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Estimation of the Phenomenological Effective Diffusivity in Nanocrystalline Materials

Published online by Cambridge University Press:  01 February 2011

Irina V Belova  and
Graeme E Murch
Irina V Belova
Affiliation:
Diffusion in Solids Group, School of Engineering The University of Newcastle, Callaghan, NSW 2308 AUSTRALIA
Graeme E Murch
Affiliation:
Diffusion in Solids Group, School of Engineering The University of Newcastle, Callaghan, NSW 2308 AUSTRALIA
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Abstract

In this study we construct two new equations to describe the effective diffusivity in nanomaterials where diffusion proceeds via both the grains and the grain boundaries in comparable amounts. We analyze two very simple 2D grain configurations by Monte Carlo methods to test the validity of the equations. In addition, we also test the Hart and the recently extended Maxwell-Garnett equations. It is shown that one of the two new equations provides a very good description of diffusion in the grain models postulated.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 731: Symposium W – Modeling and Numerical Simulation of Materials Behavior and Evolution , 2002 , W5.5
Copyright
Copyright © Materials Research Society 2002

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References

1. Belova, I.V. and Murch, G.E., Phil. Mag. A, 81, 2447(2001).Google Scholar
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6. Belova, I.V. and Murch, G.E., Interface Science, in press.Google Scholar