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 May 3, 2026)
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Towards Multiscale Simulations of Filled and Nanofilled Polymers
Published
Author(s)
,
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
Pub Type
Conferences
Keywords
carbon black, filled polymers, glass transition, molecular dynamics, nanoscopic, simulations
Citation
Issues
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Created June 1, 2001, Updated February 17, 2017