Brute-force nucleation rates of hard spheres compared with rare-event methods and classical nucleation theory

Abstract

We determine the nucleation rates of hard spheres using brute-force molecular dynamics simulations. We overcome nucleation barriers of up to $28k_{B}T$, leading to a rigorous test of nucleation rates obtained from rare-event methods and classical nucleation theory. Our brute-force nucleation rates show excellent agreement with umbrella sampling simulations by Filion et al. [J. Chem. Phys. 133, 244115 (2010)] and seeding simulations by Espinosa et al. [J. Chem. Phys. 144, 034501 (2016)].

References in corpus (1)

• On the reaction coordinate for seeded crystallisation

Cited by in corpus (3)

• Variational Umbrella Seeding for Calculating Nucleation Barriers
• Finding the Differences: Classical Nucleation Perspective on Homogeneous Melting and Freezing of Hard Spheres
• Kinetic phase diagram for two-step nucleation in colloid-polymer mixtures