Exploring High-Entropy Alloys (HEAs): Theoretical Insights into Phase Stability and Mechanical Properties

DOI

10.2991/978-94-6463-884-4_86How to use a DOI?

Keywords

High-Entropy Alloys; Multi-Principal Element Alloys; Density Functional Theory; CALPHAD Modeling; Advanced Materials Design; Microstructural Analysis; Thermodynamic Properties

Abstract

High-entropy alloys (HEAs), an emerging class of advanced materials, are composed of multiple principal elements, offering remarkable properties such as superior mechanical strength, ductility, thermal stability, and corrosion resistance. HEAs challenge traditional material paradigms by leveraging high configurational entropy to stabilize single-phase structures, making them highly versatile for applications in aerospace, biomedical, and energy sectors. This research delves into the theoretical and experimental insights into phase stability and mechanical properties of HEAs. The study investigates phase stability, which governs the microstructure, thermal behavior, and mechanical performance, through computational methods like density functional theory (DFT) and the CALPHAD approach. Experimental synthesis methods, including vacuum arc melting and powder metallurgy, were employed to fabricate HEAs with tailored compositions. Characterization techniques such as X-ray diffraction (XRD) and scanning electron microscopy (SEM) revealed the intricate phase stability and microstructural features, while mechanical testing confirmed the enhanced properties. Results demonstrated that solid-solution strengthening, grain boundary engineering, and the cocktail effect synergistically improve tensile strength, ductility, and hardness. The mechanical properties of AlCoCrFeNi, CoCrFeMnNi, and NbMoTaW alloys exemplify their potential for diverse industrial applications. Conclusively, this study highlights the significance of compositional tailoring and microstructural optimization in HEAs, underscoring their immense potential in advanced engineering applications while addressing scalability and property optimization challenges.

Copyright

© 2025 The Author(s)

Open Access

Open Access This chapter is licensed under the terms of the Creative Commons Attribution-NonCommercial 4.0 International License (http://creativecommons.org/licenses/by-nc/4.0/), which permits any noncommercial use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license and indicate if changes were made.

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TY  - CONF
AU  - Md. Abtahi Islam Fahim
PY  - 2025
DA  - 2025/11/18
TI  - Exploring High-Entropy Alloys (HEAs): Theoretical Insights into Phase Stability and Mechanical Properties
BT  - Proceedings of the 8th International Conference on Engineering Research, Innovation, and Education 2025 (ICERIE 2025)
PB  - Atlantis Press
SP  - 715
EP  - 720
SN  - 2352-5401
UR  - https://doi.org/10.2991/978-94-6463-884-4_86
DO  - 10.2991/978-94-6463-884-4_86
ID  - Fahim2025
ER  -