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Melting in two-dimensional systems: Characterizing continuous and first-order transitions

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dc.contributor.authorToledano Sanz, Óscar
dc.contributor.authorPancorbo Castro, Manuel
dc.contributor.authorAlvarellos Bermejo, José Enrique
dc.contributor.authorGálvez González, Óscar
dc.date.accessioned2024-05-20T11:28:06Z
dc.date.available2024-05-20T11:28:06Z
dc.date.issued2022-03-16
dc.description.abstractThe mechanisms underlying the melting process in bidimensional systems have been widely studied by means of experiments, theory, and simulations since Kosterlitz, Thouless, Halperin, Nelson, and Young elaborated the KTHNY theory. In the framework of this theory, melting is produced by two continuous transitions mediated by the unbinding of local defects and the appearance of an intermediate phase between solid and liquid, called “hexatic.” There are also other competing theories that could explain this process, as, e.g., the formation of grain boundaries (lines of defects), which lead to a first-order transition. In this paper, simulations of systems interacting via the Lennard Jones 6–12 and Morse potentials using the Metropolis Monte Carlo method in the NVT ensemble have been performed to study the effect of the potential shape in the melting process. Additionally, truncated Morse potentials (with only a repulsive part) have been used to investigate the effect of the long-range interactions. Transitions from solid to hexatic phases were found to be continuous for all potentials studied, but transitions from hexatic to liquid phases were found to be either continuous or first order, depending on the thermodynamic conditions and the potential interaction selected, suggesting that melting can be triggered by different mechanisms, like grain boundary formation or defect unbinding. We find that the ratio of defects at the liquid-hexatic or liquid-coexistence phase transitions could determine the nature of these transitions and the mechanism underlying the melting process. The effect of the interaction of particles with their first- and second-nearest neighbors is also discussed.en
dc.description.versionversión publicada
dc.identifier.doihttp://doi.org/10.1103/PhysRevB.103.094107
dc.identifier.issn2469-9969
dc.identifier.urihttps://hdl.handle.net/20.500.14468/12051
dc.journal.titlePHYSICAL REVIEW B
dc.journal.volume103
dc.language.isoen
dc.publisherAmerican Physical Society
dc.relation.centerFacultad de Ciencias
dc.relation.departmentFísica Fundamental
dc.rightsinfo:eu-repo/semantics/openAccess
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/4.0
dc.titleMelting in two-dimensional systems: Characterizing continuous and first-order transitionses
dc.typejournal articleen
dc.typeartículoes
dspace.entity.typePublication
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relation.isAuthorOfPublication447e1a7d-3a88-4122-b406-562758871af7
relation.isAuthorOfPublication8055eba2-53bf-4727-9498-d67c67cd42d8
relation.isAuthorOfPublication8c553812-bd9e-4899-87cc-ad40e9bd8338
relation.isAuthorOfPublication.latestForDiscovery72b031b9-d091-4c35-b48f-b97c34b9d539
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