About this Abstract |
Meeting |
2022 TMS Annual Meeting & Exhibition
|
Symposium
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Advances in Multi-Principal Elements Alloys X: Structures and Modeling
|
Presentation Title |
Atomistic Simulations of Mechanical Responses and Defect Activities in B2 Low-to-high-entropy Intermetallic Compounds |
Author(s) |
Cheng-Yuan Tsai, Chi-Huan Tung, Shou-Yi Chang |
On-Site Speaker (Planned) |
Cheng-Yuan Tsai |
Abstract Scope |
The defect activities and consequent mechanical responses of high-entropy intermetallic compounds with a high anti-phase boundary energy and a long-range ordered structure are worth investigations because of their complex configuration randomness and large lattice distortions. Hence in this study, the deformation of NiTi-based, ordered B2-phase high-entropy intermetallic compound was investigated by using molecular dynamics simulations, as compared to the behavior of low- and medium-entropy intermetallic compounds. The atomistic simulations showed that the low-entropy intermetallic compound proceeded with regular martensitic transformation, followed by the surface nucleation and catastrophic long-distance gliding of long dislocations at a very high applied stress. In comparison, with the complexity of atomic sizes and interatomic potential, the phase transition was suppressed. Instead, more homogeneous nucleation and smaller-range activities of abundant short defects took place at a low stress and led to the more uniform plastic deformation and higher work hardening rate of high-entropy intermetallic compounds. |
Proceedings Inclusion? |
Planned: TMS Journal: Metallurgical and Materials Transactions |
Keywords |
High-Entropy Alloys, Modeling and Simulation, Computational Materials Science & Engineering |