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Nucleation of Crystalline Phases of Water in Homogeneous and Inhomogeneous Environments

We employ two-body and three-body bond-orientational order-parameters, in conjunction with non-Boltzmann sampling to calculate the free energy barrier to nucleation of crystalline phases of water. We find that, as the coupling between the successive peaks of the direct correlation function increases...

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Pubblicato in:Phys Rev Lett
Autori principali: Radhakrishnan, Ravi, Trout, Bernhardt L.
Natura: Artigo
Lingua:Inglês
Pubblicazione: 2003
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC7376441/
https://ncbi.nlm.nih.gov/pubmed/12732077
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1103/PhysRevLett.90.158301
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