Viscoelasticity of glycerol at ultra-high frequencies investigated via molecular dynamics simulations

NM Lacevic and JE Sader, JOURNAL OF CHEMICAL PHYSICS, 144, 054502 (2016).

DOI: 10.1063/1.4940146

We present a calculation of the shear and longitudinal moduli of glycerol in the gigahertz frequency regime and temperature range between 273 K and 323 K using classical molecular dynamics simulations. The full frequency spectra of shear and longitudinal moduli of glycerol between 0.5 GHz and 100 GHz at room temperature are computed, which was not previously available from experiments or simulations. We also demonstrate that the temperature dependence of the real parts of the shear and longitudinal moduli agrees well with available experimental counterparts obtained via time-domain Brillouin scattering. This work provides new insights into the response of molecular liquids to ultra- high frequency excitation and opens a new pathway for studying simple liquids at high frequencies and strain rates. (C) 2016 AIP Publishing LLC.

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