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...

Полное описание

Библиографические подробности
Главные авторы:	Reinhardt, A, Doye, J
Формат:	Journal article
Язык:	English
Опубликовано:	American Institute of Physics 2012

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