Thermal Conductivity of Supercooled Water: An Equilibrium Molecular Dynamics Exploration

NJ English and JS Tse, JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 5, 3819-3824 (2014).

DOI: 10.1021/jz5016179

The thermal conductivity of both supercooled and ambient-temperature water at atmospheric pressure has been computed over the 140 270 K temperature range for three popular water models via equilibrium molecular dynamics in the Green-Kubo setting. No strong temperature dependence of thermal conductivity was observed. The underlying phonon modes contributing to thermal conduction processes have been examined in the present work, and it has been established that (translational) acoustic modes dominate in supercooled water.

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