| Tight-bindihg molecular-dynamics study of melting behaviour of small silicon clusters | |
| J. Wang; S. Q. Wang | |
| 2003 | |
| Source Publication | Acta Physica Sinica
 |
| ISSN | 1000-3290 |
| Volume | 52Issue:11Pages:2854-2858 |
| Abstract | 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. |
| description.department | chinese acad sci, shenyang natl lab mat sci, met res inst, shenyang 110016, peoples r china.;wang, j (reprint author), chinese acad sci, shenyang natl lab mat sci, met res inst, shenyang 110016, peoples r china |
| Keyword | Tight-binding Silicon Clusters Latent Heat Of Fusion Si Clusters Nanoparticles Simulations |
| URL | 查看原文 |
| WOS ID | WOS:000186520100035 |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.imr.ac.cn/handle/321006/36046 |
| Collection | 中国科学院金属研究所 |
| Recommended Citation 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. |
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