Note: Homogeneous TIP4P/2005 ice nucleation at low supercooling.
We present a partial free energy profile for the homogeneous nucleation of ice using an all-atom model of water at low supercooling, at which ice growth dynamics are reasonably accessible to simulation. We demonstrate that the free energy profile is well described by classical nucleation theory, and...
| Main Authors: | , |
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| Format: | Journal article |
| Language: | English |
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2013
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| _version_ | 1826302469350621184 |
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| author | Reinhardt, A Doye, J |
| author_facet | Reinhardt, A Doye, J |
| author_sort | Reinhardt, A |
| collection | OXFORD |
| description | We present a partial free energy profile for the homogeneous nucleation of ice using an all-atom model of water at low supercooling, at which ice growth dynamics are reasonably accessible to simulation. We demonstrate that the free energy profile is well described by classical nucleation theory, and that the nucleation barrier is entropic in origin. We also estimate to first order the temperature dependence of the interfacial free energy. |
| first_indexed | 2024-03-07T05:48:01Z |
| format | Journal article |
| id | oxford-uuid:e7e07c13-04f0-4318-925c-3d8304f8f785 |
| institution | University of Oxford |
| language | English |
| last_indexed | 2024-03-07T05:48:01Z |
| publishDate | 2013 |
| record_format | dspace |
| spelling | oxford-uuid:e7e07c13-04f0-4318-925c-3d8304f8f7852022-03-27T10:42:18ZNote: Homogeneous TIP4P/2005 ice nucleation at low supercooling.Journal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:e7e07c13-04f0-4318-925c-3d8304f8f785EnglishSymplectic Elements at Oxford2013Reinhardt, ADoye, JWe present a partial free energy profile for the homogeneous nucleation of ice using an all-atom model of water at low supercooling, at which ice growth dynamics are reasonably accessible to simulation. We demonstrate that the free energy profile is well described by classical nucleation theory, and that the nucleation barrier is entropic in origin. We also estimate to first order the temperature dependence of the interfacial free energy. |
| spellingShingle | Reinhardt, A Doye, J Note: Homogeneous TIP4P/2005 ice nucleation at low supercooling. |
| title | Note: Homogeneous TIP4P/2005 ice nucleation at low supercooling. |
| title_full | Note: Homogeneous TIP4P/2005 ice nucleation at low supercooling. |
| title_fullStr | Note: Homogeneous TIP4P/2005 ice nucleation at low supercooling. |
| title_full_unstemmed | Note: Homogeneous TIP4P/2005 ice nucleation at low supercooling. |
| title_short | Note: Homogeneous TIP4P/2005 ice nucleation at low supercooling. |
| title_sort | note homogeneous tip4p 2005 ice nucleation at low supercooling |
| work_keys_str_mv | AT reinhardta notehomogeneoustip4p2005icenucleationatlowsupercooling AT doyej notehomogeneoustip4p2005icenucleationatlowsupercooling |