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Phase-Field Modelling of radiation induced microstructures

Published online by Cambridge University Press:  21 April 2015

L. Luneville
DEN/DANS/DMN/SRMA/LA2M/LRC-CARMEN, CEA Saclay, 91191 Gif-sur-Yvette, France
G. Demange
DEN/DANS/DM2S/SERMA/LLPR/LRC-CARMEN, CEA Saclay, 91191 Gif-sur-Yvette, France
V. Pontikis
DSM/IRAMIS/LSI, CEA Saclay, 91191 Gif-sur-Yvette, France
D. Simeone
DEN/DANS/DM2S/SERMA/LLPR/LRC-CARMEN, CEA Saclay, 91191 Gif-sur-Yvette, France
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This work shows that realistic irradiation-induced phase separation and the resulting microstructures can be obtained via an adapted Phase Field (PF) modelling combined with atomistic Monte Carlo simulations in the pseudo-grand canonical ensemble. The last allow for calculating the equilibrium phase diagram of the silver-copper alloy, chosen as a model of binary systems with large miscibility gap and, for extracting the parameters of the excess free-energy PF functional. Relying on this methodology, the equilibrium phase diagram of the alloy is predicted in excellent agreement with its experimental counterpart whereas, under irradiation, the predicted microstructures are functions of the irradiation parameters. Different irradiation conditions trigger the formation of various microstructures consistently presented as a non-equilibrium “phase diagram” aiming at facilitating the comparison with experimental observations.

Copyright © Materials Research Society 2015 

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