We determine time correlation functions and dynamic structure factors of the number and charge density of liquid water from molecular dynamics simulations. Using these correlation functions we consider dielectric friction and electro-acoustic coupling effects via linear response theory. From charge-charge correlations, the drag force on a moving point charge is derived and found to be maximal at a velocity of around 300 m/s. Strong deviations in the resulting friction coefficients from approximate theory employing a single Debye relaxation mode are found that are due to non-Debye-like resonances at high frequencies. From charge-mass cross-correlations the ultrasonic vibration potential is derived, which characterizes the conversion of acoustic waves into electric time-varying potentials. Along the dispersion relation for normal sound waves in water, the ultrasonic vibration potential is shown to strongly vary and to increase for larger wavelengths.
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7 February 2014
Research Article|
February 06 2014
Charge/mass dynamic structure factors of water and applications to dielectric friction and electroacoustic conversion
Felix Sedlmeier;
Felix Sedlmeier
1Physik Department,
Technische Universität München
, 85748 Garching, Germany
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Shahriar Shadkhoo;
Shahriar Shadkhoo
2Department of Physics and Astronomy,
University of California
, Los Angeles, Los Angeles, California 90095, USA
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Robijn Bruinsma;
Robijn Bruinsma
2Department of Physics and Astronomy,
University of California
, Los Angeles, Los Angeles, California 90095, USA
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Roland R. Netz
Roland R. Netz
3Fachbereich Physik,
Freie Universität Berlin
, 14195 Berlin, Germany
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Felix Sedlmeier
1
Shahriar Shadkhoo
2
Robijn Bruinsma
2
Roland R. Netz
3
1Physik Department,
Technische Universität München
, 85748 Garching, Germany
2Department of Physics and Astronomy,
University of California
, Los Angeles, Los Angeles, California 90095, USA
3Fachbereich Physik,
Freie Universität Berlin
, 14195 Berlin, Germany
J. Chem. Phys. 140, 054512 (2014)
Article history
Received:
November 18 2013
Accepted:
January 13 2014
Citation
Felix Sedlmeier, Shahriar Shadkhoo, Robijn Bruinsma, Roland R. Netz; Charge/mass dynamic structure factors of water and applications to dielectric friction and electroacoustic conversion. J. Chem. Phys. 7 February 2014; 140 (5): 054512. https://doi.org/10.1063/1.4863444
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