M. Benoit

activity

20012019

most citedStructural properties of a calcium aluminosilicate glass from molecular-dynamics simulations: A finite size effects study

133 citations · 617 across the 9 of their papers we have counts for

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Showing 2004Show all

2 papers · 1 filter

cond-mat.dis-nn2004★ 43 cited

First-principles molecular-dynamics simulations of a hydrous silica melt: Structural properties and hydrogen diffusion mechanism

Markus Poehlmann, Magali Benoit, Walter Kob

We use {\it ab initio} molecular dynamics simulations to study a sample of liquid silica containing 3.84 wt.% H $_{2}$ O.We find that, for temperatures of 3000 K and 3500 K,water is al…

cond-mat.dis-nn2004★ 133 cited

Structural properties of a calcium aluminosilicate glass from molecular-dynamics simulations: A finite size effects study

Patrick Ganster, Magali Benoit, Walter Kob +1

We study a calcium aluminosilicate glass of composition (SiO $_{2}$ ) $_{0.67}$ -(Al $_{2}$ O $_{3}$ ) $_{0.12}$ -(CaO) $_{0.21}$ by means of molecular-dynamics (MD) simulations, using a potential…