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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