Abstract
Abstract A molecular dynamics (MD) simulation of the lithium metasilicate (Li2SiO3) system has been performed to study the dynamics and geometrical structure of a liquid state at 1673 K and a glassy state at 700 K. The long term dynamics of the glassy state is shown for the self-part of the van Hove correlation functions. In the glassy state, diffusion of lithium ion was found to occur mainly through jump motions among equilibrium sites surrounded by oxygen atoms. A geometric structural analysis with polyhedra made of oxygen atoms around lithium was applied to characterize the structure and dynamical behavior.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Disclaimer: 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.