Viscoelasticity of glycerol at ultra-high frequencies investigated via molecular dynamics simulations
| Autor: | John E. Sader, Naida Lacevic |
|---|---|
| Rok vydání: | 2016 |
| Předmět: |
Glycerol
Self-diffusion Viscosity General Physics and Astronomy 02 engineering and technology Molecular Dynamics Simulation Atmospheric temperature range 021001 nanoscience & nanotechnology 01 natural sciences Molecular physics Elasticity Viscoelasticity Spectral line Condensed Matter::Soft Condensed Matter Physics::Fluid Dynamics Shear modulus Molecular dynamics Nuclear magnetic resonance Brillouin scattering 0103 physical sciences Physical and Theoretical Chemistry 010306 general physics 0210 nano-technology Excitation |
| Zdroj: | The Journal of Chemical Physics. 144:054502 |
| ISSN: | 1089-7690 0021-9606 |
| DOI: | 10.1063/1.4940146 |
| Popis: | 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. |
| Databáze: | OpenAIRE |
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