Using molecular fields to bridge between particle and continuum representations of macromolecular soft matter
(C01)
Subject Area
Experimental and Theoretical Physics of Polymers
Term
since 2014
Project identifier
Deutsche Forschungsgemeinschaft (DFG) - Project number 233630050
In this project, we explore the potential of so-called “molecular field” theories to bridge between particle-based and continuum representations of macromolecular materials. Currently, our goal is to design systematic mapping procedures for dynamic properties. We have developed a bottom-up method to construct diffusive dynamic density functional theories from microscopic trajectories at equilibrium. In the future, we plan to apply this approach to a variety of systems, e.g., mixtures, and partially crosslinked polymers. Further, we will introduce stress and hydrodynamics, and we will explore methods to study systems far from equilibrium, where polymers do not have the time to relax to equilibrium.
DFG Programme
CRC/Transregios
