Simulations of Filled Polymers on Multiple Length Scales

Published

July 1, 2001

Author(s)

Francis W. Starr, S C. Glotzer

Abstract

We present simulation results of the effect of nanoscopic and micron-sized fillers on the structure, dynamics, and mechanical properties of polymer melts and blends. At the smallest length scales, we use molecular dynamics simulations to study the effect of a single nano-filler on the structure and dynamics of the surrounding melt. We use time-dependent Ginzburg-Lanau simulations to model the mesoscale phase separation of an ultra-thin blend film in the presence of an immobilized filler particle. Finally we present some preliminary finite-element calculations used to predict the effect of mesoscale structure on macroscopic ultra-thin film mechanical properties.

Proceedings Title

Filled and Nanocomposite Polymer Materials, Symposium | | Filled and Nanocomposite Polymer Materials | Materials Research Society

Volume

661

Conference Dates

November 27-December 1, 2000

Conference Title

Materials Research Society Symposium Proceedings

Pub Type

Conferences

Keywords

filled polymers, Ginzburg-Landau, glass transition, molecular dynamics, nanoscopic, phase separation, simulations

Citation

Starr, F. and Glotzer, S. (2001), Simulations of Filled Polymers on Multiple Length Scales, Filled and Nanocomposite Polymer Materials, Symposium | | Filled and Nanocomposite Polymer Materials | Materials Research Society (Accessed April 26, 2024)