Open AccessMolecular dynamics study on the energy characteristic of copper nanoclusters at room temperature and during heating
Author(s) -
Yang Quan-Wen,
Rui Zhu,
Wen Yu-Hua
Publication year - 2005
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.54.89
Subject(s) - nanoclusters , copper , materials science , molecular dynamics , cluster (spacecraft) , surface (topology) , chemical physics , atomic physics , energy (signal processing) , molecular physics , nanotechnology , physics , computational chemistry , chemistry , metallurgy , quantum mechanics , geometry , mathematics , computer science , programming language
Molecular dynamic method and Finnis Sinclair potential are used to study the e nergy characteristic of copper nanoclusters at room temperature and its changes during heating, by which we get the surface thickness and surface energy in diff erent cluster sizes at room temperature and get the probability density of energ y distribution of the copper nanoclusters at different temperatures. The differe nce of the energy characteristic during heating between the inner atoms and the surface atoms is given in detail.