Abstract
Amorphous SiO2 surfaces are generated from bulk–liquid configurations using simulations employing a polarizable-ion model. The surfaces are characterized in terms of the ion environments as a function of depth into the surface. Comparison is made to previous simulation studies and subtle differences are highlighted and attributed to differences in the potential models. The connectivity of the surface sites is established with a view to investigating the hydrolysis of this surface. Dynamical properties are calculated using a simple projected velocity time correlation function and normal mode analysis and compared to the simulated bulk and experimental bulk and surface spectra.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
