Molecular dynamics simulation of structural characteristics in metal cluster deposition on surfaces

Wang, Y.X, Pan, Z.Y, Xu, Y, Huang, Z, Du, A.J., & Ho, Y.K (2002) Molecular dynamics simulation of structural characteristics in metal cluster deposition on surfaces. Surface and Coatings Technology, 158-159, pp. 263-268.

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The deposition of small metal clusters (Cu, Au and Al) on f.c.c. metals (Cu, Au and Ni) has been studied by molecular dynamics simulation using Finnis–Sinclair (FS) potential. The impact energy varied from 0.01 to 10 eV/atom. First, the deposition of single cluster was simulated. We observed that, even at much lower energy, a small cluster with (Ih) icosahedral symmetry was reconstructed to match the substrate structure (f.c.c.) after deposition. Next, clusters were modeled to drop, one after the other, on the surface. The nanostructure was found by soft landing of Au clusters on Cu with increasing coverage, where interfacial energy dominates. While at relatively higher deposition energy (a few eV), the ordered f.c.c.-like structure was observed in the first adlayer of the film formed by Al clusters depositing on Ni substrate. This characteristic is mainly attributive to the ballistic collision. Our results indicate that the surface morphology synthesized by cluster deposition could be controlled by experimental parameters, which will be helpful for controlled design of nanostructure.

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ID Code: 61171
Item Type: Journal Article
Refereed: Yes
Keywords: structure characteristic, molecular dynamics simulation, energetic metal cluster deposition, metal surface
DOI: 10.1016/S0257-8972(02)00283-9
ISSN: 0257-8972
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 04:27
Last Modified: 09 Jul 2013 04:27

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