Interstitialcy-based reordering kinetics of Ni3Al precipitates in irradiated Ni-based super alloys
نویسندگان
چکیده
Neutron irradiation tends to promote disorder in ordered alloys through the action of thermal spikes that it generates, while simultaneously introducing point defects and defect clusters. As they migrate, these will reordering alloys, acting against irradiation-induced disordering. In this study, classical molecular dynamics a highly parallel accelerated sampling method are used study kinetics Ni3Al under diffusion self-interstitial atoms (SIA). By monitoring order parameter potential energy from atomistic simulations, we show SIA acts as agent Ni3Al. A mean-field rate theory model interstitialcy-based is introduced, which reproduces simulation data predicts at temperatures low 500 K.
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1 Universidad Autonoma del Estado de Morelos, CIICAp, Avenida Universidad 1001, 62209 Cuernavaca, MOR, Mexico 2 Instituto de Ciencias Fisicas, Universidad Nacional Autonoma de Mexico, Avenida Universidad s/n, 62210 Cuernavaca, MOR, Mexico 3 Facultad de Quımica, Universidad Nacional Autonoma de Mexico, 04510 Mexico, DF, Mexico 4 Corrosion y Proteccion, Buffon 46, 11590 Mexico, D.F., Mexico * E-m...
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ژورنال
عنوان ژورنال: Materialia
سال: 2021
ISSN: ['2589-1529']
DOI: https://doi.org/10.1016/j.mtla.2021.101180