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Title: Nanoparticle Motion in Entangled Melts of Linear and Nonconcatenated Ring Polymers [Nanoparticle Motion in Entangled Melts of Non-Concatenated Ring Polymers].

The motion of nanoparticles (NPs) in entangled melts of linear polymers and non-concatenated ring polymers are compared by large-scale molecular dynamics simulations. The comparison provides a paradigm for the effects of polymer architecture on the dynamical coupling between NPs and polymers in nanocomposites. Strongly suppressed motion of NPs with diameter d larger than the entanglement spacing a is observed in a melt of linear polymers before the onset of Fickian NP diffusion. This strong suppression of NP motion occurs progressively as d exceeds a, and is related to the hopping diffusion of NPs in the entanglement network. In contrast to the NP motion in linear polymers, the motion of NPs with d > a in ring polymers is not as strongly suppressed prior to Fickian diffusion. The diffusion coefficient D decreases with increasing d much slower in entangled rings than in entangled linear chains. NP motion in entangled non-concatenated ring polymers is understood through a scaling analysis of the coupling between NP motion and the self-similar entangled dynamics of ring polymers.
Authors:
ORCiD logo [1] ;  [2] ;  [3] ;  [4] ;  [1]
  1. Univ. of North Carolina, Chapel Hill, NC (United States)
  2. National Inst. of Technology Karnataka (India)
  3. Max Planck Inst. for Polymer Research, Ackermannweg (Germany)
  4. Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Publication Date:
Report Number(s):
SAND-2016-9157J
Journal ID: ISSN 0024-9297; 647441
Grant/Contract Number:
AC04-94AL85000
Type:
Accepted Manuscript
Journal Name:
Macromolecules
Additional Journal Information:
Journal Volume: 50; Journal Issue: 4; Journal ID: ISSN 0024-9297
Publisher:
American Chemical Society
Research Org:
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Sponsoring Org:
USDOE National Nuclear Security Administration (NNSA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
OSTI Identifier:
1356222

Ge, Ting, Kalathi, Jagannathan T., Halverson, Jonathan D., Grest, Gary S., and Rubinstein, Michael. Nanoparticle Motion in Entangled Melts of Linear and Nonconcatenated Ring Polymers [Nanoparticle Motion in Entangled Melts of Non-Concatenated Ring Polymers].. United States: N. p., Web. doi:10.1021/acs.macromol.6b02632.
Ge, Ting, Kalathi, Jagannathan T., Halverson, Jonathan D., Grest, Gary S., & Rubinstein, Michael. Nanoparticle Motion in Entangled Melts of Linear and Nonconcatenated Ring Polymers [Nanoparticle Motion in Entangled Melts of Non-Concatenated Ring Polymers].. United States. doi:10.1021/acs.macromol.6b02632.
Ge, Ting, Kalathi, Jagannathan T., Halverson, Jonathan D., Grest, Gary S., and Rubinstein, Michael. 2017. "Nanoparticle Motion in Entangled Melts of Linear and Nonconcatenated Ring Polymers [Nanoparticle Motion in Entangled Melts of Non-Concatenated Ring Polymers].". United States. doi:10.1021/acs.macromol.6b02632. https://www.osti.gov/servlets/purl/1356222.
@article{osti_1356222,
title = {Nanoparticle Motion in Entangled Melts of Linear and Nonconcatenated Ring Polymers [Nanoparticle Motion in Entangled Melts of Non-Concatenated Ring Polymers].},
author = {Ge, Ting and Kalathi, Jagannathan T. and Halverson, Jonathan D. and Grest, Gary S. and Rubinstein, Michael},
abstractNote = {The motion of nanoparticles (NPs) in entangled melts of linear polymers and non-concatenated ring polymers are compared by large-scale molecular dynamics simulations. The comparison provides a paradigm for the effects of polymer architecture on the dynamical coupling between NPs and polymers in nanocomposites. Strongly suppressed motion of NPs with diameter d larger than the entanglement spacing a is observed in a melt of linear polymers before the onset of Fickian NP diffusion. This strong suppression of NP motion occurs progressively as d exceeds a, and is related to the hopping diffusion of NPs in the entanglement network. In contrast to the NP motion in linear polymers, the motion of NPs with d > a in ring polymers is not as strongly suppressed prior to Fickian diffusion. The diffusion coefficient D decreases with increasing d much slower in entangled rings than in entangled linear chains. NP motion in entangled non-concatenated ring polymers is understood through a scaling analysis of the coupling between NP motion and the self-similar entangled dynamics of ring polymers.},
doi = {10.1021/acs.macromol.6b02632},
journal = {Macromolecules},
number = 4,
volume = 50,
place = {United States},
year = {2017},
month = {2}
}