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Mathematical Models and Computer Simulations

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01-08-2022

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

Authors: V. I. Mazhukin, O. N. Koroleva, A. V. Shapranov, M. M. Demin, A. A. Aleksashkina

Published in: Mathematical Models and Computer Simulations | Issue 4/2022

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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.

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Title: Determination of Thermal Properties of Gold in the Region of Melting–Crystallization Phase Transition: Molecular Dynamics Approach
Authors: V. I. Mazhukin
O. N. Koroleva
A. V. Shapranov
M. M. Demin
A. A. Aleksashkina
Publication date: 01-08-2022
Publisher: Pleiades Publishing
Published in: Mathematical Models and Computer Simulations / Issue 4/2022
Print ISSN: 2070-0482
Electronic ISSN: 2070-0490
DOI: https://doi.org/10.1134/S2070048222040068

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