The Structure and Dynamics of Sodium Disilicate
Jurgen Horbach, Walter Kob (Institute of Physics, Mainz, Germany)
TL;DR
This paper uses molecular dynamics simulations to study sodium disilicate, revealing its partially disrupted tetrahedral network and superstructure, with results aligning well with neutron scattering data, and discusses finite size effects on dynamics.
Contribution
It provides new insights into the structure and dynamics of sodium disilicate through detailed simulation and comparison with experimental data.
Findings
Structure is a partially destroyed tetrahedral network
Static structure factor matches neutron scattering results
Finite size effects influence the dynamics and boson peak modes
Abstract
We investigate the structure and dynamics of sodium disilicate by means of molecular dynamics computer simulation. We show that the structure is described by a partially destroyed tetrahedral SiO_4 network and a spherical super structure formed by the silicon and sodium atoms. The static structure factor of our simulation is in very good agreement with one from a neutron scattering experiment. For 1008 particles we find strong finite size effects in the dynamics which are due to the missing of modes contributing to the boson peak.
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