Diffusion of carbon in bcc Fe in the presence of Si
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Abstract
The interaction of interstitial carbon with substitutional silicon and the effect of this interaction on the diffusion of carbon within body-centered-cubic iron, are computed using electronic density-functional theory. Both the activation energy for diffusion and the diffusion prefactor are predicted. Good agreement is found for those cases where a comparison with experimental data is possible.
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Simonovic_2010.pdf
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Simonovic_2010_erratum.pdf
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