Alloying Effect on Transformation Strain and Martensitic Transformation Temperature of Ti-Based Alloys from Ab Initio Calculations.

ABSTRACT: The accurate prediction of alloying effects on the martensitic transition temperature (M_s) is still a big challenge. To investigate the composition-dependent lattice deformation strain and the M_s upon the β to α″ phase transition, we calculate the total energies and transformation strains for two selected Ti-Nb-Al and Ti-Nb-Ta ternaries employing a first-principles method. The adopted approach accurately estimates the alloying effect on lattice strain and the M_s by comparing it with the available measurements. The largest elongation and the largest compression due to the lattice strain occur along ±[011]_β and ±[100]_β, respectively. As compared to the overestimation of the M_s<

SUBMITTER: Fang H 

PROVIDER: S-EPMC10488558 | biostudies-literature | 2023 Sep

REPOSITORIES: biostudies-literature