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Simulations of Filled Polymers on Multiple Length Scales

Published

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

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 June 16, 2024)

Issues

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Created July 1, 2001, Updated February 17, 2017