Role of the Intercrystalline Tie Chains Network in the Mechanical Response of Semicrystalline Polymers

We examine the microscopic origin of the tensile response in semicrystalline polymers by performing large-scale molecular dynamics simulations of various chain lengths. We investigate the microscopic rearrangements of the polymers during tensile deformation and show that the intercrystalline chain c...

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Bibliographic Details
Published in:Physical review letters Vol. 118; no. 21; p. 217802
Main Authors: Jabbari-Farouji, Sara, Lame, Olivier, Perez, Michel, Rottler, Joerg, Barrat, Jean-Louis
Format: Journal Article
Language:English
Published: United States American Physical Society 26-05-2017
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Summary:We examine the microscopic origin of the tensile response in semicrystalline polymers by performing large-scale molecular dynamics simulations of various chain lengths. We investigate the microscopic rearrangements of the polymers during tensile deformation and show that the intercrystalline chain connections known as tie chains contribute significantly to the elastic and plastic response. These results suggest that the mechanical behavior of semicrystalline polymers is controlled by two interpenetrated networks of entanglements and tie chains.
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ISSN:0031-9007
1079-7114
DOI:10.1103/physrevlett.118.217802