Molecular Dynamics Simulations of the Behavior of Small Interstitial Clusters in Copper
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概要
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Molecular dynamics (MD) simulations are carried out to study the behavior of small interstitial clusters in copper using a semi-empirical many-body potential of the embedded atom method (EAM). In this paper, a set of values of formation, binding and migration energy calculated for single, di-, tri-, tetra-, penta- and hexa-interstitial are reported. Their stable configurations and migration mechanisms are also presented. The results show that the small interstitial clusters have a significantly low migration energy and move in the form of one-dimensional crowdion migration, which indicates that they have a high mobility relative to the single interstitial. The results are also compared with available experimental investigations and previous interstitial calculations using pair potentials.
- 社団法人応用物理学会の論文
- 1997-12-15
著者
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Shimomura Y
Applied Physics And Chemistry Faculty Of Engineering Hiroshima University
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Shimomura Yoshiharu
Applied Physics And Chemistry Faculty Of Engineering Hiroshima University
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Zhao Ping
Applied Physics And Chemistry Faculty Of Engineering Hiroshima University
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