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Point defects and their influence on thermoactivated disordering process of Ni3Al intermetallic

Mikhail D. Starostenkov 1Natalia B. Cholodova Gennady M. Poletaev 1

1. Altai State Technical University (ASTU), Lenin st.46, Barnaul 656038, Russian Federation

Abstract

The influence of point defects on thermoactivated disordering of Ni3Al intermetallic was studied. Computer simulation was made by the method of molecular dynamics. It was found that the temperature of the beginning of diffusion process causing the appearance of disordering areas decreased. In this connection, the extent of decreasing was directly connected with the level of local stresses which caused the presence of point defects in the crystal. It concerned, first of all, a proper interstitial atom and interstitial atoms of Frenckel pairs. The temperature of the beginning of superstructure diffusion reconstruction corresponded to 50-100 K for Ni3Al intermetallide. Then, it followed a big temperature interval - about 600 K. No considerable diffusion transformations were observed. If the crystal structure had only vacancies, diffusion was noticed only at about 400 K. Vacancies began to definitely contribute to a disordering process at higher temperature. The contributions of every type of point defects to a disordering process increased while melting point was approached. It is worse to note that dynamical Frenckel pairs played an active part in a disordering process in the case of an ideal crystal. Frenckel pairs had short lifetime at the first stages and recombined rapidly. Then, a process of their aggregation was observed. The complexes in a form of dislocation dipoles and loops were formed at the aggregation of interstitial atoms. The complexes displaced collectively at thermal activation. They formed cooperative displacements of a whole group of atoms including the presence of rotary modes. The effect of unification of point defect groups and their collective participation in a diffusion process of disordering can be characterized on the basis of self-organization concept of the system in a dynamics of thermal activation process.

 

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Related papers

Presentation: Poster at E-MRS Fall Meeting 2006, Symposium H, by Mikhail D. Starostenkov
See On-line Journal of E-MRS Fall Meeting 2006

Submitted: 2006-05-20 07:32
Revised:   2009-06-07 00:44