Effects of temperature and surface orientation on migration behaviours of helium atoms near tungsten surfaces
作者： Xiaoshuang Wang , Zhangwen Wu , Qing Hou
DOI: 10.1016/J.JNUCMAT.2015.06.011
关键词: Atom 、 Type (model theory) 、 Helium 、 Surface (mathematics) 、 Diffusion 、 Molecular dynamics 、 Atomic physics 、 Chemistry 、 Orientation (vector space) 、 Tungsten
摘要: Abstract Molecular dynamics simulations were performed to study the dependence of migration behaviours single helium atoms near tungsten surfaces on surface orientation and temperature. For W{100} W{110} surfaces, He can quickly escape out without accumulation even at a temperature 400 K. The be well-described by theory continuous diffusion particles in semi-infinite medium. W{111} surface, situation is complex. Different types trap mutations occur within neighbouring region surface. hinder atoms, resulting their accumulation. probability atom escaping into vacuum from mutation depends type mutation, occurrence probabilities different are dependent This finding suggests that rate does not show monotonic instance, T = 1500 K lower than = 1100 K. Our results useful for understanding structural evolution release designing models other simulation methods beyond molecular dynamics.
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