|About this Abstract
||2022 TMS Annual Meeting & Exhibition
||Advances in Multi-Principal Elements Alloys X
||Atomistic Simulations of Mechanical Responses and Defect Activities in B2 Low-to-High-Entropy Intermetallic Compounds
||Cheng-Yuan Tsai, Chi-Huan Tung, Shou-Yi Chang
|On-Site Speaker (Planned)
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.
||High-Entropy Alloys, Modeling and Simulation, Computational Materials Science & Engineering