Determination of Thermal Properties of Gold in the Region of Melting–Crystallization Phase Transition: Molecular Dynamics Approach

被引：0
作者：
Mazhukin V.I. [1 ]
Koroleva O.N. [1 ]
Shapranov A.V. [1 ]
Demin M.M. [1 ]
Aleksashkina A.A. [1 ]
机构：
[1] Keldysh Institute of Applied Mathematics, Russian Academy of Sciences, Moscow
来源：
Mathematical Models and Computer Simulations | 2022年 / 14卷 / 4期
基金：
俄罗斯科学基金会;
关键词：
hysteresis; molecular dynamics modeling; phase transitions; thermophysical properties;
D O I：
10.1134/S2070048222040068
中图分类号：
学科分类号：
摘要：
Abstract: Molecular dynamics (MD) modeling of the thermophysical properties of pure metallic gold (Au) and hysteresis is considered in order to study its behavior during melting–crystallization phase transformations, i.e., in the transition from solid to liquid. The results of computational experiments are presented, in which the temperature dependences of a number of thermophysical characteristics of the metal are obtained. The possibility of the formation of highly superheated metastable states of the solid phase upon rapid heating of Au has been confirmed. © 2022, Pleiades Publishing, Ltd.
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页码：662 / 676
页数：14
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