Theoretical Study on Structural Stability and Elastic Properties of Fe25Cr25Ni25TixAl(25-x) Multi-Principal Element Alloys

Li Liu; Ramesh Paudel; Yong Liu; Jing-Chuan Zhu

doi:10.3390/ma14041040

Theoretical Study on Structural Stability and Elastic Properties of Fe₂₅Cr₂₅Ni₂₅Ti_xAl_(25-x) Multi-Principal Element Alloys

Materials (Basel). 2021 Feb 22;14(4):1040. doi: 10.3390/ma14041040.

Authors

Li Liu¹, Ramesh Paudel², Yong Liu¹, Jing-Chuan Zhu^{1

3}

Affiliations

¹ Department of Materials Science and Engineering, Harbin Institute of Technology, Harbin 150001, China.
² Nepal Academy of Science and Technology (NAST), Khumaltar, Lalitpur 44700, Nepal.
³ National Key Laboratory of Science and Technology on Advanced Composites in Special Environments, Harbin Institute of Technology, Harbin 150080, China.

Abstract

Material genetic engineering studies the relationship between the composition, microstructure, and properties of materials. By adjusting the atomic composition, structure, or configuration of the material and combining different processes, new materials with target properties obtained. In this paper, the design, and properties of the ordered phases in Fe₂₅Cr₂₅Ni₂₅Ti_xAl_(25-x) (subscript represents the atomic percentage) multi-principal element alloys are studied. By adjusting the percentages of Ti and Al atoms, the effect of the atomic percentage content on ordered phases' structural stability in multi-principal element alloys are studied. Thermodynamic analysis predicted the composition phase and percentage of the alloy. Formation heat, binding energy, and elastic constants confirmed the structural stability and provide a theoretical basis for designing alloys with target properties. The results showed that the disordered BCC A2 phase and the ordered BCC B2 phase are the ductile phases, while the Laves phase is brittle. The research method in this paper is used to design multi-principal element alloys or other various complex materials that meet the target performance.

Keywords: Fe25Cr25Ni25TixAl(25-x) alloys; atomic composition or configuration; microstructure; target properties.