Tuesday, November 14, 2006: 3:15 PM-5:45 PM
Yerba Buena Ballroom 1 (Marriott San Francisco)
#290 - Multiscale Modeling and Characterization of Polymers (08A11)
This session focuses on multiscale simulation to characterize the behavior of polymeric materials and produce insight into structure property relationships. The appropriate simulation protocols span or connect two or more scales of time, size or detail in the polymeric materials.
Chair:Peter Ludovice
CoChair:Cameron F. Abrams
3:15 PMWelcoming Remarks
3:20 PMSemi-Grand Canonical Monte Carlo (Sgmc) Simulations to Interpret Non-Equilibrium Polymer Melt Experiments
Frederick E. Bernardin III, Gregory C. Rutledge
3:40 PMMonte Carlo Simulations of the Interlamellar Region in Semi-Crystalline Isotactic Polypropylene
Vikram K. Kuppa, Gregory C. Rutledge
4:00 PMEntanglements and Underlying Topology in Polymer Melts : from Atomistic Models to Entanglement Networks
Christos Tzoumanekas, Doros N. Theodorou
4:20 PMSpinodal Decomposition of Rodlike Liquid Crystals
Micah J. Green, Robert A. Brown, Robert C. Armstrong
4:40 PMMolecular Modeling of Entanglements in Macromolecules by Using a Coarse-Grained Slip-Link Model
Jay D. Schieber, Deepa M. Nair, Thidaporn Kitkrailard
5:00 PMMovement Selection for Modeling Biopolymers in a 3-D Lattice
Erin N. Sawardecker, Marta Sales-Pardo, Luis A.N. Amaral
5:20 PMDiffusion in Polystyrene: a Multi-Scale Approach
Pravin Kannan, Joseph J. Biernacki, Donald P. Visco
5:40 PMConcluding Remarks

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