Jurgen Horbach, Walter Kob
Published 1999-04-06Version 1
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.
Comments: 7 pages of Latex, 3 figures
Journal: Phil. Mag. B, 79, 1981 (1999)
Frequency Dependent Specific Heat of Amorphous Silica: A Molecular Dynamics Computer Simulation
Structural and dynamical properties of sodium silicate melts: An investigation by molecular dynamics computer simulation
Finite-size corrections for the static structure factor of a liquid slab with open boundaries
