Challenges in Multiscale Modeling of Polymer Dynamics

Multiscale modeling of polymer rheology.

We propose a simulation method which can be used to readily parallelize simulations on systems with a large spatial extent. We simulate small parts of the system with independent molecular dynamics simulations, and only occasionally pass information between them through a constitutive model free continuum approach. We illustrate the power of this method in the case of a polymeric fluid undergoi...

Multiscale constitutive modeling of polymer materials

........................................................................................................... 5 Chapter 1 Nomenclature ................................................................................................... 9 Introduction ............................................................................... 11 1.1 Motivation ......................................................

Multiscale Modeling of Polymer Nano-Composites

In recent years, polymer nano-composites (PNCs) have increasingly gained more attention due to their improved mechanical, barrier, thermal, optical, electrical and biodegradable properties in comparison with the conventional micro-composites or pristine polymers. With a modest addition of nanoparticles (usually less than 5wt. %), PNCs offer a wide range of improvements in moduli, strength, heat...

Multiscale Modeling of Polymer Based Nanomaterials

In materials design and engineering there is a need for fundamental information that spans large scales of time and distances, from the quantum chemical nature of interactions to the macroscopic mechanical and electrical properties. In order to acquire technologically relevant information the most efficient modeling methodology for each time and length scale should be used. We have developed a ...

Emerging Challenges in Multiscale Modeling in Biology.