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Phase-Field Modelling of radiation induced microstructures

Published online by Cambridge University Press:  21 April 2015

L. Luneville ,
G. Demange ,
V. Pontikis  and
D. Simeone
L. Luneville
Affiliation:
DEN/DANS/DMN/SRMA/LA2M/LRC-CARMEN, CEA Saclay, 91191 Gif-sur-Yvette, France
G. Demange
Affiliation:
DEN/DANS/DM2S/SERMA/LLPR/LRC-CARMEN, CEA Saclay, 91191 Gif-sur-Yvette, France
V. Pontikis
Affiliation:
DSM/IRAMIS/LSI, CEA Saclay, 91191 Gif-sur-Yvette, France
D. Simeone
Affiliation:
DEN/DANS/DM2S/SERMA/LLPR/LRC-CARMEN, CEA Saclay, 91191 Gif-sur-Yvette, France
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Abstract

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.

Keywords

ion-implantationmicrostructurephase transformation
Type
Articles
Information
MRS Online Proceedings Library (OPL) , Volume 1743: Symposium DD/WW – Materials and Radiation Effects for Advanced Nuclear Technologies , 2015 , mrsf14-1743-ww04-03
Copyright
Copyright © Materials Research Society 2015 

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