journal article·2005-06

Sensitivity of structural results to initial configurations and quench algorithms of lead silicate glass

Eric Hemesath, L. René Corrales

Journal of Non-Crystalline Solids· Volume 351· Issue 18
Publisher page

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.
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Research context

OpenAlex topics: Glass properties and applications · Theoretical and Computational Physics · Material Dynamics and Properties

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