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Molecular Dynamics Simulations on Melting Properties of Free Icosahedral Copper Clusters

Authors
JeongWonKangHoJungHwang
Issue Date
2003
Publisher
한국전기전자재료학회
Keywords
Icosahedron cluster; Melting properties; Molecular dynamics simulation
Citation
Transactions on Electrical and Electronic Materials, v.4, no.1, pp 1 - 6
Pages
6
Journal Title
Transactions on Electrical and Electronic Materials
Volume
4
Number
1
Start Page
1
End Page
6
URI
https://scholarworks.bwise.kr/cau/handle/2019.sw.cau/47172
ISSN
1229-7607
2092-7592
Abstract
We have studied the size confinement effect on the properties of melting-like transition of small icosahedral copper clusters using a classical molecular dynamics simulation based on a well fitted empirical potential. We investigated the caloric curves of icosahedron nanoclusters and the significant depression in the melting temperatures of the copper nanoclusters was compared with that of the bulk copper. A structural transitions from decahedral to icosahedral shapes were shown. As the cluster size increased, the melting temperature increased, and the latent heat increased but seem to be saturated. However, the specific heat was unrelated to the cluster size.
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