphite_matrix = openmc.Material(name="Graphite Matrix (inside/outside)")
mat_graphite_matrix.add_element("C",1.0)
mat_graphite_matrix.add_nuclide("B10",0.3e-6)
mat_graphite_matrix.set_density("g/cc",1.806)
mat_list.append(mat_graphite_matrix)

## TRISO Pins ##
mat_triso_uco = openmc.Material(name="TRISO Pin UCO Kernel")
mat_triso_uco.add_element("U",1.0,enrichment=19.95,enrichment_type="wo")
mat_triso_uco.add_element("C",1.0)
mat_triso_uco.add_element("O",1.0)
mat_triso_uco.set_density("g/cc",10.744)
mat_triso_uco.add_s_alpha_beta("c_Graphite")
mat_list.append(mat_triso_uco)

mat_triso_buffer = openmc.Material(name="TRISO Pin Buffer")
mat_triso_buffer.add_element("C",1.0)
mat_triso_buffer.add_s_alpha_beta("c_Graphite")
mat_triso_buffer.set_density("g/cc",1.04)
mat_list.append(mat_triso_buffer)

mat_triso_pyc1 = openmc.Material(name="TRISO Pin PyC1")
mat_triso_pyc1.add_element("C",1.0)
mat_triso_pyc1.add_s_alpha_beta("c_Graphite")
mat_list.append(mat_triso_pyc1)

mat_triso_sic = openmc.Material(name="TRISO Pin SiC")
mat_triso_sic.add_element("Si",1.0)
mat_triso_sic.add_element("C",1.0)
mat_triso_sic.add_s_alpha_beta("c_Graphite")
mat_triso_sic.set_density("g/cc",3.171)
mat_list.append(mat_triso_sic)

mat_triso_pyc2 = openmc.Material(name="TRISO Pin PyC2")
mat_triso_pyc2.add_element("C",1.0)
mat_triso_pyc2.add_s_alpha_beta("c_Graphite")
mat_triso_pyc2.set_density("g/cc",1.882)
mat_list.append(mat_triso_pyc2)

## Moderator Pins ##
mat_mod_helium = openmc.Material(name="Moderator Pin Helium")
mat_mod_helium.add_element("He",1.0)
mat_mod_helium.set_density("g/cc",0.18e-3)
mat_list.append(mat_mod_helium)

mat_mod_ss316 = openmc.Material(name="Moderator Pin SS316")
mat_mod_ss316.add_element("C",0.000800,"wo")
mat_mod_ss316.add_element("Mn",0.020000,"wo")
mat_mod_ss316.add_element("P",0.000450,"wo")
mat_mod_ss316.add_element("S",0.000300,"wo")
mat_mod_ss316.add_element("Si",0.010000,"wo")
mat_mod_ss316.add_element("Cr",0.170000,"wo")
mat_mod_ss316.add_element("Ni",0.120000,"wo")
mat_mod_ss316.add_element("Mo",0.025000,"wo")
mat_mod_ss316.add_element("Fe",0.653450,"wo")
mat_mod_ss316.set_density("g/cc",7.67)
mat_list.append(mat_mod_ss316)

mat_mod_yh2 = openmc.Material(name="Moderater Pin YH2")
mat_mod_yh2.add_element("Y",1.0)
mat_mod_yh2.add_element("H",2.0)
mat_mod_yh2.add_s_alpha_beta("c_H_YH2")
mat_mod_yh2.set_density("g/cc",4.3)
mat_list.append(mat_mod_yh2)

## Heat Pipes ##
mat_pipe_helium = openmc.Material(name="Heat Pipe Helium")
mat_pipe_helium.add_element("He",1.0)
mat_pipe_helium.set_density("g/cc",0.18e-3)
mat_list.append(mat_pipe_helium)

mat_pipe_ss316 = openmc.Material(name="Heat Pipe SS316")
mat_pipe_ss316.add_element("C",0.000800,"wo")
mat_pipe_ss316.add_element("Mn",0.020000,"wo")
mat_pipe_ss316.add_element("P",0.000450,"wo")
mat_pipe_ss316.add_element("S",0.000300,"wo")
mat_pipe_ss316.add_element("Si",0.010000,"wo")
mat_pipe_ss316.add_element("Cr",0.170000,"wo")
mat_pipe_ss316.add_element("Ni",0.120000,"wo")
mat_pipe_ss316.add_element("Mo",0.025000,"wo")
mat_pipe_ss316.add_element("Fe",0.653450,"wo")
mat_pipe_ss316.set_density("g/cc",7.67)
mat_list.append(mat_pipe_ss316)

mat_pipe_k_liquid = openmc.Material(name="Heat Pipe Potassium (Liquid)")
mat_pipe_k_liquid.add_element("K",1.0)
mat_pipe_k_liquid.set_density("g/cc",0.705)
mat_list.append(mat_pipe_k_liquid)

mat_pipe_wick = openmc.Material.mix_materials(
        name = "Heat Pipe Wick",
        materials = [mat_pipe_k_liquid, mat_pipe_ss316],
        fracs = [0.7, 0.3],
        percent_type = 'vo'
        )
mat_list.append(mat_pipe_wick)

mat_pipe_k_gas = openmc.Material(name="Heat Pipe Potassium (Gaseous)")
mat_pipe_k_gas.add_element("K",1.0)
mat_pipe_k_gas.set_density("g/cc",1.11e-4)
mat_list.append(mat_pipe_k_gas)

## Export ##
materials = openmc.Materials(mat_list)
materials.export_to_xml()


############ GEOMETRY ############ 



############ SETTINGS ############