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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 The Impact of Metastable Grain Boundary States on Mobility in FCC Metal
Author(s) Yutong Bi, Ian Chesser, Elizabeth A. Holm
On-Site Speaker (Planned) Yutong Bi
Abstract Scope In this work, we study the influence of metastable states on grain boundary mobility with atomistic simulations. We apply synthetic driving force to three different ∑5(210) grain boundary structures (Normal Kites, Filled Kites, Split Kites) at a variety of temperatures and driving force magnitudes. The maximum density SK structure was found to have the highest mobility at low driving forces and lowest mobility at high driving forces. Meanwhile, a change in shear coupling mode and vacancy ejection was observed for SK at high driving forces. This change in grain boundary migration indicates a potential grain boundary phase transition. Moving boundaries were quenched to 0K framewise to calculate excess properties in order to determine the presence of a grain boundary phase transition.
Proceedings Inclusion? Undecided

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

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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