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Artículo

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

Dos Santos Mendez, Gonzalo JoaquínIcon ; Cisternas, E.; Vogel, E. E.; Ramirez Pastor, Antonio JoseIcon
Fecha de publicación: 01/2023
Editorial: American Physical Society
Revista: Physical Review E
ISSN: 2470-0045
e-ISSN: 2470-0053
Idioma: Inglés
Tipo de recurso: Artículo publicado
Clasificación temática:
Otras Ciencias Físicas

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.
Palabras clave: MONTE CARLO , ADSORPTION , SELF-ASSEMBLY , PHASE TRANSITIONS , FINITE-SIZE SCALING , INFORMATION THEORY
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info:eu-repo/semantics/openAccess Excepto donde se diga explícitamente, este item se publica bajo la siguiente descripción: Creative Commons Attribution-NonCommercial-ShareAlike 2.5 Unported (CC BY-NC-SA 2.5)
Identificadores
URI: http://hdl.handle.net/11336/225348
DOI: http://dx.doi.org/10.1103/PhysRevE.107.014133
Colecciones
Articulos(CCT - MENDOZA)
Articulos de CTRO.CIENTIFICO TECNOL.CONICET - MENDOZA
Articulos(INFAP)
Articulos de INST. DE FISICA APLICADA "DR. JORGE ANDRES ZGRABLICH"
Citación
Dos Santos Mendez, Gonzalo Joaquín; Cisternas, E.; Vogel, E. E.; Ramirez Pastor, Antonio Jose; Orientational phase transition in monolayers of multipolar straight rigid rods: The case of 2-thiophene molecule adsorption on the Au(111) surface; American Physical Society; Physical Review E; 107; 1; 1-2023; 1-11
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