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Chin. Phys. B, 2008, Vol. 17(9): 3343-3349    DOI: 10.1088/1674-1056/17/9/033
ATOMIC AND MOLECULAR PHYSICS Prev   Next  

Coalescence of heteroclusters Au767 and Ag767: a molecular-dynamics study

Li Guo-Jian(李国建), Wang Qiang(王强), Li Hu-Tian(李虎田), Wang Kai(王凯), and He Ji-Cheng(赫冀成)
Key Laboratory of Electromagnetic Processing of Materials (Ministry of Education), Northeastern University, Shenyang 110004, China
Abstract  This paper studies the coalescence of heteroclusters Au$_{767}$ and Ag$_{767}$ by using molecular dynamics with the embedded atom method, where layer atomic energy is employed to describe the potential energy variation of per atom in different layers along radial direction. The results show that the coalescence is driven by releasing the atomic energy of the coalesced zone. The deformation, which is induced by substitutional and vacancy diffusion during the coalescence, makes the coalesced cluster disorder. If the summation of the thermal energy and the released atomic energy is large enough to keep the disorder state, the clusters form a metastable liquid droplet; otherwise, the clusters coalesce into a solid cluster when the coalesced cluster reaches the equilibrium state, and the coalesced cluster experiences liquid to solid ordering changes during the coalescence of a solid Au$_{767}$ with a liquid Ag$_{767}$ and a liquid Au$_{767}$ with a liquid Ag$_{767}$. The centre of figure of the cluster system is shifted during the coalescence process, and higher coalescence temperature causes larger shift degree.
Keywords:  molecular dynamics      embedded atom method      heterocluster      coalescence  
Received:  03 January 2008      Revised:  06 March 2008      Accepted manuscript online: 
PACS:  64.70.D- (Solid-liquid transitions)  
  61.66.Bi (Elemental solids)  
Fund: Project supported by the National Natural Science Foundation of China (Grant No 50374027), the program for New Century Excellent Talents in University of China (Grant No NCET-06-0289), and the 111 project of China (Grant No B07015).

Cite this article: 

Li Guo-Jian(李国建), Wang Qiang(王强), Li Hu-Tian(李虎田), Wang Kai(王凯), and He Ji-Cheng(赫冀成) Coalescence of heteroclusters Au767 and Ag767: a molecular-dynamics study 2008 Chin. Phys. B 17 3343

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