556 Modeling and Simulation of Polymers II

Wednesday, November 6, 2013: 3:15 PM
Franciscan B (Hilton)
Description:
This session focuses generally on simulation of polymeric materials. Topics of interest include, but are not limited to, development of new modeling and simulation techniques, application of modeling and simulation to provide insight into the properties and behavior of polymeric materials, and the development and use of multiscale techniques for polymeric materials. ***Note to faculty candidates: please include a note to the session chair during submission to alert them to your status*** +++ Note that all submissions will be to part I and will be sorted APS style to improve the cohesiveness of the sessions +++

Sponsor:
Polymers
Co-Sponsor(s):
Computational Molecular Science and Engineering Forum (21)

Chair:
Lisa M. Hall
Email: hall.1004@osu.edu

Co-Chair:
Ahmed E. Ismail
Email: aei@alum.mit.edu

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


3:15 PM
(556a) Invited Talk: Molecular Simulation of "Real World" Polymer Systems
Michael L. Greenfield

3:45 PM
(556b) Solvent Diffusion and Drying Properties of Amorphous Polymers Via Molecular Simulation
Li Xi and Bernhardt L. Trout
File available
4:05 PM
(556c) Simulations of Bond Rupture in Normal Alkanes Under Tensile Molecular Deformation Using Reactive Potentials
Sasan Nouranian, Steven R. Gwaltney, Mark A. Tschopp, Michael I. Baskes and M.F. Horstemeyer

4:25 PM
(556d) The Ab Initio Design of Efficient Photoinitiators
Charles B. Musgrave, Chern Hooi Lim, Tao Gong, Aaron Holder and Christopher N. Bowman

4:45 PM
(556e) All-Atom Molecular Dynamics Simulations of Poly(N-isopropylacrylamide) Grafted Architectures
Ganesh Kamath, Sanket Deshmukh, Derrick C. Mancini and Subramanian Sankaranarayanan

5:05 PM
(556f) Atomistic Molecular Dynamics Simulations of Precise Ionomers
Dan S. Bolintineanu, Mark J. Stevens and Amalie L. Frischknecht

5:25 PM
(556g) MD Simulation Study of Polyelectrolyte Chain Collapse in Aqueous Mixed Solvent Due to Hydrophobicity: PAA–Water–Ethanol
Praveenkumar Sappidi and Upendra Natarajan
See more of this Group/Topical: Materials Engineering and Sciences Division
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