Regensburg 2019 – wissenschaftliches Programm
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DY: Fachverband Dynamik und Statistische Physik
DY 50: Poster: Nonlinear Systems, Patterns, Flows ..
DY 50.1: Poster
Donnerstag, 4. April 2019, 15:00–18:00, Poster B2
Relaxation of hydrogen bond network in water subject to an E-field — •Andreas Baer1, David Matthew Smith2,3, and Ana-Sunčana Smith1,2 — 1PULS Group at the Institute for Theoretical Physics, FAU Erlangen-Nürnberg, Germany — 2Division of Physical Chemistry, Institute Ruđer Bošcović, Zagreb, Croatia — 3Computer Chemistry Center, FAU Erlangen-Nürnberg, Germany
Most of the amazing properties of liquid water stem from the fluctuations in the uninterrupted network of hydrogen bonded molecules.1 One such phenomena is the splitting of transport coefficients in an electric field, which is not yet understood from the microscopic point of view. We address this by investigating the influence of an externally imposed electric field on liquid water at ambient conditions with the use of extensive molecular dynamics and rigorous statistical analysis.2 The time dependent stress relaxations are related to different individual and cooperative motions of water molecules, identifying a filed-induced relaxation, occurring on the picosecond time scale, which was hitherto not reported in the literature. This process is shown to be primarily responsible for the anisotropic splitting of the shear viscosity in electric fields. It is further associated with cooperative transitions of several hydrogen bonded water molecules between the states of zero torque imposed by the field.3 [1] Luzar, A.; Chandler, D. Nature 1996 379, 55-57. [2] Milicevic Z., Marrink S. J., Smith A.-S., Smith D. M. J. Mol. Mod. 2014 20, 2359 [3] Baer A., Milicevic Z., Smith D. M., Smith A.-S., submitted