Configurational density of states and melting of simple solids

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dc.contributor.authorDavis, Sergio
dc.contributor.authorLoyola, Claudia
dc.contributor.authorPeralta, Joaquín
dc.date.accessioned2023-10-12T15:45:55Z
dc.date.available2023-10-12T15:45:55Z
dc.date.issued2023-11-01
dc.descriptionIndexación: Scopuses
dc.description.abstractWe analyze the behavior of the microcanonical and canonical caloric curves for a piecewise model of the configurational density of states of simple solids in the context of melting from the superheated state, as realized numerically in the Z-method via atomistic molecular dynamics. A first-order phase transition with metastable regions is reproduced by the model, being therefore useful to describe aspects of the melting transition. Within this model, transcendental equations connecting the superheating limit, the melting point, and the specific heat of each phase are presented and numerically solved. Our results suggest that the essential elements of the microcanonical Z curves can be extracted from simple modeling of the configurational density of states.es
dc.identifier.citationPhysica A: Statistical Mechanics and its Applications Volume 629 1 November 2023 Article number 129198es
dc.identifier.doi10.1016/j.physa.2023.129198en
dc.identifier.issn03784371
dc.identifier.urihttps://repositorio.unab.cl/xmlui/handle/ria/53447
dc.language.isoenes
dc.publisherElsevier B. V.es
dc.rights.licenseCC BY-NC-ND 4.0 DEED Atribución-NoComercial-SinDerivadas 4.0 Internacionalen
dc.rights.urihttps://creativecommons.org/licenses/by-nc-nd/4.0/deed.esen
dc.subjectDensity of stateses
dc.subjectMeltinges
dc.subjectMicrocanonicales
dc.subjectPhase Transitionses
dc.subjectSuperheatinges
dc.subjectZ methodes
dc.titleConfigurational density of states and melting of simple solidses
dc.typeArtículoes
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