MONTE-CARLO SIMULATIONS OF HARD CYCLIC PENTAMERS IN 2 DIMENSIONS TRANSLATIONAL ROTATIONAL COUPLING IN THE ORIENTATIONALLY DISORDERED PHASE

被引：12

作者：

BRANKA, A

WOJCIECHOWSKI, KW

机构：

[1] Institute of Molecular Physics, Polish Academy of Sciences, Poznań, 60-179

来源：

MOLECULAR PHYSICS | 1993年 / 78卷 / 06期

关键词：

D O I：

10.1080/00268979300100991

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The orientationally disordered phase of the two-dimensional hard cyclic pentamer system has been studied by Monte Carlo simulations. Various structural quantities have been calculated at several densities. The singlet distribution function, studied in detail, reveals considerable coupling between translational and rotational molecular motions. The coupling, stronger at higher densities, is present also at lower densities, down to melting, and cannot be neglected in any structural analysis of the system. An orientational transition connected with a change observed in the translational-orientational coupling is suggested.

引用

页码：1513 / 1526

页数：14

共 19 条

[1] A CUBIC HARMONIC-ANALYSIS OF THE PLASTIC CRYSTAL-STRUCTURES OF ADAMANTANE, C10H16, AND ADAMANTANONE, C10H14O, AT ROOM-TEMPERATURE [J].