Microscopic description of the low-temperature anomalies in silica and lithium silicate via computer simulations
Article Abstract:
Information about the nature of the low-temperature anomalies and in particular the properties of the tunneling systems in silica and lithium glasses are revealed through computer simulations. Three different types of double-well potentials (DWPs) are distinguished, related to perfectly coordinated silica, intrinsic silica defects, and extrinsic defects.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
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Molecular dynamics simulation of the shear viscosity of molten alkali halides
Article Abstract:
Equilibrium molecular dynamics (EMD) Green-Kurbo simulations of the shear viscosity coefficient of molten sodium chloride and potassium chloride are reported in the microcanonical ensemble (N,V,E). The potential model used is the Born-Mayer-Huggins-Tosi-Fumi interionic potential, and several state points, are investigated.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2004
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