Transition between a nano-sized prismatic dislocation loop and vacancy cluster in α-iron: An atomic scale study

Mugilgeethan VIJENDRAN,Ryosuke MATSUMOTO

COMPUTATIONAL MATERIALS SCIENCE（2023）

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摘要

•VC formed under a hydrogen environment can nucleate into PDL.•The high-speed vacancy transport from the PDL-VC transition.•PDLs can diffuse to a region near a TJGB or GB and transform to a VC.•VCs can accumulate, with high-density VCs forming in the vicinity of GBs/crack tips.

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关键词

Prismatic dislocation loop,Molecular statics simulations,Iron,Vacancies,Activation energy,Transition

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