Japan Association of Mineralogical Sciences

Silicate liquids are not minerals but interest mineralogists sometimes.However, their lack of periodicity makes it difficult to investigate their dynamics and structural properties.Molecular dynamics simulation (MD) is not real, just numerical simulations, but enables us to approach the behaviour of atoms in silicate liquids.It has been more than 40 years since force-field MD simulations of silicate liquids were conducted (Woodcock et al. 1976;Matsui and Kawamura 1980).At that time, the systems consisted of several hundreds of particles, as in the recent ab-initio MD simulations (Ho et al. 2023).Force-field MD simulation recently can handle 10 4-5 particles even though simulations are performed on "personal" computers.An increase in system size enables us not only to avoid finite-size effects but also to obtain well-statistically averaged data even with slightly complex properties.Here, I introduce some analysis of dynamics and structural properties from MD simulation data of simple silicate liquids/glasses. Diffusion dynamics of network-forming elements in silicate liquidsElEmEnts