Study on the Alloying Elements Competition Mechanism of Nix1Crx2Cox3Al15Ti10 Alloys Based on High-Throughput Computation and Numerical Analysis

Abstract

Previous studies on the physical properties of alloy materials often focus solely on analyzing the impact of individual alloying element content, overlooking the underlying mechanism behind the synergistic action of multiple alloying elements. Therefore, in this study, we propose a combination of high-throughput computation and numerical analysis to conduct single-element (SE) analysis and multi-element (ME) analysis on the internal relationships between alloying element content and physical properties for the multi-component Nix1Crx2Cox3Al15Ti10 alloys, aiming to elucidate the competition mechanism among the Ni, Cr, and Co elements. The analysis of SE reveals how the physical properties of alloys are affected by the content of each individual alloying element, and the ME analysis further unveils the underlying competitive relationships among multiple alloying elements. The order of competitive intensity for the formation of lattice constant is Cr > Co > Ni, whereas for the formation of elastic constants and elastic moduli it is Ni > Co > Cr. At the same time, there are contradictory conclusions, such as the SE analysis showing that the Ni content is positively correlated with elastic constant C11, while the ME analysis demonstrates that the Ni element produces a negative competitive direction. This outcome arises from the omission of considering the combined impacts of various alloying elements in SE analysis. Therefore, the ME analysis can compensate for the limitations of SE analysis, and the integration of these two analytical methods is more conducive to elucidating the competition mechanism among various alloying elements in shaping the physical properties of alloys, which provides a promising avenue for theoretical research.