|About this Abstract
||2018 TMS Annual Meeting & Exhibition
||Computational Design and Simulation of Materials (CDSM 2018): Atomistic Simulations
||L-9: 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 57Co 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 ab initio 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 Al3Sc-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