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中国物理学会期刊

亚化学计量金属氢化物热散射律数据计算分析

CSTR: 32037.14.aps.74.20250928

Calculation and analysis of thermal scattering law data of sub-stoichiometric metal hydrides

CSTR: 32037.14.aps.74.20250928
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  • 金属氢化物是先进反应堆研发中具有重要应用前景的中子慢化剂材料, 其热中子散射数据对反应堆设计精度具有重要影响. 本文通过准随机结构和第一性原理晶格动力学方法, 计算了亚化学计量氢化锆和氢化钇的声子态密度等参数, 以此为基础, 基于核数据处理程序NECP-Atlas计算获得了不同亚化学计量氢化物的热中子散射律数据, 并分析了氢含量对氢化物热散射截面以及临界装置有效增殖系数的影响. 研究表明: 氢化物中氢含量的变化导致热散射截面存在差异, 进而影响核反应堆的计算结果, 对于装载氢化锆的ICT003和ICT013系列基准题(H/Zr约为1.6), 采用其他氢含量氢化锆的热散射律数据导致有效增殖系数最大偏差为104 pcm; 对于装载ZrH2的HCM003系列基准题, 采用其他氢含量氢化锆热散射律数据导致有效增殖系数最大偏差为147 pcm. 本文数据集可在科学数据银行数据库https://www.doi.org/10.57760/sciencedb.j00213.00179中访问获取.

     

    Metal hydrides are promising moderator materials in advanced reactors, where their thermal neutron scattering cross sections significantly affect the accuracy of reactor design. This study uses special quasi random structure (SQS) and first-principles lattice dynamics methods to calculate parameters such as the phonon densities of states of sub-stoichiometric zirconium hydride (ZrHx) and yttrium hydride (YHx). Based on these parameters, thermal scattering law (TSL) data for sub-stoichiometric hydrides are generated using the nuclear data processing code NECP-Atlas. The influences of hydrogen content on the thermal scattering cross sections of hydrides and the effective multiplication factor (keff) values of critical assemblies are analyzed. The result shows that variations in hydrogen content within hydrides lead to differences in thermal scattering cross sections, consequently affecting the neutron transport calculations of nuclear reactor. For the ICT003 and ICT013 benchmarks loaded with ZrHx (with H/Zr ≈ 1.6), using the TSL data derived from ZrHx with other hydrogen content results in a maximum deviation of 104 pcm in keff. For the HCM003 benchmarks loaded with ZrH2, the use of TSL from ZrHx with other hydrogen content leads to a maximum deviation of 147 pcm in keff.

     

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