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Zhen Yang(杨真), Jia-Wei Xian(咸家伟), Xing-Yu Gao(高兴誉), Fu-Yang Tian(田付阳), and Hai-Feng Song(宋海峰). 2024: The hcp-bcc transition of Be via anisotropy of modulus and sound velocity, Chinese Physics B, 33(11): 116401. doi: 10.1088/1674-1056/ad73b0
Citation: Zhen Yang(杨真), Jia-Wei Xian(咸家伟), Xing-Yu Gao(高兴誉), Fu-Yang Tian(田付阳), and Hai-Feng Song(宋海峰). 2024: The hcp-bcc transition of Be via anisotropy of modulus and sound velocity, Chinese Physics B, 33(11): 116401. doi: 10.1088/1674-1056/ad73b0
shu

The hcp-bcc transition of Be via anisotropy of modulus and sound velocity

  • 1 Institute of Applied Physics, University of Science and Technology Beijing, Beijing 100083, China;

  • 2 National Laboratory of Computational Physics, Institute of Applied Physics and Computational Mathematics, Beijing 100088, China

  • Received Date: 17/05/2024
    Accepted Date: 09/08/2024
  • Fund Project:

    This work was supported by the National Natural Science Foundation of China (Grant Nos. U23A20537, U2230401, and 52371174) and Funding of National Key Laboratory of Computational Physics.

  • PACS: 64.70.-p; 46.25.Hf; 46.40.-f; 46.25.Cc

  • Based on ab initio calculations, we utilize the mean-field potential approach with the quantum modification in conjunction 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.
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The hcp-bcc transition of Be via anisotropy of modulus and sound velocity

  • Received Date: 17/05/2024
  • Accepted Date: 09/08/2024
Fund Project: 

Abstract: Based on ab initio calculations, we utilize the mean-field potential approach with the quantum modification in conjunction 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.

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