|About this Abstract
||2018 TMS Annual Meeting & Exhibition
||Computational Design and Simulation of Materials (CDSM 2018): Atomistic Simulations
||Effect of Precipitation on Grain Boundary Diffusion in Al-based Alloy
||Sergiy V. Divinski, Vladislav Kulitcki, Bengue Tas Kavakbasi, Ankit Gupta, Yulia Buranova, Tilmann Hickel, J Neugebauer, Gerhard Wilde
|On-Site Speaker (Planned)
Grain boundary diffusion in severely deformed Al-Mg-Sc alloy is investigated. Equal channel angular processing and post-deformation heat treatments are combined, with the radioisotope <SUP>57</SUP>Co being employed as a sensitive probe of a given grain boundary state. Its diffusion rates near room temperature (320 K) are utilized to quantify the effects of severe plastic deformation, presumed formation of a previously reported deformation-modied state of grain boundaries, solute segregation at the interfaces, increased dislocation content after deformation and of the precipitation behavior on the transport phenomena along grain boundaries. An <I>ab initio</I> informed model is suggested to account for the effect of strain fields around the coherent particles on the grain boundary diffusion coefficient. The dominant effect of nano-sized Al<SUB>3</SUB>Sc-based precipitates is evaluated using density functional theory and the Eshelby model for the determination of elastic stresses around the precipitates.
||Planned: Supplemental Proceedings volume