2. 材料配置文件¶
为了方便用户定义材料，CRANE会提供一个 YAML 格式的材料配置文件。
该文件名为 material_db.yaml，并与 多群常数库文件 一样，
会随程序一起默认安装在 /<安装目录>/ngm/data_files/ 下。
其中该材料配置文件的内容包含以下三部分：
核素
nuclides，定义了每类核素的名称以及同位素成分组成，例如天然铀就是通过U-234, U-235, U-236和U-238四种同位素以一定的比例组成;化合物
compounds，化合物是几种同位素以一定的原子数量比率组成的，如UO2、GD2O3、B4C等;混合物
mixtures，混合物则是几种同位素以一定的重量百分比组成的，如SS304、SS316、AIC等。
其中化合物 compounds、和混合物 mixtures 是用户可以添加或修改的，并且可以直接作为预先配置好的 mateiral 来使用的，
以方便用户使用。
材料配置文件中的具体内容如下：
materials:
############################ nuclides ###############################
- name: H-H2O
elements: [3001,]
number_density_percents: [ 1.000000,]
- name: H-ZrH
elements: [5001,]
number_density_percents: [ 1.000000,]
- name: D-D2O
elements: [3002,]
number_density_percents: [ 1.000000,]
- name: He-3
elements: [ 3,]
number_density_percents: [ 1.000000,]
- name: He-4
elements: [ 4,]
number_density_percents: [ 1.000000,]
- name: Li-6
elements: [ 6,]
number_density_percents: [ 1.000000,]
- name: Li-7
elements: [ 7,]
number_density_percents: [ 1.000000,]
- name: Be-nat
elements: [ 9,]
number_density_percents: [ 1.000000,]
- name: B-10b
elements: [ 10,]
number_density_percents: [ 1.000000,]
- name: B-10
elements: [1010,]
number_density_percents: [ 1.000000,]
- name: B-11
elements: [ 11,]
number_density_percents: [ 1.000000,]
- name: B-nat
elements: [1011,]
number_density_percents: [ 1.000000,]
- name: C-nat
elements: [2012,]
number_density_percents: [ 1.000000,]
- name: N-nat
elements: [ 14,]
number_density_percents: [ 1.000000,]
- name: O-nat
elements: [6016,]
number_density_percents: [ 1.000000,]
- name: F-nat
elements: [ 19,]
number_density_percents: [ 1.000000,]
- name: Na-nat
elements: [ 23,]
number_density_percents: [ 1.000000,]
- name: Mg-nat
elements: [ 24,]
number_density_percents: [ 1.000000,]
- name: Al-nat
elements: [ 27,]
number_density_percents: [ 1.000000,]
- name: Si-nat
elements: [ 29,]
number_density_percents: [ 1.000000,]
- name: P-nat
elements: [ 31,]
number_density_percents: [ 1.000000,]
- name: S-nat
elements: [ 32,]
number_density_percents: [ 1.000000,]
- name: Cl-nat
elements: [ 35,]
number_density_percents: [ 1.000000,]
- name: Ca-nat
elements: [ 40,]
number_density_percents: [ 1.000000,]
- name: Ti-nat
elements: [ 48,]
number_density_percents: [ 1.000000,]
- name: V-nat
elements: [ 51,]
number_density_percents: [ 1.000000,]
- name: Cr-nat
elements: [ 52,]
number_density_percents: [ 1.000000,]
- name: Mn-nat
elements: [ 55,]
number_density_percents: [ 1.000000,]
- name: Fe-nat
elements: [2056,]
number_density_percents: [ 1.000000,]
- name: Ni-nat
elements: [ 58,]
number_density_percents: [ 1.000000,]
- name: Co-59
elements: [1059,]
number_density_percents: [ 1.000000,]
- name: Cu-nat
elements: [3063,]
number_density_percents: [ 1.000000,]
- name: Zr-nat
elements: [ 91,]
number_density_percents: [ 1.000000,]
- name: Nb-93
elements: [ 93,]
number_density_percents: [ 1.000000,]
- name: Mo-nat
elements: [ 96,]
number_density_percents: [ 1.000000,]
- name: Ag-nat
elements: [3109,]
number_density_percents: [ 1.000000,]
- name: Cd-nat
elements: [2113,]
number_density_percents: [ 1.000000,]
- name: In-nat
elements: [2115,]
number_density_percents: [ 1.000000,]
- name: Sn-nat
elements: [ 118,]
