Reconsidering the structure of nucleation theories
arXiv:1809.09834 · doi:10.1103/PhysRevE.100.052140
Abstract
We discuss the structure of the equation of motion that governs nucleation processes at first order phase transitions. From the underlying microscopic dynamics of a nucleating system, we derive by means of a non-equilibrium projection operator formalism the equation of motion for the size distribution of the nuclei. The equation is exact, i.e. the derivation does not contain approximations. To assess the impact of memory, we express the equation of motion in a form that allows for direct comparison to the Markovian limit. As a numerical test, we have simulated crystal nucleation from a supersaturated melt of particles interacting via a Lennard-Jones potential. The simulation data show effects of non-Markovian dynamics.
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Cited by in corpus (7)
- Colloidal Hard Spheres: Triumphs, Challenges and Mysteries
- Coarse-Grained Modelling Out of Equilibrium
- The Seven Deadly Sins: when computing crystal nucleation rates, the devil is in the details
- Hard sphere crystal nucleation rates: Reconciliation of simulation and experiment
- Data-driven Langevin modeling of nonequilibrium processes
- Non-Markovian systems out of equilibrium: Exact results for two routes of coarse graining
- The role of local bond-order at crystallization in a simple supercooled liquid