• Fulltext

       

        Click here to view fulltext PDF


      Permanent link:
      https://www.ias.ac.in/article/fulltext/boms/035/04/0665-0672

    • Keywords

       

      Thermodynamic properties; elastic properties; MgSiO3 post-perovskite.

    • Abstract

       

      The structure, thermodynamic and elastic properties of magnesium silicate (MgSiO3) post-perovskite at high pressure are investigated with quasi-harmonic Debye model and ab initio method based on the density functional theory (DFT). The calculated structural parameters of MgSiO3 post-perovskite are consistent with the available experimental results and the recent theoretical results. The Debye temperature, heat capacity and thermal expansion coefficient at high pressures and temperatures are predicted using the quasi-harmonic Debye model. The elastic constants are calculated using stress–strain relations. A complete elastic tensor of MgSiO3 post-perovskite is determined in the wide pressure range. The calculated elastic anisotropic factors and directional bulk modulus show that MgSiO3 post-perovskite possesses high elastic anisotropy.

    • Author Affiliations

       

      Zi-Jiang Liu1 2 Xiao-Wei Sun2 Cai-Rong Zhang3 Jian-Bu Hu4 Ling-Cang Cai4 Qi-Feng Chen4

      1. Department of Physics, Lanzhou City University, Lanzhou 730070, China
      2. School of Mathematics and Physics, Lanzhou Jiaotong University, Lanzhou 730070, China
      3. State Key Laboratory of Gansu Advanced Non-ferrous Metal Materials, Lanzhou University of Technology, Lanzhou 730050, China
      4. Laboratory for Shock Wave and Detonation Physics Research, Institute of Fluid Physics, Academy of Engineering Physics, PO Box 919-102, Mianyang 621900, China
    • Dates

       
  • Bulletin of Materials Science | News

    • Editorial Note on Continuous Article Publication

      Posted on July 25, 2019

      Click here for Editorial Note on CAP Mode

© 2017-2019 Indian Academy of Sciences, Bengaluru.