Molecular structural order and anomalies in liquid silica.

  title={Molecular structural order and anomalies in liquid silica.},
  author={M. Shell and P. Debenedetti and A. Panagiotopoulos},
  journal={Physical review. E, Statistical, nonlinear, and soft matter physics},
  volume={66 1 Pt 1},
  • M. Shell, P. Debenedetti, A. Panagiotopoulos
  • Published 2002
  • Materials Science, Medicine, Physics
  • Physical review. E, Statistical, nonlinear, and soft matter physics
  • The present investigation examines the relationship between structural order, diffusivity anomalies, and density anomalies in liquid silica by means of molecular dynamics simulations. We use previously defined orientational and translational order parameters to quantify local structural order in atomic configurations. Extensive simulations are performed at different state points to measure structural order, diffusivity, and thermodynamic properties. It is found that silica shares many trends… CONTINUE READING
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