Three-dimensional rotational Langevin dynamics and the Lebwohl-Lasher model

Christophe Goze Bac; Carlos Vásquez; Ernesto Medina; Anwar Hasmy

doi:10.1103/PhysRevE.63.042701

Three-dimensional rotational Langevin dynamics and the Lebwohl-Lasher model

Christophe Goze Bac
, Carlos Vásquez
, Ernesto Medina
, Anwar Hasmy

CNRS)
Instituto Venezolano de Investigaciones Científicas

Research output: Contribution to journal › Article › peer-review

2 Scopus citations

Abstract

We introduce a new scheme for molecular-dynamics simulation of three-dimensional systems exhibiting rotational motions. The procedure is based on the Langevin dynamics method. Our paper is focused on the Lebwohl-Lasher model in order to simulate the isotropic-nematic transition of liquid crystals. In contrast to previous dynamic approximations, our approach allows one to reproduce well the isotropic phase of these systems.

Original language	English
Journal	Physical Review E - Statistical, Nonlinear, and Soft Matter Physics
Volume	63
Issue number	4
DOIs	https://doi.org/10.1103/PhysRevE.63.042701
State	Published - 2001
Externally published	Yes

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10.1103/PhysRevE.63.042701

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title = "Three-dimensional rotational Langevin dynamics and the Lebwohl-Lasher model",

abstract = "We introduce a new scheme for molecular-dynamics simulation of three-dimensional systems exhibiting rotational motions. The procedure is based on the Langevin dynamics method. Our paper is focused on the Lebwohl-Lasher model in order to simulate the isotropic-nematic transition of liquid crystals. In contrast to previous dynamic approximations, our approach allows one to reproduce well the isotropic phase of these systems.",

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year = "2001",

doi = "10.1103/PhysRevE.63.042701",

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journal = "Physical Review E - Statistical, Nonlinear, and Soft Matter Physics",

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T1 - Three-dimensional rotational Langevin dynamics and the Lebwohl-Lasher model

AU - Goze Bac, Christophe

AU - Vásquez, Carlos

AU - Medina, Ernesto

AU - Hasmy, Anwar

PY - 2001

Y1 - 2001

N2 - We introduce a new scheme for molecular-dynamics simulation of three-dimensional systems exhibiting rotational motions. The procedure is based on the Langevin dynamics method. Our paper is focused on the Lebwohl-Lasher model in order to simulate the isotropic-nematic transition of liquid crystals. In contrast to previous dynamic approximations, our approach allows one to reproduce well the isotropic phase of these systems.

AB - We introduce a new scheme for molecular-dynamics simulation of three-dimensional systems exhibiting rotational motions. The procedure is based on the Langevin dynamics method. Our paper is focused on the Lebwohl-Lasher model in order to simulate the isotropic-nematic transition of liquid crystals. In contrast to previous dynamic approximations, our approach allows one to reproduce well the isotropic phase of these systems.

UR - https://www.scopus.com/pages/publications/85035261539

U2 - 10.1103/PhysRevE.63.042701

DO - 10.1103/PhysRevE.63.042701

M3 - Artículo

AN - SCOPUS:85035261539

SN - 1063-651X

VL - 63

JO - Physical Review E - Statistical, Nonlinear, and Soft Matter Physics

JF - Physical Review E - Statistical, Nonlinear, and Soft Matter Physics

IS - 4

ER -

Three-dimensional rotational Langevin dynamics and the Lebwohl-Lasher model

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