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

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

中国物理B ›› 2010, Vol. 19 ›› Issue (7): 73601-073601.doi: 10.1088/1674-1056/19/7/073601

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

张林¹, 李蔚¹, 王绍青²

(1)Institute of Materials Physics and Chemistry, College of Science, Northeastern University, Shenyang 110004, China; (2)Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016, China

收稿日期:2009-07-08 出版日期:2010-07-15 发布日期:2010-07-15
基金资助:
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).

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

Zhang Lin (张林)^a, Li Wei (李蔚)^a, Wang Shao-Qing (王绍青)^b

^a Institute of Materials Physics and Chemistry, College of Science, Northeastern University, Shenyang 110004, China; ^b Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016, China

Received:2009-07-08 Online:2010-07-15 Published:2010-07-15
Supported by:
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).

摘要/Abstract

摘要： 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.

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.

Key words: cluster, molecular dynamics, computer simulation, surface

中图分类号: (Structure of clusters (e.g., metcars; not fragments of crystals; free or loosely aggregated or loosely attached to a substrate))

61.46.Bc

61.66.Bi (Elemental solids) 68.35.Fx (Diffusion; interface formation)

张林, 李蔚, 王绍青. Coalescence between Cu₅₇ and Cu₅₈ clusters at a room temperature: molecular dynamics simulations[J]. 中国物理B, 2010, 19(7): 73601-073601.

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[J]. Chin. Phys. B, 2010, 19(7): 73601-073601.

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

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

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