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Bcc iron; Body-centered cubic; Defactant concept; First-principles calculation; Hexagonal close-packed; Ni diffusion; Vacancy concentration; Vacancy-carbon complexes, Calculations; Diffusion; Iron; Nickel, Carbon
Abstract:
Self-diffusion in face-centered cubic (fcc) iron and hexagonal close-packed cobalt as well as Ni diffusion in bcc iron and Co-diffusion in fcc nickel are all accelerated in the presence of dissolved carbon. This is attributed to an enlarged vacancy concentration due to an attractive vacancy-carbon interaction. The enlarged Ni diffusion in body-centered cubic (bcc) iron contradicts conclusions for self-diffusion in bcc iron obtained from first-principles calculations. This discrepancy is discussed in the present study. © 2013 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.