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Calculation of thermodynamic properties of metals and their binary alloys by the perturbation theory

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dc.contributor.authorBogdanova, Y. A.
dc.contributor.authorGubin, S. A.
dc.contributor.authorMaklashova, I. V.
dc.contributor.authorБогданова, Юлия Андреевна
dc.contributor.authorГубин, Сергей Александрович
dc.contributor.authorМаклашова, Ирина Владимировна
dc.date.accessioned2024-11-29T20:41:22Z
dc.date.available2024-11-29T20:41:22Z
dc.date.issued2021
dc.description.abstract© 2021 by the authors. Licensee MDPI, Basel, Switzerland.This paper presents the results of calculating the thermodynamic properties of aluminum, copper, and their binary alloys under isothermal and shock compression. The calculations were performed by a theoretical equation of state based on perturbation theory. The pair Morse potential was used to describe the intermolecular interaction in metals. The calculation results are in good agreement with the experimental data and the results of molecular dynamics modeling performed in this work using the LAMMPS software package. Furthermore, it is shown that the equation of state based on the perturbation theory with the corresponding potential of intermolecular interaction can be used to calculate the thermodynamic properties of gaseous (fluid) systems and pure metals and their binary alloys.
dc.identifier.citationBogdanova, Y. A. Calculation of thermodynamic properties of metals and their binary alloys by the perturbation theory / Bogdanova, Y.A., Gubin, S.A., Maklashova, I.V. // Metals. - 2021. - 11. - № 10. - 10.3390/met11101548
dc.identifier.doi10.3390/met11101548
dc.identifier.urihttps://www.doi.org/10.3390/met11101548
dc.identifier.urihttps://www.scopus.com/record/display.uri?eid=2-s2.0-85115783756&origin=resultslist
dc.identifier.urihttp://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=Alerting&SrcApp=Alerting&DestApp=WOS_CPL&DestLinkType=FullRecord&UT=WOS:000713063800001
dc.identifier.urihttps://openrepository.mephi.ru/handle/123456789/24723
dc.relation.ispartofMetals
dc.titleCalculation of thermodynamic properties of metals and their binary alloys by the perturbation theory
dc.typeArticle
dspace.entity.typePublication
oaire.citation.issue10
oaire.citation.volume11
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