Molecular Dynamics study on the energy characteristic of copper nanoclusters at room temperature and during heating

被引：16

作者：

Yang, QW ^{[1
]}

Zhu, RZ

Wen, YH

机构：

[1] Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100080, Peoples R China

[2] Xiamen Univ, Dept Phys, Xiamen 361005, Peoples R China

来源：

ACTA PHYSICA SINICA | 2005年 / 54卷 / 01期

关键词：

copper nanoclusters; molecular dynamics; energy characteristic; temperature;

D O I：

10.7498/aps.54.89

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Molecular dynamic method and Finnis Sinclair potential are used to study the energy characteristic of copper nanoclusters at room temperature and its changes during heating, by which we get the surface thickness and surface energy in different cluster sizes at room temperature and get the probability density of, energy distribution of the copper nanoclusters at different temperatures. The difference of the energy characteristic during heating between the inner atoms and the surface atoms is given in detail.

引用

页码：89 / 95

页数：7

共 20 条

[1] MANY-BODY POTENTIALS AND ATOMIC-SCALE RELAXATIONS IN NOBLE-METAL ALLOYS [J].

ACKLAND, GJ ;

VITEK, V .

PHYSICAL REVIEW B, 1990, 41 (15) :10324-10333

[2] SIMPLE N-BODY POTENTIALS FOR THE NOBLE-METALS AND NICKEL [J].

ACKLAND, GJ ;

TICHY, G ;

VITEK, V ;

FINNIS, MW .

PHILOSOPHICAL MAGAZINE A-PHYSICS OF CONDENSED MATTER STRUCTURE DEFECTS AND MECHANICAL PROPERTIES, 1987, 56 (06) :735-756

[3]

Allen M. P., 2009, Computer Simulation of Liquids

[4] MOLECULAR-DYNAMICS WITH COUPLING TO AN EXTERNAL BATH [J].

BERENDSEN, HJC ;

POSTMA, JPM ;

VANGUNSTEREN, WF ;

DINOLA, A ;

HAAK, JR .

JOURNAL OF CHEMICAL PHYSICS, 1984, 81 (08) :3684-3690

[5] SURFACE MELTING OF CLUSTERS AND IMPLICATIONS FOR BULK MATTER [J].

CHENG, HP ;

BERRY, RS .

PHYSICAL REVIEW A, 1992, 45 (11) :7969-7980

[6] Geometrical and electronic structures of vanadium clusters, and their evolution from molecular to bulk phase [J].

Ding, CG ;

Yang, JL ;

Li, QX .

ACTA PHYSICA SINICA, 2001, 50 (10) :1907-1913

[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] A SIMPLE EMPIRICAL N-BODY POTENTIAL FOR TRANSITION-METALS [J].

FINNIS, MW ;

SINCLAIR, JE .

PHILOSOPHICAL MAGAZINE A-PHYSICS OF CONDENSED MATTER STRUCTURE DEFECTS AND MECHANICAL PROPERTIES, 1984, 50 (01) :45-55

[9]

FOILES SM, 1986, PHYS REV B, V33, P7983, DOI 10.1103/PhysRevB.33.7983

[10] Melting of Pb clusters without free surfaces [J].

Jin, ZH ;

Sheng, HW ;

Lu, K .

PHYSICAL REVIEW B, 1999, 60 (01) :141-149

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