Date and Time: |
Oct 31, 2019, 15:00-17:00 |
Place: |
The 3rd Bldg. School Eng., Lecture room 331 (3rd floor) |
Speaker: |
Prof. Dr. Florian Müller-Plathe
(Eduard-Zintl-Institut für Anorganische und Physikalische Chemie,
Technische Universität Darmstadt) |
Title: |
Transport in fluids and materials: Molecular dynamics beyond equilibrium |
Abstract: |
Viscous flow, heat conduction and thermal diffusion are important dynamical
processes. They have an immediate bearing on the technical performance of
fluids, materials, and interfaces, sometimes as a much-desired design goal,
sometimes as an inevitable nuisance factor. Molecular dynamics has evolved
to a state that transport processes can be quantitatively predicted and
qualitatively understood at the molecular level. This talk will present
molecular dynamics simulations aimed at thermal and flow transport
properties in simple and complex fluids, polymers, and composites. It will
cover peculiarities like non-Fourier behavior and thermal rectification in
carbon nanotubes, the unexpectedly low thermal conductivity of
polymer-carbon nanotube composites and the importance of the interfacial
thermal conductance in evaporation processes. The non-equilibrium molecular
dynamics techniques employed will be outlined.
|