화학공학소재연구정보센터
Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals, Vol.352, 667-681, 2000
How to simulate anchoring: Confining the director
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.