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Note: Homogeneous TIP4P/2005 ice nucleation at low supercooling.

Abstract:
We present a partial free energy profile for the homogeneous nucleation of ice using an all-atom model of water at low supercooling, at which ice growth dynamics are reasonably accessible to simulation. We demonstrate that the free energy profile is well described by classical nucleation theory, and that the nucleation barrier is entropic in origin. We also estimate to first order the temperature dependence of the interfacial free energy.
Publication status:
Published

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Publisher copy:
10.1063/1.4819898
Journal:
Journal of chemical physics More from this journal
Volume:
139
Issue:
9
Pages:
096102
Publication date:
2013-09-01
DOI:
EISSN:
1089-7690
ISSN:
0021-9606
Language:
English
Keywords:
Pubs id:
pubs:407539
UUID:
uuid:e7e07c13-04f0-4318-925c-3d8304f8f785
Local pid:
pubs:407539
Source identifiers:
407539
Deposit date:
2013-09-26

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