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Classical nucleation theory predicts the shape of the nucleus in homogeneous solidification

Publications associées (32)

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The interfacial structure of water droplets in a hydrophobic liquid

Sylvie Roke, Nikolay Smolentsev

Nanoscopic and microscopic water droplets and ice crystals embedded in liquid hydrophobic surroundings are key components of aerosols, rocks, oil fields and the human body. The chemical properties of such droplets critically depend on the interfacial struc ...

Springer Nature2017

The Gibbs free energy of homogeneous nucleation: From atomistic nuclei to the planar limit

Michele Ceriotti, Bingqing Cheng, Gareth Aneurin Tribello

In this paper we discuss how the information contained in atomistic simulations of homogeneous nucleation should be used when fitting the parameters in macroscopic nucleation models. We show how the number of solid and liquid atoms in such simulations can ...

American Institute of Physics2017

, , ,

At the interface with solids, the mobility of liquid molecules tends to be reduced compared with bulk, often resulting in increased local order due to interactions with the surface of the solid. At room temperature, liquids such as water and methanol can f ...

Nature Publishing Group2016

A variational approach to nucleation simulation

Pablo Miguel Piaggi, Michele Parrinello

We study by computer simulation the nucleation of a supersaturated Lennard-Jones vapor into the liquid phase. The large free energy barriers to transition make the time scale of this process impossible to study by ordinary molecular dynamics simulations. T ...

Royal Soc Chemistry2016

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The properties of the interface between solid and melt are key to solidification and melting, as the interfacial free energy introduces a kinetic barrier to phase transitions. This makes solidification happen below the melting temperature, in out-of-equili ...

2015

Understanding and analyzing freezing-point transitions of confined fluids within nanopores

Kumar Varoon Agrawal

Understanding phase transitions of fluids confined within nanopores is important for a wide variety of technological applications. It is well known that fluids confined in nanopores typically demonstrate freezing-point depressions, ΔTf, described by the Gi ...

2015

NANOPARTICLES Production of amorphous nanoparticles by supersonic spray-drying with a microfluidic nebulator

Esther Amstad

Amorphous nanoparticles (a-NPs) have physicochemical properties distinctly different from those of the corresponding bulk crystals; for example, their solubility is much higher. However, many materials have a high propensity to crystallize and are difficul ...

American Association for the Advancement of Science2015

Low temperature crystallisation of mesoporous TiO2

Morgan Mertens Stefik, Stefan Guldin

Conducting mesoporous TiO2 is rapidly gaining importance for green energy applications. To optimise performance, its porosity and crystallinity must be carefully fine-tuned. To this end, we have performed a detailed study on the temperature dependence of T ...

Royal Soc Chemistry2013

Sensitivity studies of dust ice nuclei effect on cirrus clouds with the community atmosphere model CAM5

Athanasios Nenes

In this study the effect of dust aerosol on upper tropospheric cirrus clouds through heterogeneous ice nucleation is investigated in the Community Atmospheric Model version 5 (CAM5) with two ice nucleation parameterizations. Both parameterizations consider ...

2012

Influence of anisotropy on heterogeneous nucleation

Michel Rappaz, Aurèle Mariaux

Heterogeneous nucleation is governed by the interplay of interfacial energies between a substrate, a solid and a liquid. Although the intensity of these energies can strongly change with the orientation of the nucleus for anisotropic media, this parameter ...

Elsevier2011