Abstract
A high performance graphics mini-supercomputer has been used for the visualisation and analysis of 3-dimensional atomic-scale chemical data from iron-chromium alloys obtained using the position-sensitive atom probe. This instrument allows us to follow the progress of phase transformation by spinodal decomposition which occurs in these alloys during thermal ageing. Experimental results are compared with the results of computer modelling of the atomic processes occuring during decomposition. Two types of modelling have been performed: Monte Carlo simulations and a numerical solution of the solid-state diffusion (Cahn-Hilliard) equation. It was found that both models produced similar microstructures to the experimental system, but the models differed in their later stages of development in a time regime where no experimental data was available.
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Hyde, J.M., Cerezo, A., Hetherington, M.G., Smith, G.D.W. (1991). Supercomputers in Materials Science. In: Brebbia, C.A., Peters, A., Howard, D. (eds) Applications of Supercomputers in Engineering II. Springer, Dordrecht. https://doi.org/10.1007/978-94-011-3660-0_33
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DOI: https://doi.org/10.1007/978-94-011-3660-0_33
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