468 citations · 8.1k across the 126 of their papers we have counts for
5 papers · 1 filter
Waterlike thermodynamic anomalies in a repulsive-step potential system
N. V. Gribova, Yu. D. Fomin, Daan Frenkel +1
We report a computer-simulation study of the equilibrium phase diagram of a three-dimensional system of particles with a repulsive step potential. The phase diagram is obtained usi…
Phase diagram of Hertzian spheres
Josep C. Pàmies, Angelo Cacciuto, Daan Frenkel
We report the phase diagram of interpenetrating Hertzian spheres. The Hertz potential is purely repulsive, bounded at zero separation, and decreases monotonically as a power law wi…
Homogeneous nucleation under shear in a two-dimensional Ising model: cluster growth, coalescence and breakup
Rosalind J. Allen, Chantal Valeriani, Sorin Tanase-Nicola +2
We compute rates and pathways for nucleation in a sheared two dimensional Ising model with Metropolis spin flip dynamics, using Forward Flux Sampling (FFS). We find a peak in the n…
Dynamical heterogeneity in a glass forming ideal gas
Patrick Charbonneau, Chinmay Das, Daan Frenkel
We conduct a numerical study of the dynamical behavior of a system of three-dimensional crosses, particles that consist of three mutually perpendicular line segments rigidly joined…
State-of-the-art models for the phase diagram of carbon and diamond nucleation
Luca M. Ghiringhelli, C. Valeriani, J. H. Los +3
We review recent developments in the modelling of the phase diagram and the kinetics of crystallization of carbon. In particular, we show that a particular class of bond-order pote…