Abstract

Using the RP model with a Mie–Lennard-Jones pair interatomic interaction potential for a niobium nanocrystal, the changes of both the equation of state and the thermophysical properties of the nanocrystal with a decrease in its size are calculated in unity. The pressure dependences of the thermophysical properties are calculated along the isotherms at 300 and 3000 K. The dependences of the melting temperature and its derivative with respect to pressure upon changing the size and shape of a niobium nanocrystal are studied.

中文翻译：

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改变铌纳米晶体尺寸时热物理性质压力依赖性的变化

摘要

使用具有 Mie-Lennard-Jones 对原子间相互作用势的铌纳米晶体的 RP 模型，可以统一计算状态方程和纳米晶体的热物理性质随其尺寸减小的变化。沿着 300 和 3000 K 的等温线计算了热物理性质的压力依赖性。研究了熔化温度及其导数对改变铌纳米晶体尺寸和形状的压力的依赖性。