Three-dimensional rotational Langevin dynamics and the Lebwohl-Lasher model.
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.
Goze Bac
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Groupe de Dynamique des Phases Condensées, Université Montpellier II, Place Eugène Bataillon, 34095 Montpellier Cedex 5, France.
Paredes V
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Vásquez R
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Medina D
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Hasmy
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