Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
10631271 | Journal of Non-Crystalline Solids | 2005 | 10 Pages |
Abstract
The sensitivity of resulting structures to starting configurations and quench algorithms were characterized using molecular dynamics (MD) simulations. The classical potential model introduced by Damodaran, Rao, and Rao (DRR) Phys. Chem. Glasses 31 (1990) 212 for lead silicate glass was used. Glasses were prepared using five distinct initial configurations and four glass forming algorithms. In previous MD work of bulk lead silicate glasses the ability of this potential model to provide good structural results were established by comparing to experimental results. Here the sensitivity of the results to the simulation methodology and the persistence of clustering with attention to details of molecular structure are determined.
Related Topics
Physical Sciences and Engineering
Materials Science
Ceramics and Composites
Authors
Eric Hemesath, L. René Corrales,