Molecular dynamics study for structural stability of the interface at elevated temperatures
文献类型：期刊论文
| 作者 | S. J. Zhao ; S. Q. Wang ; H. Q. Ye |
| 刊名 | Surface and Interface Analysis
 |
| 出版日期 | 2001 |
| 卷号 | 32期号:1页码:271-274 |
| 关键词 | interface molecular dynamics cluster order-disorder effects phase transitions boundary melting transition grain-boundary simulation model |
| ISSN号 | 0142-2421 |
| 中文摘要 | The high-temperature structure of the Sigma = 5 bicrystalline interface of B2 NiAl with a large boundary plane is investigated by molecular dynamics simulations on parallel computers. It is observed that the atoms in the grain boundary region tend to form clusters in a thermal structural disorder transition, which is initiated at a temperature well below the thermodynamic melting point T-m (similar to0.52 T-m). The number and size of the clusters are monitored over a wide temperature range including T-m. Below T-m, the number and size of the clusters increase continuously with increasing temperature. When the temperature is up to T-m, the abrupt growth of the clusters induces melting. Once above Tm, the number and size of the clusters decrease significantly upon raising the temperature. The calculations of the potential energy also indicate that the thermal disorder transition is a continuous process, in contrast to the first-order melting transformation. Copyright (C) 2001 John Wiley & Sons, Ltd. |
| 原文出处 | |
| 公开日期 | 2012-04-14 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/36932]  |
| 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 | S. J. Zhao,S. Q. Wang,H. Q. Ye. Molecular dynamics study for structural stability of the interface at elevated temperatures[J]. Surface and Interface Analysis,2001,32(1):271-274. |
| APA | S. J. Zhao,S. Q. Wang,&H. Q. Ye.(2001).Molecular dynamics study for structural stability of the interface at elevated temperatures.Surface and Interface Analysis,32(1),271-274. |
| MLA | S. J. Zhao,et al."Molecular dynamics study for structural stability of the interface at elevated temperatures".Surface and Interface Analysis 32.1(2001):271-274. |
入库方式： OAI收割
来源：金属研究所
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