number_density_percents: [ 1.000000,]
- name: Sb-121
elements: [ 121,]
number_density_percents: [ 1.000000,]
- name: Sb-123
elements: [ 123,]
number_density_percents: [ 1.000000,]
- name: Eu-nat
elements: [ 152,]
number_density_percents: [ 1.000000,]
- name: Gd-154
elements: [2154,]
number_density_percents: [ 1.000000,]
- name: Gd-155
elements: [2155,]
number_density_percents: [ 1.000000,]
- name: Gd-156
elements: [2156,]
number_density_percents: [ 1.000000,]
- name: Gd-157
elements: [2157,]
number_density_percents: [ 1.000000,]
- name: Gd-158
elements: [2158,]
number_density_percents: [ 1.000000,]
- name: Dy-160
elements: [ 160,]
number_density_percents: [ 1.000000,]
- name: Dy-161
elements: [ 161,]
number_density_percents: [ 1.000000,]
- name: Dy-162
elements: [ 162,]
number_density_percents: [ 1.000000,]
- name: Dy-163
elements: [ 163,]
number_density_percents: [ 1.000000,]
- name: Dy-164
elements: [ 164,]
number_density_percents: [ 1.000000,]
- name: Ho-165
elements: [ 165,]
number_density_percents: [ 1.000000,]
- name: Dy-156-cr
elements: [6656,]
number_density_percents: [ 1.000000,]
- name: Dy-157-cr
elements: [6657,]
number_density_percents: [ 1.000000,]
- name: Dy-158-cr
elements: [6658,]
number_density_percents: [ 1.000000,]
- name: Dy-159-cr
elements: [6659,]
number_density_percents: [ 1.000000,]
- name: Dy-160-cr
elements: [6660,]
number_density_percents: [ 1.000000,]
- name: Dy-161-cr
elements: [6661,]
number_density_percents: [ 1.000000,]
- name: Dy-162-cr
elements: [6662,]
number_density_percents: [ 1.000000,]
- name: Dy-163-cr
elements: [6663,]
number_density_percents: [ 1.000000,]
- name: Dy-164-cr
elements: [6664,]
number_density_percents: [ 1.000000,]
- name: Dy-165-cr
elements: [6665,]
number_density_percents: [ 1.000000,]
- name: Ho-165-cr
elements: [6765,]
number_density_percents: [ 1.000000,]
- name: Er-166
elements: [2166,]
number_density_percents: [ 1.000000,]
- name: Er-167
elements: [2167,]
number_density_percents: [ 1.000000,]
- name: Hf-176
elements: [2176,]
number_density_percents: [ 1.000000,]
- name: Hf-177
elements: [2177,]
number_density_percents: [ 1.000000,]
- name: Hf-178
elements: [2178,]
number_density_percents: [ 1.000000,]
- name: Hf-179
elements: [2179,]
number_density_percents: [ 1.000000,]
- name: Hf-180
elements: [2180,]
number_density_percents: [ 1.000000,]
- name: Hf-nat
elements: [ 178,]
number_density_percents: [ 1.000000,]
- name: Ta-nat
elements: [ 181,]
number_density_percents: [ 1.000000,]
- name: W-nat
elements: [ 183,]
number_density_percents: [ 1.000000,]
- name: W-182
elements: [4182,]
number_density_percents: [ 1.000000,]
- name: W-183
elements: [4183,]
number_density_percents: [ 1.000000,]
- name: W-184
elements: [4184,]
number_density_percents: [ 1.000000,]
- name: W-186
elements: [4186,]
number_density_percents: [ 1.000000,]
- name: Re-187
elements: [5187,]
number_density_percents: [ 1.000000,]
- name: Pb-nat
elements: [ 207,]
number_density_percents: [ 1.000000,]
- name: Kr-83
elements: [4083,]
number_density_percents: [ 1.000000,]
- name: Mo-95
elements: [4095,]
number_density_percents: [ 1.000000,]
- name: Tc-99
elements: [4099,]
number_density_percents: [ 1.000000,]
- name: Ru-101
elements: [4101,]
