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.

Silicates, Lithium Compounds, Usage, Computer simulation, Computer-generated environments, Thermal properties

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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.

Science & research, Potassium Chloride, Research, Analysis, Molecular dynamics, Shear (Mechanics), Sodium chloride

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