111 citations · 605 across the 17 of their papers we have counts for
17 papers
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…
Electrostatic interactions in water: nonlocal electrostatic approach
M. Vatin, A. Porro, N. Sator +2
Can we avoid molecular dynamics simulations to estimate the electrostatic interaction between charged objects separated by a nanometric distance in water? To answer this question,…
Noble gases in carbonate melts: constraints on the solubility and the surface tension by molecular dynamics simulation
Elsa Desmaele, Nicolas Sator, Bertrand Guillot
Although they are rare elements in the Earth's mantle, noble gases (NG) owe to their strongly varying masses contrasting physical behaviors making them important geochemical tracer…
The MgCO-CaCO-LiCO-NaCO-KCO Carbonate Melts: Thermodynamics and Transport Properties by Atomistic Simulations
Elsa Desmaele, Nicolas Sator, Rodolphe Vuilleumier +1
Atomistic simulations provide a meaningful way to determine the physico-chemical properties of liquids in a consistent theoretical framework. This approach takes on particular usef…
Atomistic simulations of molten carbonates: thermodynamic and transport properties of the Li2CO3-Na2CO3-K2CO3 system
Elsa Desmaele, Nicolas Sator, Rodolphe Vuilleumier +1
Although molten carbonates only represent, at most, a very minor phase in the Earth's mantle, they are thought to be implied in anomalous high-conductivity zones in its upper part…
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…