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Meeting

2026 TMS Annual Meeting & Exhibition

Symposium

Computational Thermodynamics and Kinetics

Presentation Title

Thermodynamics and Kinetics of Self-Pinning of Moving Grain Boundaries

Author(s)

Omar Hussein, Yuri Mishin

On-Site Speaker (Planned)

Omar Hussein

Abstract Scope

Existing models of solute drag consider only diffusion normal to the moving grain boundary (GB) and neglect lateral diffusion. However, diffusion along the GB can cause inhomogeneous redistribution of the solute atoms in the segregation atmosphere and possible phase separation. This may create an array of nanoclusters attached to the GB and pinning it by the Zener mechanism. This self-pinning effect could be more effective than the thermodynamic or kinetic mechanisms acting alone. The solute would stabilize the GB through three mechanisms: reduction of GB free energy, solute drag, and Zener pinning. We present an atomistic model that demonstrates the self-pinning effect and predicts its dependence on the thermodynamic and kinetic properties of the alloy.

Proceedings Inclusion?

Planned:

Keywords

Computational Materials Science & Engineering, Modeling and Simulation, Thin Films and Interfaces

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