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Atomistic Modelling of Diffusional Phase Transformations

A. Cerezo, J. M. Hyde, M. K. Miller, S. C. Petts, R. P. Setna and G. D. W. Smith
Philosophical Transactions: Physical Sciences and Engineering
Vol. 341, No. 1661, New Methods for Modelling Processes within Solids and at their Surfaces (Nov. 16, 1992), pp. 313-326
Published by: Royal Society
Stable URL: http://www.jstor.org/stable/53938
Page Count: 7
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Atomistic Modelling of Diffusional Phase Transformations
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Abstract

A simple Monte Carlo model has been used to simulate diffusional phase transformations occurring in binary alloys during thermal ageing. The results of the simulation are compared directly with atomic-scale chemical information obtained from position-sensitive atom probe microanalysis. A simple pair potential model is found to give a good match with the ageing behaviour of spindodally decomposing iron-chromium alloys. Initial results on the modelling of nucleation and growth are presented, and compared with phase separation of copper-cobalt alloys.

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