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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

Authors


Journal:
Journal of chemical physics
Volume:
139
Issue:
9
Pages:
096102
Publication date:
2013-09-01
DOI:
EISSN:
1089-7690
ISSN:
0021-9606
Source identifiers:
429510
Language:
English
Pubs id:
pubs:429510
UUID:
uuid:872d9b3c-e557-431e-9116-740f1c60d19c
Local pid:
pubs:429510
Deposit date:
2013-11-16

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