|About this Abstract
||2022 TMS Annual Meeting & Exhibition
||Advances in Powder and Ceramic Materials Science
||Atomistic Modeling of the Effect of External Electric Field on Diffusivity and Flash Sintering of 8YSZ
||Wenwu Xu, Md. Shahrier Hasan, Eugene Olevsky
|On-Site Speaker (Planned)
The atomistic structural modification and ionic diffusivity in 8YSZ at elevated temperature with an external electric field (E-field) were investigated by molecular dynamics (MD) simulations. As an example, a sufficiently large system of atomic configuration for a bi-crystal ∑5(310)/ grain boundary (GB) model was studied. MD results show that the E-field promotes the formation of Frenkel pair defects. Notably, some Zr ions diffuse out of GB regions at E-field≳500-1000V/cm, resulting in an “avalanche” of cation vacancies at GBs and reduced GB space charge. Consequently, the diffusivities of cations and anions are enhanced in the 8YSZ system with the presence of an E-field. The atomistic level understanding of E-field induced structural modifications, and ionic diffusivities provide an in-depth insight to unravel the flash sintering mechanisms of ionic ceramics, especially the coupled thermal-field effect during the flash sintering process.
||Ceramics, Modeling and Simulation, Process Technology