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Towards Multiscale Simulations of Filled and Nanofilled Polymers

Published

Author(s)

S C. Glotzer, Francis W. Starr

Abstract

We perform simulations of filled and nanofilled polymers using a combination of molecular and mesoscale simulation techniques. Molecular dynamics simulations provide insight into the effect of a nanoscopic filler on the structure, dynamics, and glass transition of a low molecular weight melt. Time dependent Ginzberg-Landau simulations show the effect of fillers on the mesoscale structure of phase separating blends. Finite element techniques are used to predict the mechanical properties of these mesostructures.
Proceedings Title
Molecular Modeling and Simulation, International Conference | | | American Institute of Chemical Engineers
Volume
No. 325
Conference Dates
July 1, 2000
Conference Title
AICHE Symposium Series

Keywords

carbon black, filled polymers, glass transition, molecular dynamics, nanoscopic, simulations

Citation

Glotzer, S. and Starr, F. (2001), Towards Multiscale Simulations of Filled and Nanofilled Polymers, Molecular Modeling and Simulation, International Conference | | | American Institute of Chemical Engineers (Accessed February 28, 2024)
Created June 1, 2001, Updated February 17, 2017