Free energy landscapes for homogeneous nucleation of ice for a monatomic water model.

Free energy landscapes for homogeneous nucleation of ice for a monatomic water model.

We simulate the homogeneous nucleation of ice from supercooled liquid water at 220 K in the isobaric-isothermal ensemble using the MW monatomic water potential. Monte Carlo simulations using umbrella sampling are performed in order to determine the nucleation free energy barrier. We find the Gibbs e...

Πλήρης περιγραφή

Λεπτομέρειες βιβλιογραφικής εγγραφής
Κύριοι συγγραφείς:	Reinhardt, A, Doye, J
Μορφή:	Journal article
Γλώσσα:	English
Έκδοση:	American Institute of Physics 2012

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