Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
10644554 | Computational Materials Science | 2008 | 5 Pages |
Abstract
In this paper, we report results of non-Boltzmann Monte Carlo simulation of a cubic lattice model of a liquid crystal elastomer. A pseudo-Hamiltonian proposed recently forms the basis of our simulation. We have employed Frontier sampling in conjunction with Wang-Landau algorithm which helps sample the microstate space in such a way that all energy regions are visited with equal probability. We investigate the interplay between the nematic and elastic degrees of freedom. We find that with increase of cross-link density of the polymer chains, the nematic-isotropic transition becomes weaker.
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Computational Mechanics
Authors
D. Jayasri, V.S.S. Sastry, K.P.N. Murthy,