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Free, publicly-accessible full text available April 1, 2023
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Salloom, R. ; Mantri, S. A. ; Banerjee, R. ; Srinivasan, S. G. ( , Scientific Reports)Abstract For decades the poor mechanical properties of Ti alloys were attributed to the intrinsic brittleness of the hexagonal ω-phase that has fewer than 5-independent slip systems. We contradict this conventional wisdom by coupling first-principles and cluster expansion calculations with experiments. We show that the elastic properties of the ω-phase can be systematically varied as a function of its composition to enhance both the ductility and strength of the Ti-alloy. Studies with five prototypical β-stabilizer solutes (Nb, Ta, V, Mo, and W) show that increasing β-stabilizer concentration destabilizes the ω-phase, in agreement with experiments. The Young’s modulus of ω-phase alsomore »decreased at larger concentration of β-stabilizers. Within the region of ω-phase stability, addition of Nb, Ta, and V (Group-V elements) decreased Young’s modulus more steeply compared to Mo and W (Group-VI elements) additions. The higher values of Young’s modulus of Ti–W and Ti–Mo binaries is related to the stronger stabilization of ω-phase due to the higher number of valence electrons. Density of states (DOS) calculations also revealed a stronger covalent bonding in the ω-phase compared to a metallic bonding in β-phase, and indicate that alloying is a promising route to enhance the ω-phase’s ductility. Overall, the mechanical properties of ω-phase predicted by our calculations agree well with the available experiments. Importantly, our study reveals that ω precipitates are not intrinsically embrittling and detrimental, and that we can create Ti-alloys with both good ductility and strength by tailoring ω precipitates' composition instead of completely eliminating them.« lessFree, publicly-accessible full text available December 1, 2022
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Mantri, S.A. ; Nartu, M.S.K.K.Y. ; Dasari, S. ; Sharma, A. ; Agrawal, P. ; Salloom, R. ; Sun, F. ; Ivanov, E. ; Cho, K. ; McWilliams, B. ; et al ( , Additive Manufacturing)Free, publicly-accessible full text available December 1, 2022
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Sharma, A. ; Soni, V. ; Dasari, S. ; Mantri, S.A. ; Zheng, Y. ; Fraser, H. ; Banerjee, R. ( , Scripta Materialia)