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research article

Bridging the gap between atomistic and macroscopic models of homogeneous nucleation

Cheng, Bingqing  
•
Ceriotti, Michele  
2017
The Journal of Chemical Physics

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.

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Type
research article
DOI
10.1063/1.4973883
Web of Science ID

WOS:000394507200008

Author(s)
Cheng, Bingqing  
Ceriotti, Michele  
Date Issued

2017

Publisher

American Institute of Physics

Published in
The Journal of Chemical Physics
Volume

146

Issue

3

Article Number

034106

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
COSMO  
Available on Infoscience
January 21, 2017
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/133103
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