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Thermal stability of aluminum oxide nanoparticles: role of oxygen concentration
(ROYAL SOC CHEMISTRY, 2019)
Oxygen absorption and the thermal stability of Al-147 nanoparticles were studied by means of classical molecular dynamics simulations and Monte Carlo methods. The results suggest that for the studied sizes, oxygen incorporation ...
The stability of hollow nanoparticles and the simulation temperature ramp
(ROYAL SOC CHEMISTRY, 2018)
Hollow nanoparticles (hNPs) are of interest because their large cavities and small thickness give rise to a large surface to volume ratio. However, in general they are not in equilibrium and far from their global energy ...