Y形分子系统相变的蒙特卡罗模拟  

Monte Carlo Simulation of Biaxial Phase Transitions in Y-Shaped Molecular System

作　　者：骆文玲[1] 刘红[1] 

机构地区：[1]南京师范大学物理科学与技术学院,江苏南京210097

出　　处：《南京师大学报（自然科学版）》2010年第3期26-31,共6页Journal of Nanjing Normal University(Natural Science Edition)

基　　金：江苏省普通高校自然科学研究项目(07JKD140095)

摘　　要：运用蒙特卡罗方法模拟Y形液晶分子系统的相变,得到从各向同性相至单轴向列相、单轴向列相至双轴向列相的相变,并给出在分子夹角与温度关系平面内的相图.结果表明,双轴向列相的产生与分子的双轴性有关.由蒙特卡罗模拟得到了Landau点(在该点,系统直接从各向同性相进入双轴相)温度与分子结构参数,如夹角、棒长之间的关系,并将其与平均场理论得到的结果进行比较.Monte Carle simulation is carried out to study the phase behavior in Y-shaped liquid crystal molecular system.The phase transitions from isotropic to uniaxial nematic and from uniaxial nematic to biaxial nematic phase are obtained,and the phase diagrams in the plane of molecular interarm angle and temperature are given.The result shows that the occurrence of biaxial nematic phase is closely related to the molecular biaxiality.The relation between Landau point（at which system directly goes from isotropic to biaxial phase） temperature and molecular structure parameters such as interarm angle,arms＇ length ratio is obtained from Monte Carlo simulation and is compared with that from mean field theory derivation.

关 键 词：蒙特卡罗模拟 双轴向列相 相变 

分 类 号：O242.2[理学—计算数学]