A molecular dynamics study of the structural change differences between Au-225 and Au-369 clusters on MgO surfaces at low temperature

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	A molecular dynamics study of the structural change differences between Au-225 and Au-369 clusters on MgO surfaces at low temperature
	L. Zhang; S. Q. Wang; N. X. Chen
	2012
发表期刊	Chinese Physics B
ISSN	1674-1056
卷号	21 期号:3
摘要	The differences in structural change between Au-225 and Au-369 clusters with their (111) facets supported on MgO(100) surfaces at 5 K are studied by using molecular-dynamics simulations with the atomic interchange potentials of the Au/MgO interface. The parameters are obtained from the ab initio energies using the Chen-Mobius inversion method. Analyses of the pair distribution functions show that the two Au clusters use different deformation processes to adjust the distances between the interface atoms, owing to the misfit between the atom distances among the clusters and the substrates. The local structural changes are identified by atomic density profiles.
部门归属	[zhang lin] northeastern univ, coll sci, inst mat phys & chem, shenyang 110004, peoples r china. [wang shao-qing] chinese acad sci, inst met res, shenyang natl lab mat sci, shenyang 110016, peoples r china. [chen nan-xian] tsinghua univ, dept phys, beijing 100084, peoples r china.;zhang, l (reprint author), northeastern univ, coll sci, inst mat phys & chem, shenyang 110004, peoples r china.;zhanglin@imp.neu.edu.cn
关键词	Interfaces Nanostructures Computer Modelling And Simulation Molecular Dynamics Local-structure Changes Mgo(001) Surface Au Adsorption Cu Nanoclusters Dimers Models Ag
URL	查看原文
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/60444
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	L. Zhang,S. Q. Wang,N. X. Chen. A molecular dynamics study of the structural change differences between Au-225 and Au-369 clusters on MgO surfaces at low temperature[J]. Chinese Physics B,2012,21(3).
APA	L. Zhang,S. Q. Wang,&N. X. Chen.(2012).A molecular dynamics study of the structural change differences between Au-225 and Au-369 clusters on MgO surfaces at low temperature.Chinese Physics B,21(3).
MLA	L. Zhang,et al."A molecular dynamics study of the structural change differences between Au-225 and Au-369 clusters on MgO surfaces at low temperature".Chinese Physics B 21.3(2012).