Tight-bindihg molecular-dynamics study of melting behaviour of small silicon clusters
文献类型：期刊论文
| 作者 | J. Wang ; S. Q. Wang |
| 刊名 | Acta Physica Sinica
 |
| 出版日期 | 2003 |
| 卷号 | 52期号:11页码:2854-2858 |
| 关键词 | tight-binding silicon clusters latent heat of fusion si clusters nanoparticles simulations |
| ISSN号 | 1000-3290 |
| 中文摘要 | The Tight-binding molecular-dynamics (TBMD) has been used, to study the melting behaviour of small silicon clusters Si-n (n = 5-10). We report the calculated results of the latent heat of fusion Deltamu(ls) and the melting temperature T-m as a function of cluster size. Deltamu(ls) and Tm exhibit a strong dependence on cluster size. The melting mechanisms of silicon clusters are distinguished from metal clusters. The melting of metal clusters can be described as a transition from a low-energy solid-like structure at low temperatures to a higher-energy liquid-like structure at high temperatures. At the transition temperature, metal clusters undergo a dynamics coexistence of the two states, while the silicon clusters undergo an intermediate state which is neither liquid-like structure nor solid-like structure. The melting points obtained by using different calculation methods and definitions also have been compared in this work. |
| 原文出处 | |
| 公开日期 | 2012-04-14 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/36046]  |
| 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 | J. Wang,S. Q. Wang. Tight-bindihg molecular-dynamics study of melting behaviour of small silicon clusters[J]. Acta Physica Sinica,2003,52(11):2854-2858. |
| APA | J. Wang,&S. Q. Wang.(2003).Tight-bindihg molecular-dynamics study of melting behaviour of small silicon clusters.Acta Physica Sinica,52(11),2854-2858. |
| MLA | J. Wang,et al."Tight-bindihg molecular-dynamics study of melting behaviour of small silicon clusters".Acta Physica Sinica 52.11(2003):2854-2858. |
入库方式： OAI收割
来源：金属研究所
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