首页|The hcp-bcc transition of Be via anisotropy of modulus and sound velocity
The hcp-bcc transition of Be via anisotropy of modulus and sound velocity
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The hcp-bcc transition of Be via anisotropy of modulus and sound velocity
Based on ab initio calculations,we utilize the mean-field potential approach with the quantum modification in con-junction with stress-strain relation to investigate the elastic anisotropies and sound velocities of hcp and bcc Be under high-temperature(0-6000 K)and high-pressure(0-500 GPa)conditions.We propose a general definition of anisotropy for elastic moduli and sound velocities.Results suggest that the elastic anisotropy of Be is more significantly influenced by pressure than by temperature.The pressure-induced increase of c/a ratio makes the anisotropy of hcp Be significantly strengthen.Nevertheless,the hcp Be still exhibits smaller anisotropy than bcc Be in terms of elastic moduli and sound velocities.We suggest that measuring the anisotropy in shear sound velocity may be an approach to distinguishing the hcp-bcc phase transition under extreme conditions.
anisotropyphase transitionelastic and sound propertiesmean-field potential
杨真、咸佳伟、高兴誉、田付阳、宋海峰
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Institute of Applied Physics,University of Science and Technology Beijing,Beijing 100083,China
National Laboratory of Computational Physics,Institute of Applied Physics and Computational Mathematics,Beijing 100088,China
anisotropy phase transition elastic and sound properties mean-field potential
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