Efficiently annihilating vacancies near grain boundaries via competitive diffusion of interstitials

来源 :1st International Conference on Computational Design and Sim | 被引量 : 0次 | 上传用户:yuhua1435
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  Grain boundaries (GBs) acting as defects sinks and defects annihilation catalysts determine the self-healing property of nano-crystal iron for radiation damage, which still remains poorly understood at different scales.By using combined techniques of molecular dynamics, molecular statics and object kinetic Monte Carlo, this self-repairing capacity is explored at atomistic and macroscopic time and length scales.
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