Chemical diffusion in highly defective solids
- 1 February 1980
- journal article
- research article
- Published by Taylor & Francis in Philosophical Magazine A
- Vol. 41 (2) , 157-163
- https://doi.org/10.1080/01418618008236131
Abstract
A steady-state computer-simulation method is described for the calculation of the chemical diffusion coefficient in the pseudo-one-component lattice gas with nearest-neighbour interactions. This formalism provides a useful framework for describing the important configurational aspects of diffusion in interstitial solid solutions and non-stoichiometric compounds. The results for the chemical diffusion coefficient are in excellent agreement with the exact modified Darken equation using independently obtained simulated values of the self-diffusivity, physical correlation factor and the chemical potential.Keywords
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