Melting of Cu Nanowires: A Study Using Molecular Dynamics Simulation
发布时间：2025-04-30
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- 发布时间：
- 2025-04-30
- 论文名称：
- Melting of Cu Nanowires: A Study Using Molecular Dynamics Simulation
- 发表刊物：
- J. Phys. Chem. C
- 摘要：
- The melting behaviors and transport properties of Cu nanowires (NWs) are studied for the future application as interconnects in microelectronics by using first-principles molecular dynamics (FP-MD) and classical molecular dynamics (MD) methods. The results of the potential energy, Cp(T), the quantum conduction, and the density of states are used to monitor the phase transition. It is found that the melting temperature using the MD method is 10% higher than that using the FP-MD method, and the corresponding FP-MD results of Cu NWs are predicted with the diameter of 2−6 nm. Meanwhile, the size effects of the nanowires on the melting temperature are validated by the theoretical model.
- 合写作者：
- W. X. Zhang and C. He
- 卷号：
- 114 (19)
- 页面范围：
- 8717–8720
- 是否译文：
- 否
- 发表时间：
- 2010-05-20