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

Toledano, Óscar, Pancorbo, M., Alvarellos, J. E. y Gálvez, Óscar . (2022) Melting in two-dimensional systems: Characterizing continuous and first-order transitions. PHYSICAL REVIEW B

Ficheros (Some files may be inaccessible until you login with your e-spacio credentials)
Nombre Descripción Tipo MIME Size
Alvarellos_Bermejo_Jose_E_MeltingTwo_dimension.pdf Alvarellos Bermejo_Jose E_MeltingTwo dimension.pdf application/pdf 2.74MB

Título Melting in two-dimensional systems: Characterizing continuous and first-order transitions
Autor(es) Toledano, Óscar
Pancorbo, M.
Alvarellos, J. E.
Gálvez, Óscar
Materia(s) Física
Abstract The 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.
Editor(es) American Physical Society
Fecha 2022-03-16
Formato application/pdf
Identificador bibliuned:DptoFF-FCIE-Articulos-Jealvarellos-0003
http://e-spacio.uned.es/fez/view/bibliuned:DptoFF-FCIE-Articulos-Jealvarellos-0003
DOI - identifier 10.1103/PhysRevB.103.094107
ISSN - identifier 2469-9969
Nombre de la revista PHYSICAL REVIEW B
Número de Volumen 103
Publicado en la Revista PHYSICAL REVIEW B
Idioma eng
Versión de la publicación publishedVersion
Tipo de recurso Article
Tipo de acceso Acceso abierto
Notas adicionales The registered version of this article, first published in PHYSICAL REVIEW B, is available online at the publisher's website: American Physical Society, 10.1103/PhysRevB.103.094107

Tipo de documento: Artículo de revista
Collections: Departamento de Física Fundamental (UNED). Artículos
Set de artículo
Set de openaire
 
Versiones
Versión Tipo de filtro
Contador de citas: Google Scholar Search Google Scholar
Estadísticas de acceso: 24 Visitas, 16 Descargas  -  Estadísticas en detalle
Creado: Wed, 31 Jan 2024, 21:26:24 CET