Cavitation and Crazing in Rod-Containing Nanocomposites
Abstract
Addition of nanoparticles to a polymer can drastically affect the mechanical properties and structure of the nanocomposite. Herein we explore the nucleation and growth of voids that precede craze formation and the early crazing itself by use of coarse-grained Monte Carlo and molecular dynamics simulations. We investigate the role of deformation rate, local density, local rod orientation, nonaffine displacements, and local elastic moduli. We observe that for both pure polymers and nanocomposites, regions of low local elastic modulus are more prone to failure. Additionally, it is found that Voronoi volume can anticipate void formation and that it is also a predictor of failure, particularly in composites. After the onset of crazing, it is found that nanorods incorporated into the crazes rapidly orient themselves to match the direction of the polymer fibrils, but nanorods in bulk regions remain randomly oriented. We also find that attractive rods resist incorporation into the developing crazes and that this effect is stronger with increasing rod length.
- Authors:
-
- Univ. of Wisconsin, Madison, WI (United States)
- Publication Date:
- Research Org.:
- Univ. of Wisconsin, Madison, WI (United States); Univ. of Chicago, IL (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1623299
- Grant/Contract Number:
- SC0004025
- Resource Type:
- Journal Article: Accepted Manuscript
- Journal Name:
- Macromolecules
- Additional Journal Information:
- Journal Volume: 44; Journal Issue: 13; Journal ID: ISSN 0024-9297
- Publisher:
- American Chemical Society
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Citation Formats
Toepperwein, Gregory N., and de Pablo, Juan J. Cavitation and Crazing in Rod-Containing Nanocomposites. United States: N. p., 2011.
Web. doi:10.1021/ma200541s.
Toepperwein, Gregory N., & de Pablo, Juan J. Cavitation and Crazing in Rod-Containing Nanocomposites. United States. https://doi.org/10.1021/ma200541s
Toepperwein, Gregory N., and de Pablo, Juan J. 2011.
"Cavitation and Crazing in Rod-Containing Nanocomposites". United States. https://doi.org/10.1021/ma200541s. https://www.osti.gov/servlets/purl/1623299.
@article{osti_1623299,
title = {Cavitation and Crazing in Rod-Containing Nanocomposites},
author = {Toepperwein, Gregory N. and de Pablo, Juan J.},
abstractNote = {Addition of nanoparticles to a polymer can drastically affect the mechanical properties and structure of the nanocomposite. Herein we explore the nucleation and growth of voids that precede craze formation and the early crazing itself by use of coarse-grained Monte Carlo and molecular dynamics simulations. We investigate the role of deformation rate, local density, local rod orientation, nonaffine displacements, and local elastic moduli. We observe that for both pure polymers and nanocomposites, regions of low local elastic modulus are more prone to failure. Additionally, it is found that Voronoi volume can anticipate void formation and that it is also a predictor of failure, particularly in composites. After the onset of crazing, it is found that nanorods incorporated into the crazes rapidly orient themselves to match the direction of the polymer fibrils, but nanorods in bulk regions remain randomly oriented. We also find that attractive rods resist incorporation into the developing crazes and that this effect is stronger with increasing rod length.},
doi = {10.1021/ma200541s},
url = {https://www.osti.gov/biblio/1623299},
journal = {Macromolecules},
issn = {0024-9297},
number = 13,
volume = 44,
place = {United States},
year = {Tue Jun 07 00:00:00 EDT 2011},
month = {Tue Jun 07 00:00:00 EDT 2011}
}
Web of Science
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