Phase-Field Modelling of radiation induced microstructures. Issue 1743 (21st April 2015)

• Record Type: Journal Article
• Authors: Luneville, L.; Demange, G.; Pontikis, V.; Simeone, D.
• Editors: Baldinozzi, G.; Deo, C.; Arakawa, K.; Djurabekova, F.; Gill, S.K.; Marquis, E.; Soisson, F.; Yasuda, K.; Zhang, Y.
• Is Part Of: MRS proceedings. Issue 1743:(2015)
• Publication Date: 2015-04-21
• Subjects: ion-implantation, -- microstructure, -- phase transformation; Electrical engineering -- Congresses; Physics -- Congresses; Materials -- Research -- Congresses; Materials science -- Congresses; 620.11
• DOI: 10.1557/opl.2015.360
• Languages: English
• ISSNs: 0272-9172

Abstract

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.