Computer simulation of the effect of coherency strain on cluster growth kinetics |
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Authors: | Jong K Lee |
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Affiliation: | (1) Department of Metallurgical and Materials Engineering, Michigan Technological University, 49931 Houghton, MI |
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Abstract: | To understand clustering behavior under the influence of a coherency strain, Monte Carlo simulations were carried out for
both two-dimensional (2-D) square and three-dimensional (3-D) simple cubic lattices. In the Monte Carlo model, each solute
was assumed to exert coherency stress owing to a tetragonal misfit strain and to have surface energy when in contact with
solvent atoms. To account for the coherency strain of a cluster whose morphology continuously changes during aging, exact
expressions for both the self-strain energy and elastic interaction term for rectangular parallelepipeds were derived. Strong
elastic interactions among platelike clusters are shown to develop a stabilized structure with a tendency for bridging the
clusters at a right angle. In the early stage of evolution, solute atoms were found to diffuse into regions of stress concentration.
Morphological changes revealed step movements on the edge of a cluster, and some steps were moving in the direction of dissolution
(rather than growth) for the cluster, thus displaying a dynamic nature of step movement. When an initial shape was an elastically
unstable one, a large cluster was found to dissolve into its solid solution, while, in the same environment, a cluster of
the same size with a stable morphology sustained growth. During dynamic evolution, some clusters showed concave, instead of
convex, surfaces, even though the former are highly nonequilibrium shapes.
This paper is based on a presentation made in the symposium “The Role of Ledges in Phase Transformations” presented as part
of the 1989 Fall Meeting of TMS-MSD, October 1–5, 1989, in Indianapolis, IN, under the auspices of the Phase Transformations
Committee of the Materials Science Division, ASM INTERNATIONAL. |
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