[S-CG49] Innovation through the Integration of Solid Earth Science and Materials Science

[SCG49-P03] Ab initio molecular-dynamics study of silicate melts under high pressures

*Satoshi Ohmura¹, Ikumi Kanemasu¹ (1.Hiroshima Institute of Technology)

Keywords:silicate melt, Molecular dynamics

Liquid silicate are known as components of magma, and elucidation of their physical properties under high pressure is an important topic in geoscience. Liquid silicate has the same SiO₄ tetrahedral network structure as liquid silica, but unlike silica, its SiO₄ tetrahedra contain non-bridging oxygen (unary oxygen). Therefore, the structural change under pressure is expected to be different from that of silica, but the details are still unknown. We have been investigated the high-pressure properties of liquid silicate from a microscopic viewpoint using ab initio molecular dynamics simulations. In the present study, we focus on diffusion properties such as viscosity, and investigate in detail the pressure dependence of these properties and their relation to the structure.