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Meeting 2026 TMS Annual Meeting & Exhibition
Symposium Nanostructured Materials in Extreme Environments IV
Presentation Title Phase-Field Modeling of Nanotwin Evolution and Grain Boundary Interactions in Ni-Based Alloys
Author(s) Yixi Shen, Irene Beyerlein
On-Site Speaker (Planned) Yixi Shen
Abstract Scope Nanotwins (NT) are fine defect structures that commonly form in sputtered face centered cubic materials with low stacking fault energy. During NT material fabrication, rapid solidification frequently induces significant residual stresses and strains, which can potentially affect microstructural evolution during subsequent annealing. To systematically study this behavior, we developed an anisotropic phase field model that incorporates elastic energy and thermal gradients. The model is used to investigate the influence of annealing temperatures and residual stresses on detwinning in Ni-based NT materials. The effects of nanotwin thickness, twin boundary energies, and grain boundary energies on the interactions between nanotwins and grain boundaries are also explored. These insights will improve understanding of the stability of sputtered Ni-based NT materials with respect to fabrication conditions and subsequent exposure to temperature.
Proceedings Inclusion? Planned:
Keywords Computational Materials Science & Engineering, Thin Films and Interfaces, Copper / Nickel / Cobalt

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

Atomic-Scale Defect Healing in In2O3 Under Dual Stage Radiation
Atomistic Simulations Investigating the Effects of Nano-Dispersoids on Early-Stage Oxidation Mechanisms
Designing Stable Nanoporous UHTCs for High Temperature Aerospace Applications
Fabrication and Thermal Stability of Nanoporous Tungsten
Grain Boundary Segregation and Nanoscale Precipitation in Fe-Based Alloys
Ion Irradiation Induced Diamond Graphitization: An Evaluation of the Efficiency of Different Ion Species
Irradiation Induced Twin-Fading in Epsilon Phase Zirconium Hydride
Molecular Dynamics Simulations of Displacement Cascades and Defect Formation in Zr-Nb Due to Irradiation
Phase-Field Modeling of Nanotwin Evolution and Grain Boundary Interactions in Ni-Based Alloys
Phase-Field Modeling of the Transition From Protective External Oxides to Detrimental Internal Oxidation in Ni-Cr Alloys
Understanding of Structure and Stability of Three-Dimensional Interfaces Under Irradiation
Understanding Phases Produced by Irradiation-Induced Amorphous-to-Crystalline Transformations in Nanostructured Ceramics

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