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Plastic Deformation Mechanisms of Semicrystalline and Amorphous Polymers
Abstract
We use large-scale molecular dynamics simulations to investigate plastic deformation of semicrystalline polymers with randomly nucleated crystallites. The strain-softening regime is dominated by deformation of crystallites via reorientation of chain-folded lamellae toward the tensile axis, fragmentation of largest crystalline domains, and a partial loss of crystallinity. The strain-hardening regime coincides with unfolding of chains and recrystallization as a result of strain-induced chain alignment. These observed deformation mechanisms are consistent with experimental findings. We compare the tensile behavior of semicrystalline polymers with their amorphous counterparts at temperatures above and below the glass transition temperature.
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“As a result of the high cooling rates and the fact that nucleation was homogeneous [18,75], only co-crystallization of the long and short chains was observed (Fig. 6).”
From Molecular dynamics simulation of linear polyethylene blends: Effect of molar mass bimodality on topological characteristics and mechanical behavior (2019) · cites this paper as [75]
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Xu, S., Zhou, J., & Pan, P. (2023) · Progress in Polymer Science · doi:10.1016/j.progpolymsci.2023.101676 · Cited by 169
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Understanding and Modeling Polymers: The Challenge of Multiple Scales
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Metadata
- Authors
- Jabbari-Farouji, S., Rottler, J., Lame, O., Makke, A., Perez, M., & Barrat, J.-L.
- Affiliations
- Université Grenoble Alpes, UJF Liphy, F38041 Grenoble, France
- Department of Physics and Astronomy, The University of British Columbia, 6224 Agricultural Road, Vancouver, British Columbia V6T 1Z1, Canada
- Centre National de la Recherche Scientifique (FR)
- Université Joseph Fourier (FR)
- Venue
- ACS Macro Letters
- Publisher
- American Chemical Society (ACS)
- Published
- 2015-01-14
- Volume
- 4
- Issue
- 2
- Pages
- 147-150
- ISSN
- 2161-1653 (ISSN-L)
- OpenAlex
- W2314025514
- Cited by
- 147
- References
- 21
- Citations by year
- 2026: 19 · 2025: 11 · 2024: 19 · 2023: 14 · 2022: 16 · 2021: 15 · 2020: 10 · 2019: 11 · 2018: 16 · 2017: 9 · 2016: 5 · 2015: 2
- FWCI
- 6.84
- Type
- journal article
- Language
- en
- Open access
- closed
- Locations
- ACS Macro Letters (publishedVersion)
- PubMed (publishedVersion)
- HAL (submittedVersion)
- Funders
- Institut Universitaire de France
- Topics
- Physical Sciences › Materials Science › Polymers and Plastics › Polymer crystallization and properties
- Physical Sciences › Materials Science › Materials Chemistry › Material Dynamics and Properties
- Physical Sciences › Materials Science › Metals and Alloys › Microstructure and mechanical properties
- Keywords
- plastic deformation, semicrystalline polymers, amorphous polymers, strain softening, strain hardening, recrystallization, chain orientation, glass transition temperature, tensile properties
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