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Molecular Simulation Volume 30, 2004 - Issue 2-3: Yangtze Conference on Fluids and Interfaces(Part Three of Three)
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Original Articles

The Ice/Water Interface: Density–Temperature Phase Diagram for the SPC/E Model of Liquid Water

Taras Bryk Institute for Condensed Matter Physics, National Academy of Sciences of Ukraine, 1 Svientsitskii Street, UA-79011, Lviv, Ukraine
&
A.D.J. Haymet CSIRO Marine Research, GPO Box, TAS, 7001, Hobart, AustraliaCorrespondence[email protected]
Pages 131-135 | Received 01 Oct 2002, Accepted 01 Jan 2003, Published online: 17 May 2006

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Andrei V. Egorov, Elena N. Brodskaya & Aatto Laaksonen. (2008) Molecular Dynamics Simulation Study of Solid‐Liquid Phase Transition in Water Clusters. The Effect of Cluster Size. Synthesis and Reactivity in Inorganic, Metal-Organic, and Nano-Metal Chemistry 38:1, pages 62-68.
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Carlos Vega, Maria Martin-Conde & Andrzej Patrykiejew. (2006) Absence of superheating for ice with a free surface: a new method of determining the melting point of different water models. Molecular Physics 104:22-24, pages 3583-3592.
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Yitian Gao, Hongwei Fang & Ke Ni. (2021) A hierarchical clustering method of hydrogen bond networks in liquid water undergoing shear flow. Scientific Reports 11:1.
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Junko Habasaki. (2019) Heterogeneous–homogeneous transition and anomaly of density in SPC/E water examined by molecular dynamics simulations. Physica A: Statistical Mechanics and its Applications 527, pages 121391.
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M. M. Conde, M. A. Gonzalez, J. L. F. Abascal & C. Vega. (2013) Determining the phase diagram of water from direct coexistence simulations: The phase diagram of the TIP4P/2005 model revisited. The Journal of Chemical Physics 139:15.
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C Vega, E Sanz, J L F Abascal & E G Noya. (2008) Determination of phase diagrams via computer simulation: methodology and applications to water, electrolytes and proteins. Journal of Physics: Condensed Matter 20:15, pages 153101.
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C. Robert Olien & David P. LivingstonIIIIII. (2006) Understanding freeze stress in biological tissues: Thermodynamics of interfacial water. Thermochimica Acta 451:1-2, pages 52-56.
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Pál Jedlovszky, Lívia Pártay, Paul N. M. Hoang, Sylvain Picaud, Philipp von Hessberg & John N. Crowley. (2006) Determination of the Adsorption Isotherm of Methanol on the Surface of Ice. An Experimental and Grand Canonical Monte Carlo Simulation Study. Journal of the American Chemical Society 128:47, pages 15300-15309.
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Ramón García Fernández, José L. F. Abascal & Carlos Vega. (2006) The melting point of ice Ih for common water models calculated from direct coexistence of the solid-liquid interface. The Journal of Chemical Physics 124:14.
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J. L. F. Abascal & C. Vega. (2005) A general purpose model for the condensed phases of water: TIP4P/2005. The Journal of Chemical Physics 123:23.
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C. Vega & J. L. F. Abascal. (2005) Relation between the melting temperature and the temperature of maximum density for the most common models of water. The Journal of Chemical Physics 123:14.
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Carl McBride, Carlos Vega & Eduardo Sanz. (2005) Non-Markovian melting: a novel procedure to generate initial liquid like phases for small molecules for use in computer simulation studies. Computer Physics Communications 170:2, pages 137-143.
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Ivan Brovchenko, Alfons Geiger & Alla Oleinikova. (2005) Liquid-liquid phase transitions in supercooled water studied by computer simulations of various water models. The Journal of Chemical Physics 123:4.
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E. J. Smith, T. Bryk & A. D. J. Haymet. (2005) Free energy of solvation of simple ions: Molecular-dynamics study of solvation of Cl− and Na+ in the ice/water interface. The Journal of Chemical Physics 123:3.
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J. Wang, S. Yoo, J. Bai, James R. Morris & X. C. Zeng. (2005) Melting temperature of ice Ih calculated from coexisting solid-liquid phases. The Journal of Chemical Physics 123:3.
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J. L. F. Abascal, E. Sanz, R. García Fernández & C. Vega. (2005) A potential model for the study of ices and amorphous water: TIP4P/Ice. The Journal of Chemical Physics 122:23, pages 234511.
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C. Vega, E. Sanz & J. L. F. Abascal. (2005) The melting temperature of the most common models of water. The Journal of Chemical Physics 122:11.
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Carlos Vega, Carl McBride, Eduardo Sanz & Jose L. F. Abascal. (2005) Radial distribution functions and densities for the SPC/E, TIP4P and TIP5P models for liquid water and ices Ih, Ic, II, III, IV, V, VI, VII, VIII, IX, XI and XII. Physical Chemistry Chemical Physics 7:7, pages 1450.
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A. D. J. Haymet, T. Bryk & E. J. Smith. 2005. Ionic Soft Matter: Modern Trends in Theory and Applications. Ionic Soft Matter: Modern Trends in Theory and Applications 333 359 .

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