我实验室人员曹启龙博士等在物理类权威期刊（物理类二区TOP期刊）J. Chem. Phys.发表科研论文，值得提及的是这是建院以来物理专业老师取得的突破性成果。

题目：Transport coefficients and entropy-scaling law in liquid iron up to Earth-core pressures

作者：Qi-Long Cao （曹启龙）, Pan-Pan Wang（汪盼盼）, Duo-Hui Huang（黄多辉）, Jun-Sheng Yang（杨俊升）, Ming-Jie Wan（万明杰）, and Fan-Hou Wang（王藩侯）

摘要：Molecular dynamics simulations were applied to study the structural and transport properties, including the pair distribution function, the structure factor, the pair correlation entropy, self-diffusion coefficient, and viscosity, of liquid iron under high temperature and high pressure conditions. Our calculated results reproduced experimentally determined structure factors of liquid iron, and the calculated self-diffusion coefficients and viscosity agree well with previous simulation results.We show that there is a moderate increase of self-diffusion coefficients and viscosity along themelting curve up to the Earth-core pressure. Furthermore, the temperature dependencies of the pair correlation entropy, self-diffusion, and viscosity under high pressure condition have been investigated. Our results suggest that the temperature dependence of the pair correlation entropy is well described by T−1 scaling, while the Arrhenius law well describes the temperature dependencies of self-diffusion coefficients and viscosity under high pressure. In particular, we find that the entropy-scaling laws, proposed by Rosenfeld [Phys. Rev. A 15, 2545 (1977)] and Dzugutov [Nature (London) 381, 137 (1996)] for self-diffusion coefficients and viscosity in liquid metals under ambient pressure, still hold well for liquid iron under high temperature and high pressure conditions. Using the entropy-scaling laws, we can obtain transport properties from structural properties under high pressure and high temperature conditions. The results provide a useful ingredient in understanding transport properties of planet’s cores.

影响因子： 3.333

分区： 二区

链接：http://dx.doi.org/10.1063/1.4868550