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Phase Transitions and Stability of Group IV BCC Metals

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Verma M., Verma A., Rathore R.

Acta Physica Polonica A

1998

vol. 93

issue 3

479-489

Born stability criteria were employed in the framework of extended generalised exponential potential to calculate the theoretical strength and range of stability of a perfect uniaxially stressed crystal lattice of group IV bcc metals: 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 satisfactorily with the experimental limits. The second-order elastic constants C_{11} and C_{12} were also computed.

Elastic Behaviour and Lattice Vibrations in bcc V and Nb

100%

Verma A., Verma M., Rathore R.

A model is developed by extending the generalised form of exponential potential known as extended generalised exponential potential to account for: (a) a realistic realization of interactions in all separations in general and that of small separations in particular, (b) three-body and electronic effects into the interaction in an alternative and simpler form, (c) a model free from usual fitting procedure. The model is employed to compute the cohesive energy, phonon spectra and second- and third-order elastic constants for group VA bcc metals V and Nb. The computed results showing good agreement with the experimental findings lend reliability and credibility to the potential.

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2 Acta Physica Polonica A

1 1998

1 1996

2 Rathore R.

2 Verma A.

2 Verma M.

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Phase Transitions and Stability of Group IV BCC Metals

Elastic Behaviour and Lattice Vibrations in bcc V and Nb