title: Bridging the gap between atomistic and macroscopic models of homogeneous nucleation.
abstract: Macroscopic theories of nucleation such as classical nucleation theory envision that clusters of the bulk stable phase form inside the bulk metastable phase. Molecular dynamics simulations are often used to elucidate nucleation mechanisms, by capturing the microscopic configurations of all the atoms. In this paper, we introduce a thermodynamic model that links macroscopic theories and atomic-scale simulations and thus provide a simple and elegant framework for testing the limits of classical nucleation theory.
authors.affiliation: Laboratory of Computational Science and Modeling, Institute of Materials, École Polytechnique Fédérale de Lausanne, Lausanne 1015, Switzerland.
authors.forename: Bingqing
authors.initials: B
authors.lastname: Cheng
authors.affiliation: Laboratory of Computational Science and Modeling, Institute of Materials, École Polytechnique Fédérale de Lausanne, Lausanne 1015, Switzerland.
authors.forename: Michele
authors.identifier: 0000000325712832
authors.initials: M
authors.lastname: Ceriotti