Abstract
We present a method to manipulate the average direction of linear model molecules. In contrast to a hard constraint, we use a soft confinement potential linked to the director orientation. The method is applied to a mixture of Gay-Berne molecules at high density, where smectic demixing occurs. Other possible applications, such as the simulation of “easy directions” in anchoring and the evaluation of elastic coefficients, are discussed.
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More From: Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals
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