Structural organization, micro-phase separation and polyamorphism of liquid MgSiO3 under compression

  • Luyen Thi San
  • Nguyen Van Hong
  • Toshiaki Iitaka
  • Pham Khac Hung
Regular Article

DOI: 10.1140/epjb/e2016-60740-4

Cite this article as:
San, L., Van Hong, N., Iitaka, T. et al. Eur. Phys. J. B (2016) 89: 73. doi:10.1140/epjb/e2016-60740-4

Abstract

The structure, structural change and micro-phase separation in liquid MgSiO3 under pressure are studied by molecular dynamics simulation with pair-wise potentials. Models consisting of 5000 atoms are constructed at 3500 K in the 0–30 GPa pressure range. The structural organization and structural phase transition under compression as well as network topology of liquid MgSiO3 are clarified through analysis and visualization of molecular dynamics simulation data. The short-range structure, intermediate-range structure and the degree of polymerization as well as structural, compositional and dynamical heterogeneities are also discussed in detail.

Keywords

Solid State and Materials 

Copyright information

© EDP Sciences, SIF, Springer-Verlag Berlin Heidelberg 2016

Authors and Affiliations

  • Luyen Thi San
    • 1
  • Nguyen Van Hong
    • 1
    • 2
  • Toshiaki Iitaka
    • 2
  • Pham Khac Hung
    • 1
  1. 1.Hanoi University of Science and TechnologyHanoiVietnam
  2. 2.Computational Astrophysics LaboratorySaitamaJapan

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