Coalescence between Cu57 and Cu58 clusters at a room temperature: molecular dynamics simulations

doi:10.1088/1674-1056/19/7/073601

Abstract Three coalescence processes of Cu₅₇—Cu₅₇, Cu₅₇—Cu₅₈, and Cu₅₈—Cu₅₈ clusters at 300 K are investigated by employing molecular dynamics simulations. According to the evolutions of mean square displacement and local atom packing, the coalescence process can be separated into three stages including an approaching stage, a coalescing stage, and a coalesced stage. The simulations show that the coalescence processes and the formed products are sensitive to the respective initial structures of, and the relative configuration between, the two coalescing icosahedron—based clusters.

Keywords: cluster molecular dynamics computer simulation surface

Received: 08 July 2009
Accepted manuscript online:

PACS:	61.46.Bc	(Structure of clusters (e.g., metcars; not fragments of crystals; free or loosely aggregated or loosely attached to a substrate))
	61.66.Bi	(Elemental solids)
	68.35.Fx	(Diffusion; interface formation)

Fund: Project Supported by Special Foundation for State Major Basic Research Program of China (Grant No. G2006CB605103), the Scientific Research Foundation for the Returned Overseas Chinese Scholars, State Education Ministry, China and the Fundamental Research Funds for the Central University (Grant No. 90405001).

Cite this article:

Zhang Lin (张林), Li Wei (李蔚), Wang Shao-Qing (王绍青) Coalescence between Cu₅₇ and Cu₅₈ clusters at a room temperature: molecular dynamics simulations 2010 Chin. Phys. B 19 073601

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Coalescence between Cu57 and Cu58 clusters at a room temperature: molecular dynamics simulations

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Coalescence between Cu₅₇ and Cu₅₈ clusters at a room temperature: molecular dynamics simulations