Beyond Bulk Gay-Berne fluids: An outlook on mesogenic mixtures with molecular dynamics simulations



Título del documento: Beyond Bulk Gay-Berne fluids: An outlook on mesogenic mixtures with molecular dynamics simulations
Revista: Revista mexicana de física
Base de datos: PERIÓDICA
Número de sistema: 000454066
ISSN: 0035-001X
Autores: 1
2
1
Instituciones: 1Universidad Autónoma Metropolitana, Departamento de Física, Iztapalapa, Ciudad de México. México
2Delaware Valley University, Department of Chemistry, Doylestown, Pensilvania. Estados Unidos de América
Año:
Periodo: Sep-Oct
Volumen: 68
Número: 5
País: México
Idioma: Inglés
Tipo de documento: Artículo
Enfoque: Analítico, teórico
Resumen en inglés In this review, we focus on heterogeneous, thermotropic liquid crystal (LC) mixtures our group has studied with molecular dynamics (MD) simulations. Systems considered include: (1) binary LC mixtures, (2) colloidal inclusions in a mesogenic solvent, and (3) confined mesogenic samples. An extension of the Gay-Berne model is provided to treat the mixtures investigated. Our findings are contextualized to calamitic and discotic LC systems. Structural properties of the mesogenic solvent are probed using the Maier-Saupe (nematic) order parameter. Representative snapshots from MD simulations are used to corroborate phase phenomenology. Topological defects are treated in the presence of colloidal inclusions and in confined samples. The effect of solvent flow on the behavior of topological defects is also assessed. These LC mixtures are of interest in the area of applied materials: aside from their rich mesophase behavior, these systems provide a promising platform for molecular self-assembly and organization
Disciplinas: Física y astronomía
Palabras clave: Mecánica, elasticidad y reología,
Cristal líquido,
Dinámica molecular,
Maier-Saupe
Keyword: Mechanics, elasticity and rheology,
Liquid crystal,
Molecular dynamics,
Maier-Saupe
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