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 …

The structural and interfacial properties of nanoscopic liquid drops are assessed by means
of mechanical, thermodynamical, and statistical mechanical approaches that are discussed …

In this paper, the solubility of methane in water along the 400 bar isobar is determined by
computer simulations using the TIP4P/Ice force field for water and a simple LJ model for …

Liquid water at atmospheric pressure can be supercooled to− 41° C (ref.) and superheated
to+ 302° C (ref.). Experiments involving fluid inclusions of water in quartz suggest that water …

The application of the Young–Laplace equation to a solid–liquid interface is considered.
Computer simulations show that the pressure inside a solid cluster of hard spheres is …

As a rule, mean-field theories applied to a fluid that can undergo a transition from saturated
vapor at density ρ υ to a liquid at density ρ ℓ yield a van der Waals loop. For example …

Tetrahedral interactions describe the behavior of the most abundant and technologically
important materials on Earth, such as water, silicon, carbon, germanium, and countless …

The validity of the Classical Nucleation Theory (CNT), the standard tool for describing and
predicting nucleation kinetics in metastable systems, has been under scrutiny for almost a …

The concept of swim pressure quantifies the average force exerted by microswimmers on
confining walls in nonequilibrium. Here we explore how the swim pressure depends on the …

Molecular dynamics simulations of cavitation in a Zr 50 Cu 50 metallic glass exhibit a waiting
time dependent cavitation rate. On short time scales nucleation rates and critical cavity sizes …