钨
氘
分子动力学
Crystal(编程语言)
气泡
化学物理
化学
焊剂(冶金)
时间演化
体积热力学
工作(物理)
原子物理学
材料科学
热力学
机械
物理
冶金
计算化学
量子力学
程序设计语言
计算机科学
作者
Yuan Xiang,Bin Zhang,Liqun Shi
标识
DOI:10.1016/j.apsusc.2022.154715
摘要
Using molecular dynamics simulations, the Tersoff-potential was used to investigate the evolution of deuterium (D) bubbles in tungsten (W). This work documents the entire evolution process of D bubbles: formation, growth and burst. The effects of flux, temperature and incident energy of D on the evolution and position of D bubbles were discussed. Temperature and flux together affect the time required for D bubble formation, and energy has a significant effect on depth. At 300 K, single-crystal tungsten surfaces (0 0 1), (1 1 0), (1 1 1), and (1 1 2) were bombarded by D atoms with 80 eV energy and 6.24 × 1028 m−2s−1 flux. Although all D bubbles go through three stages, the pressure, volume, and the ratio of (D in D2)/D inside bubbles can tell the difference between the four surfaces. Under the same simulation conditions, the evolution of D bubbles under a surface with a higher crystal face density was found to be harder.
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