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Theoretical aspects of solute segregation to high-angle grain boundaries

✍ Scribed by J. O. Vasseur; P. A. Deymier; B. Djafari-Rouhani; L. Dobrzynski

Publisher: Springer
Year: 1993
Tongue: English
Weight: 814 KB
Volume: 1
Category: Article
ISSN: 0927-7056
DOI: 10.1007/bf00203265

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✦ Synopsis

A high-angle grain boundary is modeled as a planar defect characterized by its thickness and atomic density. We successively examine the elastic and electronic contributions to the solute/grain boundary binding energy. We deduce the effect of the grain boundary physical parameters on its propensity for segregation. The thickness of high-angle grain boundaries is not a fundamental parameter for segregation. The atomic density in the grain boundary controls the electronic binding energy. The rate of change of elastic constants with the density is the important factor in the elastic contribution to segregation. We conclude that segregation to boundaries with small excess volumes is not precluded.

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