Study of Structure and Deformation Pathways in Ti-7Al Using Atomistic Simulations, Experiments, and Characterization

摘要: Ti-7Al is a good model material for mimicking the α phase response of near-α and α+β phases many widely used titanium-based engineering alloys, including Ti-6Al-4V. In this study, three structures are investigated using atomistic simulations by varying Ti Al atom positions within crystalline lattice. These atomic arrangements based on transmission electron microscopy observations short-range order. The elastic constants considered calculated molecular dynamics simulations. Resonant ultrasound spectroscopy experiments conducted to obtain at room temperature agreement found between simulation experimental results, providing confidence that reasonable. Additionally, energy barriers slip established these means calculating γ-surfaces different systems. Finally, atoms in regards solid solution strengthening studied density functional theory simulations, which demonstrate higher barrier when solute closer (or at) fault plane. results provide quantitative insights into deformation mechanisms alloy.