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Meeting Materials Science & Technology 2020
Symposium Grain Boundaries, Interfaces, and Surfaces in Functional Materials: Fundamental Structure-Property-Performance Relationships
Presentation Title Vacancy-enhanced Grain Boundary Migration
Author(s) Shuozhi Xu, Dengke Chen, Yashashree Kulkarni
On-Site Speaker (Planned) Shuozhi Xu
Abstract Scope Grain boundaries (GBs) are key players in the plasticity, damage, and failure of polycrystalline materials. A quantitative description of GB-mediated processes, such as migration, sliding, and defect interactions, is hence vital for optimizing the properties of the polycrystal through mechanical processing and has been the subject of long-standing interest. Conventional understanding is that point defects, including vacancies, interstitials, and substitutional atoms, have a drag effect, thereby hindering GB migration. In this work, using atomistic simulations, we reveal that vacancies serve as energetically favorable sites for the nucleation of GB disconnections, thereby inducing shear-coupled migration of certain GBs. Fully 3D nudged elastic band-based calculations demonstrate that vacancies weaken the line tension of a disconnection loop, and hence enhance GB migration.
Proceedings Inclusion? Undecided


A Survey of Constrained Grain Boundary Migration Mechanisms
Advanced TEM of Interfaces and Defects in Functional Ceramics
Anisotropy at Interfaces in Rare-earth Pyrosilicates for High-temperature Coatings
Effect of Electrode Composition and Potential on Moisture Incorporation and Degradation in Dielectrics and Piezoelectrics
Electromigration-induced Defects' Evolution in Polycrystalline Interconnects: Insights from Phase-field Simulations
Equilibrium and Kinetic Shapes of Grains in Polycrystals
Grain Boundary Engineering ZnAl2O4 via Rare Earth (RE) Doping with Varying Ionic Radii
Implications of Ferroelectricity in Perovskite Solar Cells
Phase Stability of Sr1-xBaxMnO3 (0 ≤ x ≤ 0.5) Films Using Combinatorial Substrate Epitaxy
Relating Grain Size Distributions and Grain Boundary Excess Coverages to Complexion Transitions in Eu-doped MgAl2O4
The Impact of Metastable Grain Boundary States on Mobility in FCC Metal
Thermal Property of Diamond Thin Film on Si (100) Substrate
Vacancy-enhanced Grain Boundary Migration

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