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A Monte Carlo Solution to the Problem of Diffusion in Grain Boundaries
Author(s) -
Hodge James D.
Publication year - 1991
Publication title -
journal of the american ceramic society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.9
H-Index - 196
eISSN - 1551-2916
pISSN - 0002-7820
DOI - 10.1111/j.1151-2916.1991.tb06932.x
Subject(s) - monte carlo method , grain boundary , crystallite , materials science , diffusion , statistical physics , exponential function , penetration depth , range (aeronautics) , grain boundary diffusion coefficient , mathematics , physics , microstructure , thermodynamics , optics , mathematical analysis , metallurgy , statistics , composite material
A computer‐oriented Monte Carlo approach is used to generate solutions to the problem of simultaneous diffusion of particles along grain boundaries and in the bulk for polycrystalline materials. The calculation technique also utilizes a Monte Carlo technique to generate a random array of grains and grain boundaries through which particles diffuse. This technique has been used to calculate diffusional profiles for a range of grain sizes and relative mobilities. It is found that the exponential dependence of concentration on penetration depth, long characterized as being approximately equal to 1 for polycrystalline diffusion, is a function of the relative mobilities of material in boundaries versus the bulk.