research article
Bridging the gap between atomistic and macroscopic models of homogeneous nucleation
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 atomicscale simulations and thus provide a simple and elegant framework for testing the limits of classical nucleation theory. Published by AIP Publishing.
Type
research article
Web of Science ID
WOS:000394507200008
Author(s)
Date Issued
2017
Publisher
Published in
Volume
146
Issue
3
Article Number
034106
Editorial or Peer reviewed
REVIEWED
Written at
EPFL
EPFL units
Available on Infoscience
January 21, 2017
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