Heat Transport in Fluids and Materials: Molecular Dynamics Beyond Equilibrium
Florian Mueller Plathe
Eduard-Zintl-Institut for Anorganische and Physikalisch Chemie
Technische Universitat Darmstadt, Germany
12 PM, Thursday, March 9th, 2017
1003 Kemper Hall
Abstract: 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 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 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.
Biography: Florian Müller-Plathe is Professor of Theoretical Physical Chemistry at Technische Universität Darmstadt, Germany. He has worked on the molecular simulation of fluids, polymers and materials for more than 25 years, with major method development efforts in multiscale modelling and coarse-graining, transport properties, as well as the molecular characterization of interfaces and interphases. After studying chemistry at Ludwig-Maximilian University Munich (D) and obtaining a PhD from the Technical University of Munich (D), he worked in various capacities at Daresbury Laboratory (UK), ETH Zürich (CH), Max-Planck Institute for Polymer Research Mainz (D) and Jacobs-University Bremen (D). He is a regular member of the Academy of Sciences and Literature Mainz (D).