number_density_percents: [ 1.000000,]
- name: Ru-103
elements: [5103,]
number_density_percents: [ 1.000000,]
- name: Ru-106
elements: [4106,]
number_density_percents: [ 1.000000,]
- name: Rh-103
elements: [4103,]
number_density_percents: [ 1.000000,]
- name: Rh-105
elements: [4105,]
number_density_percents: [ 1.000000,]
- name: Pd-105
elements: [5105,]
number_density_percents: [ 1.000000,]
- name: Pd-107
elements: [4107,]
number_density_percents: [ 1.000000,]
- name: Pd-108
elements: [4108,]
number_density_percents: [ 1.000000,]
- name: Ag-109
elements: [4109,]
number_density_percents: [ 1.000000,]
- name: Cd-113
elements: [4113,]
number_density_percents: [ 1.000000,]
- name: In-115
elements: [4115,]
number_density_percents: [ 1.000000,]
- name: Sb-125
elements: [4125,]
number_density_percents: [ 1.000000,]
- name: Te-127m
elements: [5127,]
number_density_percents: [ 1.000000,]
- name: I-127
elements: [4127,]
number_density_percents: [ 1.000000,]
- name: Xe-131
elements: [4131,]
number_density_percents: [ 1.000000,]
- name: Cs-133
elements: [4133,]
number_density_percents: [ 1.000000,]
- name: Cs-134
elements: [4134,]
number_density_percents: [ 1.000000,]
- name: Cs-137
elements: [4137,]
number_density_percents: [ 1.000000,]
- name: I-135
elements: [6135,]
number_density_percents: [ 1.000000,]
- name: Xe-134
elements: [5134,]
number_density_percents: [ 1.000000,]
- name: Xe-135
elements: [4135,]
number_density_percents: [ 1.000000,]
- name: Cs-135
elements: [5135,]
number_density_percents: [ 1.000000,]
- name: Xe-136
elements: [4136,]
number_density_percents: [ 1.000000,]
- name: Nd-143
elements: [4143,]
number_density_percents: [ 1.000000,]
- name: Nd-145
elements: [4145,]
number_density_percents: [ 1.000000,]
- name: Pm-147a
elements: [4147,]
number_density_percents: [ 1.000000,]
- name: Pm-147b
elements: [5147,]
number_density_percents: [ 1.000000,]
- name: Sm-147
elements: [6147,]
number_density_percents: [ 1.000000,]
- name: Pm-148m
elements: [4148,]
number_density_percents: [ 1.000000,]
- name: Pm-148
elements: [5148,]
number_density_percents: [ 1.000000,]
- name: Sm-148
elements: [6148,]
number_density_percents: [ 1.000000,]
- name: Pm-149
elements: [5149,]
number_density_percents: [ 1.000000,]
- name: Sm-149
elements: [4149,]
number_density_percents: [ 1.000000,]
- name: Sm-150
elements: [4150,]
number_density_percents: [ 1.000000,]
- name: Sm-151
elements: [4151,]
number_density_percents: [ 1.000000,]
- name: Sm-152
elements: [4152,]
number_density_percents: [ 1.000000,]
- name: Eu-151
elements: [5151,]
number_density_percents: [ 1.000000,]
- name: Eu-152
elements: [5152,]
number_density_percents: [ 1.000000,]
- name: Eu-153
elements: [4153,]
number_density_percents: [ 1.000000,]
- name: Eu-154
elements: [4154,]
number_density_percents: [ 1.000000,]
- name: Eu-155
elements: [4155,]
number_density_percents: [ 1.000000,]
- name: FP4902
elements: [4902,]
number_density_percents: [ 1.000000,]
- name: Th-232
elements: [2232,]
number_density_percents: [ 1.000000,]
- name: U-232f
elements: [4232,]
number_density_percents: [ 1.000000,]
- name: U-232
elements: [ 232,]
number_density_percents: [ 1.000000,]
- name: U-233
elements: [9233,]
