https://doi.org/10.1140/epjb/e2016-60740-4
Regular Article
Structural organization, micro-phase separation and polyamorphism of liquid MgSiO3 under compression
1 Hanoi University of Science and
Technology, Hanoi,
Vietnam
2 Computational Astrophysics
Laboratory, RIKEN,
Saitama
351-0198,
Japan
a e-mail: hong.nguyenvan@hust.edu.vn
Received:
11
September
2015
Received in final form:
6
January
2016
Published online:
21
March
2016
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.
Key words: Solid State and Materials
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 2016
