Repositorio UFRO · Omeka S

Orientational phase transition in monolayers of multipolar straight rigid rods: The case of 2-thiophene molecule adsorption on the Au(111) surface

Primer Autor	dos Santos, G.
Co-autores	Cisternas, E. Vogel, E. E. Ramirez-Pastor, A. J.
Título	Orientational phase transition in monolayers of multipolar straight rigid rods: The case of 2-thiophene molecule adsorption on the Au(111) surface
Editorial	AMER PHYSICAL SOC
Revista	PHYSICAL REVIEW E
Lenguaje	en
Resumen	Monte Carlo simulations and finite-size scaling theory have been carried out to study the critical behavior and universality for the isotropic-nematic (IN) phase transition in a system of straight rigid pentamers adsorbed on a triangular lattice with polarized nonhomogeneous intermolecular interactions. The model was inspired by the deposition of 2-thiophene molecules over the Au(111) surface, which was previously characterized by experimental techniques and density functional theory. A nematic phase, observed experimentally by the formation of a self-assembled monolayer of parallel molecules, is separated from the isotropic state by a continuous transition occurring at a finite density. The precise determination of the critical exponents indicates that the transition belongs to the three-state Potts universality class. The finite-size scaling analysis includes the study of mutability and diversity. These two quantities are derived from information theory and they have not previously been considered as part of the conventional treatment of critical phenomena for the determination of critical exponents. The results obtained here contribute to the understanding of formation processes of self-assembled monolayers, phase transitions, and critical phenomena from novel compression algorithms for studying mutual information in sequences of data.
Fecha Publicación	2023
Tipo de Recurso	artículo original
doi	10.1103/PhysRevE.107.014133
Formato Recurso	PDF
Palabras Claves	adsorption phase transistions Monte Carlo methods Information theory Phase transitions Finite-size scaling
Ubicación del archivo	http://dx.doi.org/10.1103/PhysRevE.107.014133
Categoría OCDE	Física
Materias	adsorción transiciones de fase métodos de Montecarlo Teoría de la información Transiciones de fase Escalado de tamaño finito
Identificador del recurso (Mandatado-único)	artículo original
Versión del recurso (Recomendado-único)	versión publicada
Derechos de acceso	metadata
Access Rights	metadata
Id de Web of Science	WOS:000926458500006
ISSN	2470-0045
Tipo de ruta	verde
Categoría WOS	Física
Referencia del Financiador (Mandatado si es aplicable-repetible)	CONICET PIP 112-201101-00615 UNSL 03-1920 ANID 1180001 ANID-FONDECYT 1190036 CONICET PIP 112-201101-00615 ANID FONDECYT 1190036