First Principle Study of Ti50Al50 Alloys
The study on the Ti-based materials and its application has been the interest of many research industries. These alloys are known to have an ordered B2 phase at high temperatures and transform to a stable low B19 martensitic phase. First principle approach has been used to study L10, B32, B2 and B19 Ti50Al50 alloys and the results compared well with the available experimental data. The equilibrium lattice constants are in good agreement with the experimental values (within 3% agreement). Furthermore, the elastic constants of these alloys are calculated, and revealed stability for L10 and B19 structures, while B2 and B32 gave C′<0 (condition of instability).
Huiping Tang, Ma Qian, Yong Liu, Peng Cao and Gang Chen
R. Modiba et al., "First Principle Study of Ti50Al50 Alloys", Key Engineering Materials, Vol. 770, pp. 224-229, 2018