|About this Abstract
||MS&T23: Materials Science & Technology
||Computational Discovery, Understanding, and Design of Multi-principal Element Materials
||Modelling and Simulation on Mechanical Behavior of High-entropy Alloys
||Yang Chen, Baobin Xie, Weizheng Lu, Jia Li
|On-Site Speaker (Planned)
The existing models and simulation methods are based on the development of low concentration alloys, and cannot be well applied to high entropy alloy (HEA) due to its unique natural characteristics, such as severe lattice distortion. In order to accurately predict the mechanical behavior of HEA, we develop i) random field theory informed discrete dislocation dynamics simulations to systematically clarify the role of heterogeneous lattice strain on the complex dislocation interactions; ii) a general framework by combining atomic simulation, discrete dislocation dynamics, and crystal plasticity finite element, to study the strain-hardening behavior, which achieves the influence of the complex cross-scale factors; iii) a multistage-design approach integrating machine learning, physical law and mathematical model for developing the desired-property HEAs in a very time-efficient way. These work provides a solid foundation for the deep comprehension and regulation of the mechanical behavior in HEAs.