Bound electron screening effect on ion-ion potential of warm and hot dense matter.
Bound electron screening effect on ion-ion potential of warm and hot dense matter.
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DOI：
10.1103/physreve.103.l051203
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发表时间：
2021-05
期刊：
影响因子：
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通讯作者：
Meng Lv;Ke Li;ChuanLiang Wang;R. Hu;Yang Zhao;Jiayu Dai
中科院分区：
文献类型：
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作者：
Meng Lv;Ke Li;ChuanLiang Wang;R. Hu;Yang Zhao;Jiayu Dai
分析研究了热和热致密物质中束缚电子屏蔽的影响，同时给出了屏蔽的短程斥力的理论描述。提出了一个包括经典电荷筛选和不同温度和密度下的化学键吸引的经验离子-离子势。通过求解超网状链方程，并将得到的径向分布函数（RDF）与初算模拟结果进行比较，发现在较宽的温度和密度范围内，热致密铝和铁的离子-离子势是有希望的。用所得RDF计算的热致密铝边缘结构附近的弹性散射振幅和x射线吸收与实验结果吻合较好。
The effects of bound electron screening in warm and hot dense matter are investigated analytically and a theoretical description of screened short-range repulsion is given meanwhile. An empirical ion-ion potential including the classic charge screening and chemical bond attraction at various temperatures and densities is proposed. By solving hypernetted chain equations and comparing the obtained radial distribution function (RDF) with ab initio simulations, the proposed ion-ion potential is found to be promising over a wide range of temperatures and densities for warm dense aluminum and iron. The elastic scattering amplitude and the x-ray absorption near the edge structure of warm dense aluminum calculated from the obtained RDF are in good agreement with experiment results.