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cond-mat.mtrl-sci2025
Intrinsic Limitation of Conductivity in Depolymerized Sodium-ion Glassy Networks
Léo Legrand, Louis-Martin Poitras, Nicolas Sator +1
The electric properties of a model fast-ion electrolyte ((100-x)SiS2-xNa2S) glass are investigated by means of classical molecular dynamics simulations. These systems appear promis…
cond-mat.mtrl-sci2012
Viscosity and viscosity anomalies of model silicates and magmas: a numerical investigation
M. Bauchy, B. Guillot, M. Micoulaut +1
We present results for transport properties (diffusion and viscosity) using computer simulations. Focus is made on a densified binary sodium disilicate 2SiO-NaO (NS2) liqui…
cond-mat.mtrl-sci2011★ 12 cited
Electronic redistribution around oxygen atoms in silicate melts by ab initio molecular dynamics simulation
R. Vuilleumier, N. Sator, B. Guillot
The structure around oxygen atoms of four silicate liquids (silica, rhyolite, a model basalt and enstatite) is evaluated by ab initio molecular dynamics simulation. Thanks to the u…