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...
| Những tác giả chính: | , |
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| Định dạng: | Journal article |
| Ngôn ngữ: | English |
| Được phát hành: |
American Institute of Physics
2012
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