Molecular-dynamics simulation of structural changes of a molten Cu555 cluster during freezing

被引：16

作者：

Xu, S. N. ^{[1
,2
]}

Zhang, L. ^{[1
]}

Qi, Y. ^{[1
]}

Zhang, C. B. ^{[1
]}

机构：

[1] Northeastern Univ, Coll Sci, Shenyang 110004, Peoples R China

[2] Shenyang Ligong Univ, Sch Sci, Shenyang 110168, Peoples R China

来源：

PHYSICA B-CONDENSED MATTER | 2010年 / 405卷 / 02期

基金：

中国国家自然科学基金;

关键词：

Cluster; Molecular dynamics; Computer simulation; Solidification; COPPER CLUSTERS; HIGH-RESOLUTION; GOLD PARTICLES; LIQUID; NANOCLUSTERS; CRYSTALS; METALS;

D O I：

10.1016/j.physb.2009.09.078

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

Structural changes upon freezing of a molten Cu-555 cluster have been studied using two different cooling ways by employing molecular-dynamics simulation. The simulation results show that the final structures and local structural change processes of the molten Cu-555 present different patterns in two cooling ways. When the Cu-555 cluster is quenched to T=400K, the final structure is based on an icosahedral geometry. In the second cooling way from T=1100 to 400 K at a decrement of 100 K, the final crystallization structure is mainly based on a faced center cubic (FCC) structure. (C) 2009 Elsevier B.V. All rights reserved.

引用

页码：632 / 637

页数：6

共 30 条

[1] STRUCTURE AND ORIENTATION OF CRYSTALS IN DEPOSITS OF METALS ON MICA [J].

ALLPRESS, JG ;

SANDERS, JV .

SURFACE SCIENCE, 1967, 7 (01) :1-&

[2] A truncated icosahedral structure observed in gold nanoparticles [J].

Ascencio, JA ;

Pérez, M ;

José-Yacamán, M .

SURFACE SCIENCE, 2000, 447 (1-3) :73-80

[3] Structural properties of nanoclusters: Energetic, thermodynamic, and kinetic effects [J].

Baletto, F ;

Ferrando, R .

REVIEWS OF MODERN PHYSICS, 2005, 77 (01) :371-423

[4] Crossover among structural motifs in transition and noble-metal clusters [J].

Baletto, F ;

Ferrando, R ;

Fortunelli, A ;

Montalenti, F ;

Mottet, C .

JOURNAL OF CHEMICAL PHYSICS, 2002, 116 (09) :3856-3863

[5] Melting and freezing of gold nanoclusters [J].

Chushak, YG ;

Bartell, LS .

JOURNAL OF PHYSICAL CHEMISTRY B, 2001, 105 (47) :11605-11614

[6] STRUCTURAL-CHANGES ACCOMPANYING DENSIFICATION OF RANDOM HARD-SPHERE PACKINGS [J].

CLARKE, AS ;

JONSSON, H .

PHYSICAL REVIEW E, 1993, 47 (06) :3975-3984

[7] MELTING OF SMALL GOLD PARTICLES - MECHANISM AND SIZE EFFECTS [J].

ERCOLESSI, F ;

ANDREONI, W ;

TOSATTI, E .

PHYSICAL REVIEW LETTERS, 1991, 66 (07) :911-914

[8] Structural and vibrational analysis of amorphous Au-55 clusters [J].

Garzon, IL ;

PosadaAmarillas, A .

PHYSICAL REVIEW B, 1996, 54 (16) :11796-11802

[9] MOLECULAR-DYNAMICS STUDY OF MELTING AND FREEZING OF SMALL LENNARD-JONES CLUSTERS [J].

HONEYCUTT, JD ;

ANDERSEN, HC .

JOURNAL OF PHYSICAL CHEMISTRY, 1987, 91 (19) :4950-4963

[10] Growth of nanostructures by cluster deposition: Experiments and simple models [J].

Jensen, P .

REVIEWS OF MODERN PHYSICS, 1999, 71 (05) :1695-1735

← 1 2 3 →