THE FORCE-BIASED ALGORITHM FOR THE IRREGULAR CLOSE PACKING OF EQUAL HARD SPHERES

被引：76

作者：

Moscinski, J. ^{[1
,2
]}

Bargiel, M. ^{[1
]}

Rycerz, Z. A. ^{[2
]}

Jacobs, P. W. M. ^{[2
]}

机构：

[1] AGH, Inst Comp Sci, PL-30059 Krakow, Poland

[2] Univ Western Ontario, London, ON N6A 5B7, Canada

来源：

MOLECULAR SIMULATION | 1989年 / 3卷 / 04期

关键词：

Irregular close packing; computer simulation; molecular dynamics methods;

D O I：

10.1080/08927028908031373

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：

We present a "force-biased" algorithm for generating the irregular close packing of hard spheres. The algorithm is partly based on Jodrey and Tory's ideas [9] and incorporates methods from Molecular Dynamics. Packings generated by means of the two algorithms are consistent up to final packing fraction of 0.65. which seems to be the limit density of Jodrey and Tory's method. Significantly higher densities (up to 0.71) can be achieved for small numbers of spheres by the force-biased algorithm. However the shape of the radial and angle distribution functions implies that a partial short-range ordering occurs in packings of those densities.

引用

页码：201 / 212

页数：12

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