Tailoring thermodynamic stability, mechanical properties, and anisotropies in TiX (X=Nb, Zr) disordered alloys: A first-principles study
Source abstract
Abstract
This paper employs first principles to calculate the elastic modulus and anisotropies of β-TiX ( X=Nb/Zr) disordered models. Based on the special quasi-random structures (SQS) theory and utilizing the open-source software ICET, disordered structures of β-TiX ( X=Nb/Zr) are established, and their formation energies and the stability of the β phase are determined. Subsequently, the elastic constants of these structures are computed, followed by calculations of the elastic anisotropies of Young`s modulus and an analysis of alloys prone to fatigue cracking. The insights provided contribute to a deeper understanding of the mechanical properties of β-TiX alloys, facilitating their design and optimization for various applications.
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Research context
OpenAlex topics: Titanium Alloys Microstructure and Properties · Intermetallics and Advanced Alloy Properties · Advanced materials and composites
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
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