| About this Abstract |
| Meeting |
2021 TMS Annual Meeting & Exhibition
|
| Symposium
|
High Entropy Alloys IX: Structures and Modeling
|
| Presentation Title |
Structural Essentiality for Plasticity of High-entropy Alloys Profiled by Data Mining |
| Author(s) |
Wei-Ren Chen, Chi-Huan Tung, Shou-Yi Chang, Yue Fan, Zhitong Bai, Changwoo Do |
| On-Site Speaker (Planned) |
Chi-Huan Tung |
| Abstract Scope |
Existing studies have indicated the close link between the microstructure and mechanical behaviors of HEAs. How their configurational features influence the local plastic activity has not been answered unambiguously. Using atomistic simulations, we investigate the equilibrium structure of the CrMnFeCoNi HEA system. The local configurational features are first quantified by a gyration tensor weighted by local electronegativity and classified by principal component analysis. We found that the compositional difference only alters the mean inter-particle distance but has no influence on other configurational features including orientation and shape. Moreover, the local plastic activity is likely to take place in the spatial region characterized by low electronegativity. Linear discriminant analysis further provides evidence which demonstrates that the exact location of mechanical failure is determined by the compatibility between the orientation of local configuration units and the direction of applied stresses. Our computational findings shed new light on understanding the plasticity of HEA. |
| Proceedings Inclusion? |
Planned: TMS Journal: Metallurgical and Materials Transactions |
| Keywords |
High-Entropy Alloys, Computational Materials Science & Engineering, Other |