Ab initio study of foreign interstitial atom (C, N) interactions with intrinsic point defects in α -Fe

作者: C. Domain , C. S. Becquart , J. Foct

DOI: 10.1103/PHYSREVB.69.144112

关键词: Interstitial compoundCrystallographic defectInterstitial defectAb initioAtomCovalent bondMaterials scienceSolid solutionVacancy defectCrystallographyAtomic physics

摘要: … Finally we looked at the interactions of N or C atoms with self-interstitial atoms. Indeed, … interstitial atoms reduce the jump frequency of the self-interstitial atom by a factor of 4104 at 50C …

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