Document Type
Journal Article
Publication Title
Small Structures
Publisher
Wiley
School
Centre for Advanced Materials and Manufacturing / School of Engineering
RAS ID
71338
Funders
National Natural Science Foundation of China / Edith Cowan University
Grant Number
G1006320, 85003, 52274387, 52311530772
Abstract
High-entropy alloys (HEAs) are novel materials composed of multiple elements with nearly equal concentrations and they exhibit exceptional properties such as high strength, ductility, thermal stability, and corrosion resistance. However, the intricate and diverse structures of HEAs pose significant challenges to understanding and predicting their behavior at different length scales. This review summarizes recent advances in computational simulations and experiments of structure-property relationships in HEAs at the nano/micro scales. Various methods such as first-principles calculations, molecular dynamics simulations, phase diagram calculations, and finite element simulations are discussed for revealing atomic/chemical and crystal structures, defect formation and migration, diffusion and phase transition, phase formation and stability, stress-strain distribution, deformation behavior, and thermodynamic properties of HEAs. Emphasis is placed on the synergistic effects of computational simulations and experiments in terms of validation and complementarity to provide insights into the underlying mechanisms and evolutionary rules of HEAs. Additionally, current challenges and future directions for computational and experimental studies of HEAs are identified, including accuracy, efficiency, and scalability of methods, integration of multiscale and multiphysics models, and exploration of practical applications of HEAs.
DOI
10.1002/sstr.202400110
Creative Commons License
This work is licensed under a Creative Commons Attribution 4.0 License.
Comments
Jiang, D., Li, Y., Wang, L., & Zhang, L. C. (2024). Accelerating the exploration of high‐entropy alloys: Synergistic effects of integrating computational simulation and sxperiments. Small Structures. Advance online publication. https://doi.org/10.1002/sstr.202400110