RELATIVE STABILITY OF COLUMNAR AND CRYSTALLINE PHASES IN A SYSTEM OF PARALLEL HARD SPHEROCYLINDERS

被引:88
作者
VEERMAN, JAC
FRENKEL, D
机构
[1] Institute for Atomic and Molecular Physics, 1098 SJ Amsterdam
来源
PHYSICAL REVIEW A | 1991年 / 43卷 / 08期
关键词
D O I
10.1103/PhysRevA.43.4334
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
We report a computer-simulation study of the stability of the columnar phase in a system of parallel spherocylinders with aspect ratios L/D = 5 and infinity. It is found that the range of stability of the columnar phase is strongly dependent upon the system size. In particular, for particles with an aspect ratio L/D = 5, the columnar phase that is observed in small systems (N = 90) disappears for a system of N = 1080 particles. In its place, a simple hexagonal crystal ("AAA stacking") appears. On the basis of our present simulations, we cannot tell whether the latter phase is truly crystalline or possibly a smectic-B phase. For particles with an aspect ratio L/D = infinity, similar behavior is observed, although in this case a stable columnar "pocket" remains, even for the largest systems we studied. We have computed the locations of all phase transitions involving the new hexagonal phase.
引用
收藏
页码:4334 / 4343
页数:10
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