SKM 2023 – wissenschaftliches Programm

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DY: Fachverband Dynamik und Statistische Physik

DY 44: Poster: Statistical Physics

DY 44.20: Poster

Donnerstag, 30. März 2023, 13:00–16:00, P1

Generalized molecular Stokes-Einstein and Stokes-Einstein-Debye relations including temperature-dependent slip and effective radius — •Sina Zendehroud, Jan O. Daldrop, Yann von Hansen, and Roland R. Netz — Freie Universität Berlin, Department of Physics, Arnimallee 14, 14195 Berlin, Germany

We perform molecular dynamics simulations of water at different temperatures and calculate the viscosities as well as the rotational and translational self-diffusion constants of water molecules in the lab frame and in the comoving coordinate frame of the molecules. Instead of interpreting the results as deviations from the Stokes-Einstein and Stokes-Einstein-Debye relations, we simultaneously determine the slip length and the effective hydrodynamic radius from the simulation data. We show that the viscosity dependence of the diffusion constants of water can be understood in terms of an almost constant effective radius and a pronounced temperature dependence of the slip length.