Multiscale modeling of single vacancy state
文献类型：期刊论文
| 作者 | L. B. Zheng ; C. Y. Wang |
| 刊名 | Acta Physica Sinica
 |
| 出版日期 | 2005 |
| 卷号 | 54期号:11页码:5274-5280 |
| 关键词 | multiscale hybrid algorithm unified dynamics electron state atomic displacement density-functional theory molecular-dynamics length scales electronic-structure simulation metals systems coefficients potentials continuum |
| ISSN号 | 1000-3290 |
| 中文摘要 | Based on multiscale concurrent algorithm, we have implemented a unified dynamics scheme and investigated displacement distribution, oscillation behavior, energy fluctuation, charge density difference and the effect of environment of single vacancy system. The displacement distribution and the related behavior reflect the quantum effect of single vacancy. At the same time, the calculations of the total energy and charge density difference revealed the effect of environment and indicated the coupling between the classical and quantum effects. |
| 原文出处 | |
| 公开日期 | 2012-04-14 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/35277]  |
| 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. B. Zheng,C. Y. Wang. Multiscale modeling of single vacancy state[J]. Acta Physica Sinica,2005,54(11):5274-5280. |
| APA | L. B. Zheng,&C. Y. Wang.(2005).Multiscale modeling of single vacancy state.Acta Physica Sinica,54(11),5274-5280. |
| MLA | L. B. Zheng,et al."Multiscale modeling of single vacancy state".Acta Physica Sinica 54.11(2005):5274-5280. |
入库方式： OAI收割
来源：金属研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。