Molecular dynamics study of ‘contact epitaxy’ in Ag clusters supported on a copper (001) surface
Wang, Y.X, Pan, Z.Y, Ho, Y.K, Huang, Z, Du, A.J., Wei, Q, & Xu, Y (2002) Molecular dynamics study of ‘contact epitaxy’ in Ag clusters supported on a copper (001) surface. Surface and Coatings Technology, 158-159, pp. 258-262.
In this paper, the formation of heteroepitaxial interfacial layers was investigated by molecular dynamics simulation of soft silver particles landing on the (001) surface of single-crystal copper. In our simulations, the clusters Ag13, Ag55, Ag147 and Ag688 were chosen as projectiles. A small cluster will rearrange into an f.c.c. structure when it is supported on the substrate, due to the large value of its surface/volume ratio. Contact epitaxy appeared in large clusters. The characteristic structure of an epitaxial layer in large silver cluster shows the 〈111〉 direction to be the preferential orientation of heteroepitaxial layers on the surface because of the lattice mismatch between the cluster and the substrate. This was confirmed by studying soft landing events in other systems (Au/Cu and Al/Ni).
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|Item Type:||Journal Article|
|Keywords:||modern dynamics simulation, contact epitaxy, Ag cluster, Cu surface|
|Divisions:||Current > Schools > School of Chemistry, Physics & Mechanical Engineering
Current > QUT Faculties and Divisions > Science & Engineering Faculty
|Copyright Owner:||Copyright 2002 Elsevier S.A.|
|Deposited On:||09 Jul 2013 04:35|
|Last Modified:||09 Jul 2013 04:35|
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