Multiple jumps and vacancy diffusion in a face-centered cubic metal

Details Multiple jumps and vacancy diffusion in a face-centered cubic metal Multiple jumps and vacancy diffusion in a face-centered cubic metal

1992-08-12

arxiv.org/abs/cond-mat/9208008v1

Europhys.Lett.20:349-356,1992

Physics

Condensed Matter

16 pages

Scientific paper

10.1209/0295-5075/20/4/011

The diffusion of monovacancies in gold has been studied by computer simulation. Multiple jumps have been found to play a central role in the atomic dynamics at high temperature, and have been shown to be responsible for an upward curvature in the Arrhenius plot of the diffusion coefficient. Appropriate saddle points on the potential energy surface have been found, supporting the interpretation of vacancy multiple jumps as distinct migration mechanisms.

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