Phase Transitions and Stability of Group IV bcc metals

摘要

Born stability criteria were employed in the framework of extended gen- eralised exponential potential to calculate the theoretical strength and range o stability of a perfect uniaxially stressed crystal lattice of group IV bcc met- also titanium, zirconium, and hafnium. The analysis depicts two ranges of stability, a bcc phase and a body centered tetragonal phase. The computed value of theoretical strength and strain of bcc Ti, Zr and Hf agree satisfac- torily with the experimental limits. The second-order elastic constants C_11 and C_12 were also computed.