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Computer Simulation Studies of Fracture in Vitreous Silica

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Abstract

We conduct molecular dynamics computer simulations of fracture in silica glass using the van Beest, Kramer, and van Santen model. Stress is applied by uniaxial strain at differentpulling rates. Comparisons withprevious fracture simulations of silica that used the Soules force function arepresented. We find that in both models stress is relieved by rotation of the (SiO4)-2 tetrahedrons, increasing Si-O-Si bonding angles, and only small changes in the tetrahedron dimensions and O-Si-O angles.

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Authors and Affiliations

  1. Department of physics, The College of New Jersey, Ewing, NJ, 08628, USA

    Romulo Ochoa, Michael Arief & Joseph H. Simmons

  2. Department of Materials Science and Engineering, University of Arizona, Tucson, AZ, 85721, USA

    Romulo Ochoa

Authors
  1. Romulo Ochoa
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  2. Michael Arief
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  3. Joseph H. Simmons
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Ochoa, R., Arief, M. & Simmons, J.H. Computer Simulation Studies of Fracture in Vitreous Silica. MRS Online Proceedings Library 731, 517 (2002). https://doi.org/10.1557/PROC-731-W5.17

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  • DOI: https://doi.org/10.1557/PROC-731-W5.17

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