KIAM Main page Web Library  •  Publication Searh  Русский 
Publication

KIAM Preprint № 81, Moscow, 2021
Authors: Mazhukin V.I., Koroleva O.N., Shapranov A.V., Aleksashkina A.A., Demin M.M.
Molecular dynamic modeling of thermal hysteresis of gold
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
Publication language: russian,  pages: 11
Research direction:
Mathematical modelling in actual problems of science and technics
Russian source text:
Export link to publication in format:   RIS    BibTeX
View statistics (updated once a day)
over the last 30 days — 8 (-21), total hit from 25.11.2021 — 37
About authors:
  • Mazhukin Vladimir Ivanovich,  orcid.org/0000-0001-5590-3731KIAM RAS
  • Koroleva Olga Nikolaevna,  orcid.org/0000-0001-5292-1336KIAM RAS
  • Shapranov Alexander Viktorovich,  orcid.org/0000-0001-8851-2286KIAM RAS
  • Aleksashkina Anna Andreevna,  orcid.org/0000-0002-1138-7509KIAM RAS
  • Demin Mikhail Mikhailovich,  orcid.org/0000-0001-6662-7699KIAM RAS