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Descripción
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| Understanding the effect of electric fields on the thermal stability and phase transitions of water could have potential applications in the food industry, cryopreservation, and environmental science. In this work, we investigate the effect of a static electric field on the melting temperature, ice nucleation and ice growth rate of two phases of ice, hexagonal ice (Ih) and ferroelectric cubic ice (Icf), for TIP4P/2005 and TIP4P/ICE water models. By means of direct coexistence simulations, we establish that the melting temperature of Ice Ih is shifted toward lower values, whereas the melting point of Ice Icf grows, becoming the most stable ice phase for sufficiently large values of the applied electric field. We also investigate ice nucleation for both ice phases under an external electric field and find that, for a given supercooling with respect to the melting point, while the field slows down the nucleation rate of ice Ih significantly, it barely affects that of ice Icf, due to the enhanced ability of water molecules to orient favorably along the direction of the field in the latter phase. In terms of absolute temperature, overall ice formation is promoted by the electric field because it increases the melting point of ice Icf. Finally, we show how the electric field slows down the crystal growth of both phases of ice by a factor of about two. | |
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Internacional
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Si |
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Nombre congreso
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254th American Chemical Society National Meeting & Exposition - ACS Fall 2017 |
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Tipo de participación
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970 |
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Lugar del congreso
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Washington DC, EE.UU. |
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Revisores
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ISBN o ISSN
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DOI
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Fecha inicio congreso
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20/08/2017 |
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Fecha fin congreso
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24/08/2017 |
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