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Grain boundary self-diffusion in Ni: Effect of boundary inclination

Published online by Cambridge University Press:  01 May 2005

Mikhail I. Mendelev ,
Hao Zhang  and
David J. Srolovitz
Mikhail I. Mendelev
Affiliation:
Department of Mechanical & Aerospace Engineering, Princeton University, Princeton, New Jersey 08540
Hao Zhang*
Affiliation:
Department of Mechanical & Aerospace Engineering, Princeton University, Princeton, New Jersey 08540
David J. Srolovitz
Affiliation:
Department of Mechanical & Aerospace Engineering, Princeton University, Princeton, New Jersey 08540
*
b) Address all correspondence to this author. e-mail: [email protected]
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Abstract

We examined the influence of the boundary plane on grain-boundary diffusion in Ni through a series of molecular dynamics simulations. A series of 〈010〉 ∑5 tilt boundaries, including several high symmetry and low symmetry boundary planes, were considered. The self-diffusion coefficient is a strong function of boundary inclination at low temperature but is almost independent of inclination at high temperature. At all temperatures, the self-diffusion coefficients are low when at least one of the two grains has a normal with low Miller indices. The grain boundary self-diffusion coefficient is an Arrhenius function of temperature. The logarithm of the pre-exponential factor in the Arrhenius expression was shown to be nearly proportional to the activation energy for diffusion. The activation energy for self-diffusion in a (103) symmetric tilt boundary is much higher than in boundaries with other inclinations. We discuss the origin of the boundary plane density–diffusion coefficient correlation.

Keywords

Computer simulationDiffusionGrain boundaries
Type
Articles
Information
Journal of Materials Research , Volume 20 , Issue 5 , May 2005 , pp. 1146 - 1153
Copyright
Copyright © Materials Research Society 2005

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References

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