Relaxation and physical aging in network glasses: a review
M Micoulaut - Reports on Progress in Physics, 2016 - iopscience.iop.org
Recent progress in the description of glassy relaxation and aging are reviewed for the wide
class of network-forming materials such as GeO 2, Ge x Se 1− x, silicates (SiO 2–Na 2 O) or …
class of network-forming materials such as GeO 2, Ge x Se 1− x, silicates (SiO 2–Na 2 O) or …
[HTML][HTML] Interatomic potentials for oxide glasses: Past, present, and future
The continuous development and improvement of interatomic potential models for oxide
glasses have made classical molecular dynamics a powerful computational technique …
glasses have made classical molecular dynamics a powerful computational technique …
Experimental method to quantify the ring size distribution in silicate glasses and simulation validation thereof
Silicate glasses have no long-range order and exhibit a short-range order that is often fairly
similar to that of their crystalline counterparts. Hence, the out-of-equilibrium nature of …
similar to that of their crystalline counterparts. Hence, the out-of-equilibrium nature of …
A new transferable interatomic potential for molecular dynamics simulations of borosilicate glasses
Borosilicate glasses are traditionally challenging to model using atomic scale simulations
due to the composition and thermal history dependence of the coordination state of B atoms …
due to the composition and thermal history dependence of the coordination state of B atoms …
[HTML][HTML] Cooling rate effects in sodium silicate glasses: Bridging the gap between molecular dynamics simulations and experiments
Although molecular dynamics (MD) simulations are commonly used to predict the structure
and properties of glasses, they are intrinsically limited to short time scales, necessitating the …
and properties of glasses, they are intrinsically limited to short time scales, necessitating the …
Structural, vibrational, and elastic properties of a calcium aluminosilicate glass from molecular dynamics simulations: the role of the potential
M Bauchy - The Journal of chemical physics, 2014 - pubs.aip.org
We study a calcium aluminosilicate glass of composition (SiO 2) 0.60 (Al 2 O 3) 0.10 (CaO)
0.30 by means of molecular dynamics. To this end, we conduct parallel simulations …
0.30 by means of molecular dynamics. To this end, we conduct parallel simulations …
Insights into magma ocean dynamics from the transport properties of basaltic melt
The viscosity of magma plays a crucial role in the dynamics of the Earth: from the
crystallization of a magma ocean during its initial stages to modern-day volcanic processes …
crystallization of a magma ocean during its initial stages to modern-day volcanic processes …
Anomalous composition-dependent dynamics of nanoconfined water in the interlayer of disordered calcium-silicates
With shear interest in nanoporous materials, the ultraconfining interlayer spacing of calcium–
silicate–hydrate (C–S–H) provides an excellent medium to study reactivity, structure, and …
silicate–hydrate (C–S–H) provides an excellent medium to study reactivity, structure, and …
Revisiting silica with ReaxFF: Towards improved predictions of glass structure and properties via reactive molecular dynamics
Reactive potentials, like ReaxFF, are becoming increasingly popular and are expected to
bridge the gap between ab initio and classical molecular dynamics simulations. Yet, their …
bridge the gap between ab initio and classical molecular dynamics simulations. Yet, their …
Order and disorder in calcium–silicate–hydrate
Despite advances in the characterization and modeling of cement hydrates, the atomic order
in Calcium–Silicate–Hydrate (C–S–H), the binding phase of cement, remains an open …
in Calcium–Silicate–Hydrate (C–S–H), the binding phase of cement, remains an open …