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A wide-range multiphase equation of state for platinum
Journal of Physics: Condensed Matter ( IF 2.3 ) Pub Date : 2020-07-31 , DOI: 10.1088/1361-648x/aba428
V M Elkin 1 , V N Mikhaylov 1 , A A Ovechkin 1 , N A Smirnov 1
Affiliation  

The paper presents a semi-empirical wide-range equation of state for platinum with account for melting, evaporation, and ionization. The equation is based on a wide spectrum of experimental and calculation data. Parameters for the EOS were adjusted using a genetic algorithm which proved to perform well for optimizations in big data processing. In the regions where no experimental data were available, we used results of first-principles and average-atom model calculations. The EOS was used to calculate the melting curve of platinum to pressures above 1 TPa, sound velocities along the Hugoniot curve, parameters of melting under shock compression, and parameters of the critical point. An improved model is proposed for the shear modulus in (V ,T ) coordinates and its variation along the shock adiabat is calculated.

中文翻译:


铂的宽范围多相状态方程



本文提出了铂的半经验宽范围状态方程,考虑了熔化、蒸发和电离。该方程基于广泛的实验和计算数据。使用遗传算法调整 EOS 的参数,该算法被证明在大数据处理优化方面表现良好。在没有实验数据的区域,我们使用第一性原理和平均原子模型计算的结果。 EOS用于计算铂在1 TPa以上压力下的熔化曲线、Hugoniot曲线上的声速、冲击压缩下的熔化参数以及临界点参数。提出了(V ,T ) 坐标下剪切模量的改进模型,并计算了其沿绝热冲击的变化。
更新日期:2020-07-31
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