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Monte Carlo Simulation of Nematic Droplets with Modified Gruhn-Hess Pair Potential
ZHANG Yanjun, WANG Chao, YE Wenjiang, ZHANG Zhidong
CHINESE JOURNAL OF COMPUTATIONAL PHYSICS    2013, 30 (2): 244-250.  
Abstract340)      PDF (370KB)(1019)      
Nematic droplets are studied with Monte Carlo simulations with a modified Gruhn-Hess pair potential. The potential is spatially anisotropic and potential parameters are related to elastic constants K11 ,K22 ,K33 and surface-like elastic constant K13. It is assumed that nematic droplet surface is a free surface. Second order parameters and introrse intensity, which describes quantitatively intrinsic anchoring induced by surface at low temperatures, are calculated with a modified Gruhn-Hess pair potential and are compared with those in Gruhn-Hess model I. It is shown that the modified model with K13 induces intrinsic anchoring near droplet surface, orientation and intrinsic anchoring strength depend strongly on K13, and introrse intensity is related to K33/K11. Order degree of nematic droplet is lower from inner shell to outer shell due to incomplete anisotropic nematic-nematic interactions.
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Monte Carlo Simulation of Nematic Droplets with Spatially Anisotropic Pair Potential
ZHANG Yanjun, ZHANG Zhidong, Zhu Lizhi
CHINESE JOURNAL OF COMPUTATIONAL PHYSICS    2008, 25 (3): 315-322.  
Abstract323)      PDF (440KB)(1101)      
Nematic droplets are studied with Monte Carlo simulation in a spatially anisotropic molecular pair potential model. The potential is based on a lattice model and dependent on elastic constants of liquid crystals. We assume that nematic droplet surface is a free surface and introduce tangent-introrse intensity to quantitatively describe intrinsic anchoring induced by surface. The tangent-introrse intensity and the second order parameters in different regions of droplets at low temperature are calculated by two schemes with spatially anisotropic potential and are compared with those in Lebwohl-Lasher model. Only one scheme can give intrinsic easy axis near droplets surface and introrse intensity is related to K33/K11. The degree of nematic order in the vicinity of droplet surface becomes lower from inner shell to outer shell due to incomplete anisotropic nematic-nematic interactions.
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