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      https://www.ias.ac.in/article/fulltext/boms/039/05/1319-1325

    • Keywords

       

      Magnesite; structural property; elastic property; high pressure.

    • Abstract

       

      Atomistic simulation was carried out to study the structural and elastic properties of MgCO$_3$ magnesite within the pressure range of the Earth’s mantle based on a novel force field. The lattice parameters and elasticconstants as a function of pressure up to 150 GPa are calculated. The results are in good agreement with the available experimental data and previous theoretical results, showing no phase transition over the pressure range of interest. We also found that magnesite exhibits a strong anisotropy throughout the lower mantle and that the nature of the anisotropy changes significantly with depth.

    • Author Affiliations

       

      ZI-JIANG LIU1 2 3 XIAO-WEI SUN2 TING SONG2 YUAN GUO1 CAI-RONG ZHANG4 ZHENG-RONG ZHANG1

      1. Department of Physics, Lanzhou City University, Lanzhou 730070, PR China
      2. School of Mathematics and Physics, Lanzhou Jiaotong University, Lanzhou 730070, PR China
      3. Key Laboratory of Atomic and Molecular Physics & Functional Materials of Gansu Province, Lanzhou 730070, PR China
      4. Department of Applied Physics, Lanzhou University of Technology, Lanzhou 730050, PR China
    • Dates

       
  • Bulletin of Materials Science | News

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