number_density_percents: [ 1.000000,]
- name: Pa-231
elements: [1231,]
number_density_percents: [ 1.000000,]
- name: Pa-233
elements: [1233,]
number_density_percents: [ 1.000000,]
- name: U-234
elements: [ 234,]
number_density_percents: [ 1.000000,]
- name: U-235
elements: [2235,]
number_density_percents: [ 1.000000,]
- name: U-236
elements: [ 236,]
number_density_percents: [ 1.000000,]
- name: U-237f
elements: [4927,]
number_density_percents: [ 1.000000,]
- name: U-237
elements: [ 927,]
number_density_percents: [ 1.000000,]
- name: U-238
elements: [8238,]
number_density_percents: [ 1.000000,]
- name: Np-237
elements: [ 937,]
number_density_percents: [ 1.000000,]
- name: Np-239
elements: [1939,]
number_density_percents: [ 1.000000,]
- name: Pu-238
elements: [ 948,]
number_density_percents: [ 1.000000,]
- name: Pu-239
elements: [6239,]
number_density_percents: [ 1.000000,]
- name: Pu-240
elements: [1240,]
number_density_percents: [ 1.000000,]
- name: Pu-241
elements: [1241,]
number_density_percents: [ 1.000000,]
- name: Pu-242h
elements: [ 242,]
number_density_percents: [ 1.000000,]
- name: Pu-242l
elements: [1242,]
number_density_percents: [ 1.000000,]
- name: Am-241
elements: [ 951,]
number_density_percents: [ 1.000000,]
- name: Am-242
elements: [1952,]
number_density_percents: [ 1.000000,]
- name: Am-242m
elements: [ 952,]
number_density_percents: [ 1.000000,]
- name: Am-243
elements: [ 953,]
number_density_percents: [ 1.000000,]
- name: Cm-242
elements: [ 962,]
number_density_percents: [ 1.000000,]
- name: Cm-243
elements: [ 963,]
number_density_percents: [ 1.000000,]
- name: Cm-244
elements: [ 964,]
number_density_percents: [ 1.000000,]
- name: B-nat-b
elements: [ 10, 11,]
number_density_percents: [ 0.197800, 0.802200,]
- name: Gd-nat
elements: [2154,2155,2156,2157,2158,]
number_density_percents: [ 0.021800, 0.148000, 0.204700, 0.156500, 0.469000,]
- name: Er-nat
elements: [2166,2167,]
number_density_percents: [ 0.336000, 0.664000,]
- name: Hf-nat-b
elements: [2176,2177,2178,2179,2180,]
number_density_percents: [ 0.052060, 0.186060, 0.272970, 0.136290, 0.352620,]
- name: U-nat
elements: [ 234,2235, 236,8238,]
number_density_percents: [ 0.000050, 0.007200, 0.000010, 0.992740,]
############################ compounds ###############################
- name: H2O
elements: [H-H2O, O-nat, ]
atom_ratio: [ 2.000000, 1.000000,]
density: 0.998200
- name: D2O
elements: [D-D2O, O-nat, ]
atom_ratio: [ 2.000000, 1.000000,]
density: 1.105400
- name: BOR
elements: [B-nat, ]
atom_ratio: [ 1.000000,]
density: 2.370000
- name: B4C
elements: [B-nat-b, C-nat, ]
atom_ratio: [ 4.000000, 1.000000,]
density: 2.520000
- name: B4CUB
elements: [B-nat, C-nat, ]
atom_ratio: [ 4.000000, 1.000000,]
density: 2.520000
- name: ZRH2
elements: [H-ZrH, Zr-nat, ]
atom_ratio: [ 2.000000, 1.000000,]
density: 5.610000
- name: UO2
elements: [O-nat, U-nat, ]
atom_ratio: [ 2.000000, 1.000000,]
density: 10.960000
- name: UC
elements: [C-nat, U-nat, ]
atom_ratio: [ 1.000000, 1.000000,]
density: 13.630000
- name: GD2O3
elements: [O-nat, Gd-nat, ]
atom_ratio: [ 3.000000, 2.000000,]
density: 8.330000
- name: ER2O3
elements: [O-nat, Er-nat, ]
atom_ratio: [ 3.000000, 2.000000,]
density: 8.640000
