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• W2000935229 abstract "The diffusion process of a single self-interstitial atom (SIA) in α-iron was studied by a hyper-molecular dynamics (hyper-MD) method that has been demonstrated to efficiently accelerate slow diffusive conformational transitions that occur in various materials. By adding a local bias potential, the acceleration of the dynamics becomes significantly higher at lower temperatures, e.g., on the order of 5 at 300 K, without changing the dynamics of the diffusion process as calculated using a conventional MD simulation. The validity of the results demonstrates that the hyper-MD method with an appropriate local bias potential can be applicable for determination of the diffusion process of SIAs in bulk materials." @default.
• W2000935229 created "2016-06-24" @default.
• W2000935229 creator A5008821878 @default.
• W2000935229 date "2013-06-01" @default.
• W2000935229 modified "2023-10-14" @default.
• W2000935229 title "Application of hyper-molecular dynamics to self-interstitial diffusion in α-iron" @default.
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• W2000935229 doi "https://doi.org/10.1016/j.commatsci.2013.03.013" @default.
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