Elastic phase transitions in metals at high pressures
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Crystalline lattices can become unstable to uniform shear strains, which may lead to a structural transformation to less symmetric structures. Transitions of this type are called elastic phase transitions. In this paper, elastic phase transitions in metals with cubic and hexagonal structures are considered. The relation between the elastic constants of second, third, and fourth order corresponding to the case of a first-order elastic phase transition are given. As an example, the structural transformation in vanadium, which is experimentally observed at P ˜ 69 GPa, and the possibility of structural transformation in molybdenum at P higher than 700 GPa are analyzed.
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Krasilnikov, O.; Belov, M.; Lugovskoy, Andrey; Mosyagin, I.; Vekilov, Y. (2014)The structural phase transitions in molybdenum under pressures are investigated on the basis of first principle analysis of elastic constants behavior and phonon dispersions. The definition of the effective elastic constants ...
Elastic and thermodynamic properties of vanadium nitride under pressure and the effect of metallic bonding on its hardnessChun-Ying, P.; Da-Wei, Z.; Dai-Xiao, B.; Cheng, L.; Xi-Lian, J.; Tai-Chao, S.; Zhang, Feiwu (2014)By the particle-swarm optimization method, it is predicted that tetragonal P42mc, I41md, and orthorhombic Amm2 phases of vanadium nitride (VN) are energetically more stable than NaCl-type structure at 0 K. The enthalpies ...
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