Session: Modeling and Simulation of Polymers (2010 Annual Meeting)

Modeling and Simulation of Polymers

Wednesday, November 10, 2010: 3:15 PM

252 A/B Room (Salt Palace Convention Center)

Description:

This session focuses generally on simulation of polymeric materials. Topics of interest include, but are not limited to, development of new simulation/modeling techniques, application of modeling/simulation to provide insight into the properties and behavior of polymeric materials, and the development and use of multi-scale techniques for polymeric materials.

Sponsor:

Polymers

Co-Sponsor(s):

Computational Molecular Science and Engineering Forum (21)

Chair:

Manolis Doxastakis
Email: edoxastakis@uh.edu

Co-Chair:

Peter Ludovice
Email: pete.ludovice@chbe.gatech.edu

- indicates paper has an Extended Abstract file available on CD.

3:15 PM

(545a) Mapping of Atomistic Simulation Data for the Dynamics of Entangled Polymers Onto the Tube Model: Calculation of the Segment Survival Probability Function for Mono- and Bi-Disperse Melts and Comparison with Modern Tube Models
Chunggi Baig, Pavlos Stephanou, Georgia Tsolou, Vlasis Mavrantzas and Martin Kroger

3:35 PM

(545b) Coarse-Grained Molecular Dynamics Simulation of PET
Qifei Wang, David Keffer, Don M. Nicholson and Brock Thomas

3:55 PM

Break

4:05 PM

(545c) Effect of Nano-Confinement On Cure Kinetics of Highly Cross-Linked Epoxy: A Molecular Simulation Study
Po-Han Lin and Rajesh Khare

4:25 PM

(545d) Structure of Polymer Melt in the Proximity of Nanoparticles
Yogendra N. Pandey and Manolis Doxastakis

4:45 PM

(545e) Dynamics of Semiflexible Chains and Rings in Confinement
Yeng-Long Chen and Jen-Fang Chang

5:05 PM

(545f) Detailed Molecular-Dynamics Study On Structural and Dynamical Properties of Unentangled Ring Polyethylene Melts: Comprehensive Analysis of the Rouse Theory and Simulation
Georgia Tsolou, Nikos Stratikis, Chunggi Baig, Pavlos Stephanou and Vlasis Mavrantzas

See more of this Group/Topical: Materials Engineering and Sciences Division

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