Nonequilibrium molecular dynamics of liquid crystals

Autor:	Peter T. Cummings, Denis J. Evans, S. S. Sarman
Rok vydání:	1994
Předmět:	Condensed Matter::Soft Condensed Matter Physics::Fluid Dynamics Molecular dynamics Materials science Thermal conductivity Rheology Liquid crystal Isotropy Newtonian fluid Thermodynamics Condensed Matter Physics Anisotropy Transport phenomena
Zdroj:	International Journal of Thermophysics. 15:1125-1134
ISSN:	1572-9567 0195-928X
Popis:	During the last 15 years, noneyuilibrium molecular dynamics (NEMD) has been successfully applied to study transport phenomena in fluids that are isotropic at equilibrium. A natural extension is therefore to study liquid crystals, which are anisotropic al equilibrium. The lower symmetry of these systems means that the linear transport coefficients are considerably more complicated than in an isotropic system. Part of the reason for this is that there are crosscouplings between tensors of different rank and parity. Such couplings arc symmetry-forbidden in isotropic phases. In this paper. we review some of fundamental theoretical results we have derived concerning the rheology of liquid crystals. report NEMD simulations of thermal conductivity and shear viscosity of liquid crystals, and present NEMD simulations of shear cessation phenomena. All of the NEMD results are presented for a model liquid crystal fluid which is a modification of the Gay-Borne fluid. The results obtained are in qualitative agreement with experimental measurements on liquid crystal systems.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::1cf1ca41e6bceaa24e2d27132fd48a09 https://doi.org/10.1007/bf01458821 Zobrazit plný text záznamu Full text from SpringerLink