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Preprints of the Keldysh Institute of Applied Mathematics, 2021, 081, 11 pp.
DOI: https://doi.org/10.20948/prepr-2021-81
(Mi ipmp2998)
 

Molecular dynamic modeling of thermal hysteresis of gold

V. I. Mazhukin, O. N. Koroleva, A. V. Shapranov, A. A. Aleksashkina, M. M. Demin
References:
Abstract: Molecular dynamics (MD) modeling of the thermal hysteresis of pure metallic gold (Au) is considered in order to study nonequilibrium processes during melting - crystallization phase transformations, i.e. in the transition from solid to liquid. The results of alternative calculations are presented, in which the thermal hysteresis is obtained. The limiting temperatures of overheating of the solid phase during melting and supercooling of the liquid phase during the crystallization of gold have been obtained. The possibility of the formation of highly superheated metastable states of the solid phase upon rapid heating of Au has been confirmed.
Keywords: molecular dynamics modeling, thermal hysteresis, phase transitions, melting-crystallization.
Funding agency Grant number
Russian Science Foundation 18-11-00318
Document Type: Preprint
Language: Russian
Citation: V. I. Mazhukin, O. N. Koroleva, A. V. Shapranov, A. A. Aleksashkina, M. M. Demin, “Molecular dynamic modeling of thermal hysteresis of gold”, Keldysh Institute preprints, 2021, 081, 11 pp.
Citation in format AMSBIB
\Bibitem{MazKorSha21}
\by V.~I.~Mazhukin, O.~N.~Koroleva, A.~V.~Shapranov, A.~A.~Aleksashkina, M.~M.~Demin
\paper Molecular dynamic modeling of thermal hysteresis of gold
\jour Keldysh Institute preprints
\yr 2021
\papernumber 081
\totalpages 11
\mathnet{http://mi.mathnet.ru/ipmp2998}
\crossref{https://doi.org/10.20948/prepr-2021-81}
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    Препринты Института прикладной математики им. М. В. Келдыша РАН
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