• 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