The Structural Phase Transition, Degree of Polymerization and Dynamics Characteristics of Liquid Magnesium Silicate: A Molecular Dynamics Simulation
Pham Huu Kien,
Phan Dinh Quang,
Vu Van Anh
et al.
Abstract:In this paper, the structural phase transitions, degree of polymerization, and dynamics characteristics in liquid magnesium silicate (Mg2SiO4) under pressure have been studied using molecular dynamics (MD) simulation. The results indicate that the structure of Mg2SiO4 liquid includes MgOy (y = 3, 4,…8) basic units distributed in the Si-O structure network that powerfully depend on pressure. In the range 28-32 GPa, the Si-O structure network causes structural transformation from SiO4 to SiO6 via SiO5 units. Mg-… Show more
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