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.
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| Título |
Orientational phase transition in monolayers of multipolar straight rigid rods: The case of 2-thiophene molecule adsorption on the Au(111) surface
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| Editorial |
AMER PHYSICAL SOC
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| Revista |
PHYSICAL REVIEW E
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| Lenguaje |
en
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| 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
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| Tipo de Recurso |
artículo original
|
| doi |
10.1103/PhysRevE.107.014133
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| Formato Recurso |
PDF
|
| Palabras Claves |
adsorption
phase transistions
Monte Carlo methods
Information theory
Phase transitions
Finite-size scaling
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| Ubicación del archivo | |
| Categoría OCDE |
Física
|
| Materias |
adsorción
transiciones de fase
métodos de Montecarlo
Teoría de la información
Transiciones de fase
Escalado de tamaño finito
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| 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
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| ISSN |
2470-0045
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| Tipo de ruta |
verde
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| Categoría WOS |
Física
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| 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
|
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