固体热中子散射数据研制程序SIRIUS

SIRIUS: A Code for Thermal Neutron Scattering Data Production for Solid Moderators

基于热中子散射的相干弹性散射、不相干弹性散射、相干非弹性散射、不相干非弹性散射4种机制,开发了可用于固体材料热中子散射数据库(TSL)研制的SIRIUS程序,并采用第一性原理晶格动力学方法计算固体材料的声子谱和声子能态密度。在此基础上计算了简单面心立方晶格(FCC)结构的金属^(27)Al的热中子散射数据,与ENDF/B-Ⅶ.1库中数据基本符合,验证了程序和方法的正确性。

Based on the coherent elastic scattering, incoherent elastic scattering, coherent inelastic scattering and incoherent inelastic scattering, a code named SIRIUS is developed to generate the thermal neutron scattering data in ENDF-6 format for solid moderators, and the ab-initio calculation is used to calculate the phonon densities of states for the these solids. The TSL data for the metal 27Al as a FCC structure are generated by SIRIUS code, and are consistent with the data from ENDF/B-VII. 1 library, which validate the correctness of the SIRIUS code.