Publication

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

Publications associées (28)

Dynamics of methane dissociation on transition metals

One of the many contributions of Harold Winters to surface science was his pioneering ultrahigh vacuum study on the kinetics of the technologically important dissociation of CH4 on transition metals in the 1970s. He observed a dramatic activation of the di ...

A V S Amer Inst Physics2017

Thermally-nucleated self-assembly of water and alcohol into stable structures at hydrophobic interfaces

Francesco Stellacci, Kislon Voitchovsky, Michele Ceriotti, Daniele Giofré

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

Michele Parrinello, Pablo Miguel Piaggi

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

Computer modelling of the surface tension of the gas-liquid and liquid-liquid interface

Dominic John Tildesley

This review presents the state of the art in molecular simulations of interfacial systems and of the calculation of the surface tension from the underlying intermolecular potential. We provide a short account of different methodological factors (size-effec ...

Royal Society of Chemistry2016

Solid-liquid interfacial free energy out of equilibrium

Michele Ceriotti, Bingqing Cheng, Gareth Aneurin Tribello

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

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

Contact angle and adsorption energies of nanoparticles at the air-liquid interface determined by neutron reflectivity and molecular dynamics

Francesco Stellacci, Javier Reguera Gomez, Mauro Moglianetti, Evgeniy Ponomarev

Understanding how nanomaterials interact with interfaces is essential to control their self-assembly as well as their optical, electronic, and catalytic properties. We present here an experimental approach based on neutron reflectivity (NR) that allows the ...

Royal Society of Chemistry2015

Crystallization of undercooled liquid fenofibrate

Esther Amstad

Formulation of hydrophobic drugs as amorphous materials is highly advantageous as this increases their solubility in water and therefore their bioavailability. However, many drugs have a high propensity to crystallize during production and storage, limitin ...

Royal Society of Chemistry2015