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On the Relationship between Calculations and Measurements of the Free Volume of Grain Boundaries

Published online by Cambridge University Press:  15 February 2011

S. C. Mehta  and
D. A. Smith
S. C. Mehta
Affiliation:
Department of Materials Science and Engineering, Stevens Institute of Technology, Hoboken, NJ-07030.
D. A. Smith
Affiliation:
Department of Materials Science and Engineering, Stevens Institute of Technology, Hoboken, NJ-07030.
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Abstract

Grain boundary free volume, simply defined as the difference between the volume of a bicrystal and that of a single crystal containing an equal number of atoms, provides a good measure of average grain boundary coordination. Free volume is useful because (a) computer calculations suggest that the grain boundary free volume scales with the grain boundary energy and (b) experimental measurement of free volume may be relatively easier and more direct than that of grain boundary energy. The objective of this paper is to compare the predictions from computer models of grain boundary free volume with experimental measurements.

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References

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