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Molecular dynamics (MD) simulations are performed to investigate how ∑3〈110〉(121) symmetric tilt grain boundary (GB) affects point defects and defect clusters in He-doped α-iron at 300K in picosecond time scales. Molecular statics calculations are also performed and show that the formation energy is reduced in the GB, and the GB acts as a good sink for point defects, especially for interstitial He...
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