Y形分子系统相变的蒙特卡罗模拟-南京师范大学学报自然科学版.PDFVIP

33 3 () Vol. 33 No. 3 2010 9 JOURNAL OF NANJING NORMAL UNIVERSITY ( Natural Science Edition) Sept, 2010 Y形分子系统相变的蒙特卡罗模拟 骆文玲, 刘 红 (, 210097) [ ] Y , , . , . Landau( , ) , , . [ ] , , + [ ] 753 . 2 [ ] A [ ] 100 1-46 16( 20 10) 03-0026-06 M onte Carlo Simulation of Biaxial Phase Transitions in Y-ShapedM olecular System Luo W en ling, L iu Hong ( School of Ph sics and Technolog , Nanjing Norm alU niversit, N anjing 210097, Ch ina) Abstract: Monte C arle smi ulation is carried out to stud the phase behavior in Y - shaped liqu id cr stal m olecular s s- tem. The phase transitions from isotropic to un iax ial nem atic and from un iax ial nem atic to b iax ial nem atic phase are ob- tained, and the phase d iagram s in the plane ofm olecular interarm angle and temperature are given. The resu lt show s that the occurrence of b iax ial nem atic phase is closel related to the molecu lar b iax ialit . The relation between Landau point ( at wh ich s stem d irectl goes from isotrop ic to biax ial phase) tem perature and molecu lar structure param eters such as interarm angle, arm s. length ratio is ob tained from M onte C arlo s mi u lation and is compared w ith that from m ean field theor derivation. K ey words:M onte Carlo smi u lation, biax ial nem atics, phase transition [ 1] 1970, , Freiser , , . , Freiser, [ 2-4] [ 2 ] . 1980, Yu Saupe