Monte Carlo Modelling of the Effective Diffusivity in Composite Material

Irina V. Belova; Graeme E. Murch

doi:10.4028/www.scientific.net/DDF.261-262.103

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Investigations of the axial displacements of Co²⁺and Ni³⁺ in Al₂O₃
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Monte Carlo Modelling of the Effective Diffusivity in Composite Material

Abstract:

In this paper we perform a systematic Monte Carlo study of the effective diffusivity in a 2D composite in which the dispersed phase (squares) is arranged in square planar and brick-work patterns within the matrix phase. We focus on the commonly encountered case where the dispersed phase has a much lower diffusivity than the matrix and where the segregation of the diffusant favours the matrix phase. It is found that while the generalized Maxwell-Garnett Equation generally describes the effective diffusivity semi-quantitatively, in order to have an accurate representation of the effective diffusivity at moderate volume fractions of the dispersed phase, it is necessary to use a more refined Maxwell-Garnett Equation that takes into account the actual shape and geometry of the dispersed phase.

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Periodical:

Defect and Diffusion Forum (Volumes 261-262)

Pages:

103-108

DOI:

https://doi.org/10.4028/www.scientific.net/DDF.261-262.103

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Online since:

January 2007

Authors:

Irina V. Belova, Graeme E. Murch

Keywords:

Composite, Diffusion, Effective Diffusivity, Monte-Carlo

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References

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