About this Abstract |
Meeting |
2022 TMS Annual Meeting & Exhibition
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Symposium
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Advances in Multi-Principal Elements Alloys X: Structures and Modeling
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Presentation Title |
Energy Landscape of Deformation Twinning in Multi-principal Elements bcc Alloys |
Author(s) |
Liang Qi, Shih-Kuang Lee |
On-Site Speaker (Planned) |
Liang Qi |
Abstract Scope |
Deformation twinning can be an important plastic deformation mechanism for multi-principal elements body-centered cubic (bcc) alloys, such as metastable beta Ti alloys. In this study, we apply first-principles-based calculations to determine the energy landscape of {112} and other deformation twinning modes in multi-principal elements bcc alloys that contain Ti. Supercells of alloys with different compositions are constructed either by special quasirandom structures (SQS) structures to simulate solid solutions or Monte Carlo simulations to consider the short-range ordering (SRO). Different numbers of twin embryo layers in these supercells are investigated to determine their formation and migration energies. The stability of these twin embryos is also compared with the embryos of other possible metastable phases. These energy landscape results are used to explain the competitive mechanisms between different modes of deformation twinning and formation of metastable phases in multi-principal elements bcc alloys as the function of chemical compositions and electronic structures. |
Proceedings Inclusion? |
Planned: TMS Journal: Metallurgical and Materials Transactions |
Keywords |
Modeling and Simulation, High-Entropy Alloys, Titanium |