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...

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Chi tiết về thư mục
Những tác giả chính:	Reinhardt, A, Doye, J
Định dạng:	Journal article
Ngôn ngữ:	English
Được phát hành:	American Institute of Physics 2012

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