| About this Abstract |
| Meeting |
2022 TMS Annual Meeting & Exhibition
|
| Symposium
|
Advances in Titanium Technology
|
| Presentation Title |
Local Distortion Effects on the Dynamic Lattice Stability in the BCC Phase of Titanium and Its Alloys: An Ab-initio Study |
| Author(s) |
Sri Ranga Jai Likith, Benjamin Ellyson, Amy Clarke |
| On-Site Speaker (Planned) |
Sri Ranga Jai Likith |
| Abstract Scope |
Phase transformations in the β-Ti system are controlled by soft phonons and highly damped lattice vibrations. Here we use Density Functional Theory (DFT) calculations to examine the effects of solute additions (V, Cr, Mo) on local structural distortions and the elastic instabilities important to the properties of metastable β-Ti alloys. The latter is gleaned from analyzing phonon behavior of μ-Ti in the presence of V, Cr, and Mo solutes at low concentrations (6.25 at.%). Modeling results show that phonons in β-Ti are sensitive to small-scale distortions caused by Ti-solute atom interactions. These distortions are quantified, and their effects on phonon behavior have been analyzed; specifically, the phonon branches that play an important role in the β-α and β-ω phase transformations. The goal of this study is to inform subsequent efforts to understand the elastic and dynamic phenomena that govern phase transformations and microstructure evolution in metastable β-Ti alloys. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Titanium, Computational Materials Science & Engineering, Modeling and Simulation |