Crazing of nanocomposites with polymer-tethered nanoparticles

Meng, Dong; Kumar, Sanat K.; Ge, Ting; Robbins, Mark O.; Grest, Gary S.

doi:10.1063/1.4961872

Title: Crazing of nanocomposites with polymer-tethered nanoparticles

Journal Article · Wed Sep 07 00:00:00 EDT 2016 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.4961872· OSTI ID:1326058

Meng, Dong ^[1]; Kumar, Sanat K. ^[2]; Ge, Ting ^[3]; Robbins, Mark O. ^[4];

^[5]

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)

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 >10N_e, where N_e is the entanglement length.

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Research Organization:: Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA)

Grant/Contract Number:: AC04-94AL85000; AC02-05CH11231

OSTI ID:: 1326058

Alternate ID(s):: OSTI ID: 1321036

Report Number(s):: SAND-2016-5736J; JCPSA6; 643404

Journal Information:: Journal of Chemical Physics, Vol. 145, Issue 9; ISSN 0021-9606

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 26 works

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