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

The structure, structural change and micro-phase separation in liquid MgSiO 3 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 ph...

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Bibliographic Details
Published in:The European physical journal. B, Condensed matter physics Condensed matter physics, 2016-03, Vol.89 (3), p.1-10, Article 73
Main Authors: San, Luyen Thi, Van Hong, Nguyen, Iitaka, Toshiaki, Hung, Pham Khac
Format: Article
Language:English
Subjects:
Complex Systems
Condensed Matter Physics
Data compression
Degree of polymerization
Enstatite
Fluid- and Aerodynamics
Molecular dynamics
Molecular structure
Phase separation
Phase transitions
Physics
Physics and Astronomy
Regular Article
Solid State Physics
Topology
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Summary:The structure, structural change and micro-phase separation in liquid MgSiO 3 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 MgSiO 3 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.
ISSN:1434-6028
1434-6036
DOI:10.1140/epjb/e2016-60740-4