STRUCTURAL-PROPERTIES OF (SF6)(13) AND (SF6)(55) CLUSTERS BY MOLECULAR-DYNAMICS SIMULATION

被引：3

作者：

BENIERE, FM ^{[1
]}

BOUTIN, A ^{[1
]}

TRACHE, M ^{[1
]}

FUCHS, AH ^{[1
]}

机构：

[1] UNIV BUCHAREST,FAC PHYS,DEPT THEORET PHYS,R-5211 BUCHAREST,ROMANIA

来源：

CHEMICAL PHYSICS LETTERS | 1993年 / 215卷 / 04期

关键词：

D O I：

10.1016/0009-2614(93)85718-4

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：

Isolated (SF6)55 clusters, as studied by computer simulation, exhibit a phase behavior which is essentially similar to the bulk material. Conversely, the molecular packing of (SF6)(13) is close-to-icosahedral. No sign of a transition with coexistence of rigid and non-rigid states was found in (SF6)(13). We conclude that polyatomic van der Waals systems may exhibit quite different phase behaviors than the more commonly studied atomic ones.

引用

页码：301 / 305

页数：5

共 27 条

[1] RARE-GAS CLUSTERS - SOLIDS, LIQUIDS, SLUSH, AND MAGIC NUMBERS [J].

BECK, TL ;

JELLINEK, J ;

BERRY, RS .

JOURNAL OF CHEMICAL PHYSICS, 1987, 87 (01) :545-554

[2]

BENIERE F, UNPUB

[3]

BENIERE FM, 1992, NATO ADV SCI I C-MAT, V374, P363

[4]

BENIERE FM, 1993, IN PRESS J PHYS CHEM

[5]

BERRY RS, 1992, NATO ADV SCI I C-MAT, V374, P277

[6]

BOUTIN A, UNPUB MOL PHYS

[7]

BOUTIN A, UNPUB J CHEM PHYS

[8] MOLECULAR-DYNAMICS OF CLUSTERS OF PARTICLES INTERACTING WITH PAIRWISE FORCES USING A MASSIVELY PARALLEL COMPUTER [J].

BOYER, LL ;

PAWLEY, GS .

JOURNAL OF COMPUTATIONAL PHYSICS, 1988, 78 (02) :405-423

[9] AN ANALYSIS OF CRYSTALLIZATION BY HOMOGENEOUS NUCLEATION IN A 4000-ATOM SOFT-SPHERE MODEL [J].

CAPE, JN ;

FINNEY, JL ;

WOODCOCK, LV .

JOURNAL OF CHEMICAL PHYSICS, 1981, 75 (05) :2366-2373

[10] SOLID-LIKE AND LIQUID-LIKE BEHAVIOR IN SMALL BENZENE CLUSTERS - A MOLECULAR-DYNAMICS SIMULATION OF (C6H6)4 [J].

DELMISTRO, G ;

STACE, AJ .

CHEMICAL PHYSICS LETTERS, 1990, 171 (04) :381-384

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