- name: AL2O3
elements: [O-nat, Al-nat, ]
atom_ratio: [ 3.000000, 2.000000,]
density: 3.970000
- name: B2O3
elements: [B-nat-b, O-nat, ]
atom_ratio: [ 2.000000, 3.000000,]
density: 2.230000
- name: ZRB2
elements: [B-nat-b, Zr-nat, ]
atom_ratio: [ 2.000000, 1.000000,]
density: 6.090000
- name: H3BO3
elements: [H-H2O, B-nat, O-nat, ]
atom_ratio: [ 3.000000, 1.000000, 3.000000,]
density: 1.435000
- name: Na2O
elements: [Na-nat, O-nat, ]
atom_ratio: [ 2.000000, 1.000000,]
density: 2.270000
- name: SiO2
elements: [Si-nat, O-nat, ]
atom_ratio: [ 1.000000, 2.000000,]
density: 2.200000
############################ mixtures ###############################
- name: SS304
elements: [C-nat, Si-nat, P-nat, Cr-nat, Mn-nat, Fe-nat, Ni-nat, ]
weight_percents: [ 0.000800, 0.010000, 0.000450, 0.190000, 0.020000, 0.683750, 0.095000,]
density: 7.940000
- name: SS316
elements: [C-nat, Si-nat, P-nat, Cr-nat, Mn-nat, Fe-nat, Ni-nat, Mo-nat, ]
weight_percents: [ 0.000800, 0.010000, 0.000450, 0.170000, 0.020000, 0.653750, 0.120000, 0.025000,]
density: 8.030000
- name: ZIRC2
elements: [Cr-nat, Fe-nat, Ni-nat, Zr-nat, Sn-nat, Hf-nat, ]
weight_percents: [ 0.001000, 0.001350, 0.000550, 0.982500, 0.014500, 0.000100,]
density: 6.550000
- name: ZIRC4
elements: [Cr-nat, Fe-nat, Zr-nat, Sn-nat, Hf-nat, ]
weight_percents: [ 0.001000, 0.002100, 0.982300, 0.014500, 0.000100,]
density: 6.550000
- name: ZIRLO
elements: [Sn-nat, Fe-nat, Zr-nat, Nb-93, ]
weight_percents: [ 0.010000, 0.001000, 0.979000, 0.010000,]
density: 6.550000
- name: CSTELL
elements: [Fe-nat, C-nat, ]
weight_percents: [ 0.990000, 0.010000,]
density: 7.821200
- name: AIC
elements: [Ag-nat, Cd-nat, In-nat, ]
weight_percents: [ 0.800000, 0.050000, 0.150000,]
density: 10.170000
- name: INCONEL
elements: [Si-nat, Ti-nat, Cr-nat, Fe-nat, Ni-nat, ]
weight_percents: [ 0.025000, 0.025000, 0.150000, 0.070000, 0.730000,]
density: 8.300000
- name: PYREX
elements: [B-nat-b, O-nat, Na-nat, Al-nat, Si-nat, ]
weight_percents: [ 0.037000, 0.535000, 0.041000, 0.010000, 0.377000,]
density: 2.230000
- name: AIR
elements: [C-nat, N-nat, O-nat, ]
weight_percents: [ 0.000126, 0.765080, 0.234793,]
density: 0.001205
- name: HE
elements: [He-4, ]
weight_percents: [ 1.000000,]
density: 0.001000
- name: FA-Bglass
elements: [B-nat-b, Al-nat, O-nat, Si-nat, ]
weight_percents: [ 0.03857, 0.000688, 0.543412, 0.41733,]
density: 2.230000
- name: M5
density: 6.50
elements:
- Nb-93
- O-nat
- S-nat
- Al-nat
- N-nat
- Ca-nat
- C-nat
- Cl-nat
- Cr-nat
- Cu-nat
- Sn-nat
- Fe-nat
- Hf-nat
- H-H2O
- Mg-nat
- Mn-nat
- Mo-nat
- Ni-nat
- P-nat
- Pb-nat
- Si-nat
- Na-nat
- Ta-nat
- Ti-nat
- W-nat
- V-nat
- Zr-nat
weight_percents:
- 0.01000
- 0.00140
- 0.0000225
- 0.0000375
- 0.00004
- 0.000015
- 0.00005
- 0.00001
- 0.000075
- 0.000025
- 0.00005
- 0.00025
- 0.00005
- 0.0000125
- 0.00001
- 0.000025
- 0.000025
- 0.000035
- 0.00001
- 0.000065
- 0.00006
- 0.00001
- 0.00005
- 0.000025
- 0.00005
- 0.000025
- 0.9875725
thermal_property:
- name: Inconel_600
coldensity: 8470.57 # kg/m^3
temperature: [-73.0, 93.0, 204.0, 427.0, 649.0, 871.0] # C
conductivity: [ 13.4, 15.71, 17.44, 20.9, 24.79, 28.83] # kJ/kG-K
heatcapacity: [0.377, 0.464, 0.485, 0.527, 0.586, 0.623] # W/m-k