Abstract

Computer simulation of symmetric tilt grain boundaries (GB) Σ=5 [1 0 0] (0 1 2) and Σ=5 [1 0 0] (0 1 3) in alloy Ni 3Al was carried out. The energy of GB was calculated out by a method of construction of γ-surface with using Morse's empirical central-force potentials. Investigations shown that GB have several steady states: one is stable and other – metastable. These states differ by energy and atomic structure GB. It is shown, that GB in model CSL are unstable, the stabilization is achieved by additional displacement on some vector along plane of defect. Directions and value of potential barriers of GB slippage are calculated.

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