Computer Calculations of the Structure and Energy of High-Angle Grain Boundaries
- 1 June 1971
- journal article
- research article
- Published by AIP Publishing in Journal of Applied Physics
- Vol. 42 (7) , 2639-2645
- https://doi.org/10.1063/1.1660601
Abstract
A method that has been developed to obtain the geometry of a grain boundary associated with a minimum internal energy is described in detail. A Morse potential is employed to represent the interatomic forces. The procedure was applied to a series of boundaries of the coincidence orientations. The resulting structures are consistent with experimental observations.This publication has 10 references indexed in Scilit:
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