论文信息 - Computer Calculations of the Structure and Energy of High‐Angle Grain Boundaries

Computer Calculations of the Structure and Energy of High‐Angle Grain Boundaries

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.

B. Chalmers | H. Gleiter | M. Weins

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