A molecular dynamics study of the structural change differences between Au-225 and Au-369 clusters on MgO surfaces at low temperature
文献类型：期刊论文
| 作者 | L. Zhang ; S. Q. Wang ; N. X. Chen |
| 刊名 | Chinese Physics B
 |
| 出版日期 | 2012 |
| 卷号 | 21期号:3 |
| 关键词 | interfaces nanostructures computer modelling and simulation molecular dynamics local-structure changes mgo(001) surface au adsorption cu nanoclusters dimers models ag |
| ISSN号 | 1674-1056 |
| 中文摘要 | 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. |
| 原文出处 | |
| 公开日期 | 2013-02-05 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/60444]  |
| 专题 | 金属研究所_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). |
入库方式： OAI收割
来源：金属研究所
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