PHASE-DIAGRAM AND ORIENTATIONAL ORDER IN A BIAXIAL LATTICE MODEL - A MONTE-CARLO STUDY
PHASE-DIAGRAM AND ORIENTATIONAL ORDER IN A BIAXIAL LATTICE MODEL - A MONTE-CARLO STUDY
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DOI：
10.1103/physrevlett.75.1803
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发表时间：
1995-08-28
影响因子：
8.6
通讯作者：
ZANNONI, C
中科院分区：
文献类型：
--
作者：
BISCARINI, F;CHICCOLI, C;ZANNONI, C
我们用蒙特卡罗方法对分子双轴性的一系列数值进行了模拟，确定了双轴粒子与二阶各向异性势相互作用的晶格系统的相图。我们发现，随着双轴性的增加，与平均场理论的差异越来越大。我们还首次计算了全套二阶双轴和单轴序参量及其与温度的关系，并在此基础上评论了用核磁共振测量相双轴度的困难。
We have determined the phase diagram for a lattice system of biaxial particles interacting with a second rank anisotropic potential using Monte Carlo simulations for a number of values of the molecular biaxiality. We find increasing differences from mean field theory as the biaxiality increases. We have also calculated for the first time the full set of second rank biaxial and uniaxial order parameters and their temperature dependence, and on this basis we comment on the difficulties of measuring phase biaxiality by NMR.