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...

書誌詳細
主要な著者:	Reinhardt, A, Doye, J
フォーマット:	Journal article
言語:	English
出版事項:	American Institute of Physics 2012

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