Nucleation near the eutectic point in a Potts-lattice gas model

Vishal Agarwal, Baron Peters

Research output: Contribution to journalArticlepeer-review


We use the Potts-lattice gas model to study nucleation at and near the eutectic composition. We use rare-event methods to compute the free energy landscape for the competing nucleation products, and short trajectories at the barrier top to obtain prefactors. We introduce a procedure to tune the frequency of semigrand Monte Carlo moves so that the dynamics of a small closed system roughly resemble those of an infinite system. The non-dimensionalized nucleation rates follow trends as predicted by the classical nucleation theory. Finally, we develop corrections that convert free energy surfaces from closed (canonical) simulations into free energy surfaces from open (semigrand) simulations. The new corrections extend earlier corrections to now address situations like nucleation at the eutectic point where two products nucleate competitively.

Original languageEnglish (US)
Article number084111
JournalJournal of Chemical Physics
Issue number8
StatePublished - Feb 28 2014
Externally publishedYes

ASJC Scopus subject areas

  • General Physics and Astronomy
  • Physical and Theoretical Chemistry


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