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Supercooled water: A molecular dynamics simulation study with a polarizable potential (Articolo in rivista)
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- Label
- Supercooled water: A molecular dynamics simulation study with a polarizable potential (Articolo in rivista) (literal)
- Anno
- 2006-01-01T00:00:00+01:00 (literal)
- Alternative label
Minozzi, M; Gallo, P; Rovere, M (2006)
Supercooled water: A molecular dynamics simulation study with a polarizable potential
in Journal of molecular liquids (Print)
(literal)
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- Minozzi, M; Gallo, P; Rovere, M (literal)
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- ISI Web of Science (WOS) (literal)
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- Univ Roma Tre, Dipartimento Fis, I-00146 Rome, Italy; INFM Democritos Natl Simulat Ctr, I-00146 Rome, Italy (literal)
- Titolo
- Supercooled water: A molecular dynamics simulation study with a polarizable potential (literal)
- Abstract
- The behaviour of supercooled water in an extended region of the phase diagram, from ambient conditions to negative pressure and low temperatures, is studied by computer simulation employing a polarizable water potential. The structural analysis of the system shows that the polarizable potential chosen well reproduces the water properties even in extreme conditions and allows us to perform a more detailed thermodynamical analysis. In order to infer features of the phase diagram relevant for the explanation of the anomalous behaviour of metastable water, the density dependence of pressure was analyzed to investigate the pathway of the spinodal line with the decreasing temperature. (C) 2006 Elsevier B.V. All rights reserved. (literal)
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