Title of article
Sensitivity of structural results to initial configurations and quench algorithms of lead silicate glass
Author/Authors
Hemesath، نويسنده , , Eric and René Corrales، نويسنده , , L.، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2005
Pages
10
From page
1522
To page
1531
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.
Journal title
Journal of Non-Crystalline Solids
Serial Year
2005
Journal title
Journal of Non-Crystalline Solids
Record number
1379940
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