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Meeting

2026 TMS Annual Meeting & Exhibition

Symposium

Computational Thermodynamics and Kinetics

Presentation Title

Temperature Induced Migration of \Sigma3[112] Twin Boundaries in NiCr Alloys

Author(s)

Yixi Shen, Irene Beyerlein

On-Site Speaker (Planned)

Yixi Shen

Abstract Scope

Nanotwinned (NT) materials are known to be susceptible to loss of their NT structure when subjected to heating and annealing processes. One important mechanism behind this structural evolution is detwinning, which is induced by the migration of \Sigma3[112] type incoherent twin boundaries (ITB). In our work, molecular dynamics simulations are used to investigate this migration in Ni-Cr alloys. The effects of alloy composition, interatomic potential, variation in Cr solute distribution are systematically examined. Significant variability in ITB migration velocity is observed across different chemical distributions. A unique transition from planar to stepwise migration occurs even when ITBs are well separated and interaction effects are negligible, which is not observed in pure Ni or low Cr concentrations. This transition is strongly temperature-dependent and linked to local composition effects. These results underscore the complex coupling between composition, local chemical disorder, and thermal effects in ITB motion in Ni-Cr alloys.

Proceedings Inclusion?

Planned:

Keywords

Computational Materials Science & Engineering, Copper / Nickel / Cobalt, Thin Films and Interfaces

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