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| 铜固液两相共存系统的分子动力学模拟 | |
| 引用本文： | 谢林华,朱世富,祝文军.铜固液两相共存系统的分子动力学模拟[J].四川大学学报(自然科学版),2008,45(3):623-627. |
| 作者姓名： | 谢林华 朱世富 祝文军 |
| 作者单位： | 1. 四川大学材料科学与工程学院,成都,610064;四川师范大学物理系,成都,610066 2. 四川大学材料科学与工程学院,成都,610064 3. 中国工程物理研究院流体物理研究所,绵阳,621900 |
| 基金项目： | 四川省教育厅科研基金青年项目（2006B036） |
| 摘 要： | 基于Mishin势函数，用分子动力学方法模拟了金属铜的固液两相共存系统.在熔化过程中固液界面逐层推进，由collision-limited理论确定到零压下（001）表面熔点为1392.9±9.2 K，动力学系数为82.3 cm·s-1·K-1. |
| 关 键 词： | 分子动力学 热力学熔点 嵌入原子势 |
| 修稿时间： | 6/8/2007 12:00:00 AM |
Molecular dynamics simulation of the solid Liquid coexistence system for copper |
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| XIE Lin-Hua,ZHU Shi-Fu,ZHU Wen-Jun.Molecular dynamics simulation of the solid Liquid coexistence system for copper[J].Journal of Sichuan University (Natural Science Edition),2008,45(3):623-627. | |
| Authors: | XIE Lin-Hua ZHU Shi-Fu ZHU Wen-Jun |
| Institution: | College of Material Science and Engineering, Sichuan University;Department of Physics, Sichuan Normal University;College of Material Science and Engineering, Sichuan University;Institute of Fluid Physics, China Academy of Engineering Physics |
| Abstract: | Based on the embedded atom potential proposed by Mishin, we simulated a solid/liquid coexistence system with 1500 copper atoms by molecular dynamics method. During the process of melting, the solid/liquid interface moves forward layer by layer into the solid phase. According to the collision-limited theory, we obtain the melting temperature of the (001) surface at zero pressure is 1392.9±9.2 K, and the kinetic coefficient is 82.3 cm·s-1·K-1. |
| Keywords: | molecular dynamics thermodynamic melting point embedded atom potential |
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