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Polymer Physics from NEMD

Date Issued
January 1, 2010
Author(s)
Keffer, David  
Baig, Chunggi
Kim, Jun Mo
Link to full text
http://utkstair.org/clausius/docs/atoms/polymer_NEMD/text/c24_1_004.html
Permanent URI
https://trace.tennessee.edu/handle/20.500.14382/48959
Abstract

The investigation of polymer physics through NonEquilibrium Molecular Dynamics (NEMD) in the Computational Materials Research Group at the University of Tennessee is an ongoing research effort. In the Chemical Engineering Department, the team has included Dr. David Keffer, Dr. Brian Edwards, Chunggi Baig (grad student and post-doc), Bangwu Jiang (a post-doc), Tudor Ionescu (a Ph.D. student) Jun Mo Kim (a Ph.D. student), and Joseph Rajkumar (an M.S. student). The structures for H-branched C178H358 were provided by Chunggi Baig based on work done as a post-doc in the research group of Vlasis Mavrantzas at the University of Patras in Greece.

Subjects

polymer

nemd

nonequilibrium molecu...

molecular simulation

shear rate

elongation rate

equilibrium flow

shear flow

elongational flow

Embargo Date
April 7, 2011

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