Effect of pressure on the phase stability, elastic anisotropy, and physical properties of CuZr structures
Yongmei Zhang,
Xiaopan Wang,
Yuqi Gao
et al.
Abstract:The effect of hydrostatic pressure on the relative stabilities of the four main structures in CuZr has been estimated using first‐principles calculations. The results indicate that hydrostatic pressure induces the B19′ → B19 transformation at ~40 GPa and Cm → B19 transformation at ~68 GPa. At 0 GPa, these CuZr structures exhibit analogous values of B, G, and E and small difference in σ. However, the differences between these structures become appreciable in B, G, E, and σ values. 3D graphs of Young's modulus r… Show more
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