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 (3)

• Heterogeneous versus homogeneous crystal nucleation in hard spheres
• Hard sphere crystal nucleation rates: Reconciliation of simulation and experiment
• On the reaction coordinate for seeded crystallisation

Cited by in corpus (8)

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• Finding the Differences: Classical Nucleation Perspective on Homogeneous Melting and Freezing of Hard Spheres
• Variational Umbrella Seeding for Calculating Nucleation Barriers
• Statistical mechanics of crystal nuclei of hard spheres
• The Mechanics of Nucleation and Growth and the Surface Tensions of Active Matter
• Crystal nucleation rates in one-component Yukawa systems
• Kinetic phase diagram for two-step nucleation in colloid-polymer mixtures
• Deriving Reliable Nucleation Rates from Metadynamics Simulations: Application to Yukawa Fluids