作者: K. O. E. Henriksson , K. Nordlund , A. Krasheninnikov , J. Keinonen
DOI: 10.13182/FST06-A1219
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摘要: The role of self-trapping and defect trapping hydrogen helium implanted into tungsten has been investigated using density functional theory (DFT) calculations, molecular dynamics simulations, kinetic Monte Carlo simulations (KMCSs). potential energy curves or pairs were obtained by dynamics, the most essential stateswascheckedwithDFT.Underassumptionsofbubble formation due to similiar impurity atoms (self-trapping) defects, KMCSs carried out parameters from implantation experiments. results indicate that plays no (or a very small) in bubble formation, whereas bubbles form strong self-trapping.