Crazing of nanocomposites with polymer-tethered nanoparticles
Abstract
The crazing behavior of polymer nanocomposites formed by blending polymer grafted nanoparticles with an entangled polymer melt is studied by molecular dynamics simulations. We focus on the three key differences in the crazing behavior of a composite relative to the pure homopolymer matrix, namely, a lower yield stress, a smaller extension ratio, and a grafted chain length dependent failure stress. The yield behavior is found to be mostly controlled by the local nanoparticle-grafted polymer interfacial energy, with the grafted polymer-polymer matrix interfacial structure being of little to no relevance. Increasing the attraction between nanoparticle core and the grafted polymer inhibits void nucleation and leads to a higher yield stress. In the craze growth regime, the presence of “grafted chain” sections of ≈100 monomers alters the mechanical response of composite samples, giving rise to smaller extension ratios and higher drawing stresses than for the homopolymer matrix. As a result, the dominant failure mechanism of composite samples depends strongly on the length of the grafted chains, with disentanglement being the dominant mechanism for short chains, while bond breaking is the failure mode for chain lengths >10Ne, where Ne is the entanglement length.
- Authors:
-
- Columbia Univ., New York, NY (United States); Mississippi State Univ., Starkville, MS (United States)
- Columbia Univ., New York, NY (United States)
- Univ. of North Carolina, Chapel Hill, NC (United States)
- Johns Hopkins Univ., Baltimore, MD (United States)
- Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
- Publication Date:
- Research Org.:
- Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
- Sponsoring Org.:
- USDOE National Nuclear Security Administration (NNSA)
- OSTI Identifier:
- 1326058
- Alternate Identifier(s):
- OSTI ID: 1321036
- Report Number(s):
- SAND-2016-5736J
Journal ID: ISSN 0021-9606; JCPSA6; 643404
- Grant/Contract Number:
- AC04-94AL85000; AC02-05CH11231
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Journal of Chemical Physics
- Additional Journal Information:
- Journal Volume: 145; Journal Issue: 9; Journal ID: ISSN 0021-9606
- Publisher:
- American Institute of Physics (AIP)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; polymers; crazing; bond cleavage; nanocomposites; nucleation
Citation Formats
Meng, Dong, Kumar, Sanat K., Ge, Ting, Robbins, Mark O., and Grest, Gary S. Crazing of nanocomposites with polymer-tethered nanoparticles. United States: N. p., 2016.
Web. doi:10.1063/1.4961872.
Meng, Dong, Kumar, Sanat K., Ge, Ting, Robbins, Mark O., & Grest, Gary S. Crazing of nanocomposites with polymer-tethered nanoparticles. United States. https://doi.org/10.1063/1.4961872
Meng, Dong, Kumar, Sanat K., Ge, Ting, Robbins, Mark O., and Grest, Gary S. Wed .
"Crazing of nanocomposites with polymer-tethered nanoparticles". United States. https://doi.org/10.1063/1.4961872. https://www.osti.gov/servlets/purl/1326058.
@article{osti_1326058,
title = {Crazing of nanocomposites with polymer-tethered nanoparticles},
author = {Meng, Dong and Kumar, Sanat K. and Ge, Ting and Robbins, Mark O. and Grest, Gary S.},
abstractNote = {The crazing behavior of polymer nanocomposites formed by blending polymer grafted nanoparticles with an entangled polymer melt is studied by molecular dynamics simulations. We focus on the three key differences in the crazing behavior of a composite relative to the pure homopolymer matrix, namely, a lower yield stress, a smaller extension ratio, and a grafted chain length dependent failure stress. The yield behavior is found to be mostly controlled by the local nanoparticle-grafted polymer interfacial energy, with the grafted polymer-polymer matrix interfacial structure being of little to no relevance. Increasing the attraction between nanoparticle core and the grafted polymer inhibits void nucleation and leads to a higher yield stress. In the craze growth regime, the presence of “grafted chain” sections of ≈100 monomers alters the mechanical response of composite samples, giving rise to smaller extension ratios and higher drawing stresses than for the homopolymer matrix. As a result, the dominant failure mechanism of composite samples depends strongly on the length of the grafted chains, with disentanglement being the dominant mechanism for short chains, while bond breaking is the failure mode for chain lengths >10Ne, where Ne is the entanglement length.},
doi = {10.1063/1.4961872},
journal = {Journal of Chemical Physics},
number = 9,
volume = 145,
place = {United States},
year = {Wed Sep 07 00:00:00 EDT 2016},
month = {Wed Sep 07 00:00:00 EDT 2016}
}
Web of Science
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