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Molecular Dynamics Simulations of Polymer Welding: Strength from Interfacial Entanglements

Ting Ge, Flint Pierce, Dvora Perahia, Gary S. Grest, and Mark O. Robbins
Phys. Rev. Lett. 110, 098301 – Published 28 February 2013; Erratum Phys. Rev. Lett. 110, 129902 (2013)

Abstract

Large-scale simulations of thermal welding of polymers are performed to investigate the rise of mechanical strength at the polymer-polymer interface with the welding time tw. The welding process is at the core of integrating polymeric elements into devices as well as in the thermal induced healing of polymers, processes that require the development of interfacial strength equal to that of the bulk. Our simulations show that the interfacial strength saturates at the bulk shear strength long before polymers diffuse by their radius of gyration. Along with the strength increase, the dominant failure mode changes from chain pullout at the interface to chain scission as in the bulk. The formation of sufficient entanglements across the interface, which we track using a primitive path analysis, is required to arrest catastrophic chain pullout at the interface. The bulk response is not fully recovered until the density of entanglements at the interface reaches the bulk value. Moreover, the increase of interfacial strength before saturation is proportional to the number of interfacial entanglements between chains from opposite sides.

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  • Received 20 November 2012
  • Corrected 6 March 2013

DOI:https://doi.org/10.1103/PhysRevLett.110.098301

© 2013 American Physical Society

Corrections

6 March 2013

Erratum

Publisher’s Note: Molecular Dynamics Simulations of Polymer Welding: Strength from Interfacial Entanglements [Phys. Rev. Lett. 110, 098301 (2013)]

Ting Ge, Flint Pierce, Dvora Perahia, Gary S. Grest, and Mark O. Robbins
Phys. Rev. Lett. 110, 129902 (2013)

Authors & Affiliations

Ting Ge1, Flint Pierce2,3, Dvora Perahia3, Gary S. Grest2, and Mark O. Robbins1

  • 1Department of Physics and Astronomy, Johns Hopkins University, Baltimore, Maryland 21218, USA
  • 2Sandia National Laboratories, Albuquerque, New Mexico 87185, USA
  • 3Department of Chemistry, Clemson University, Clemson, South Carolina 29634, USA

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Issue

Vol. 110, Iss. 9 — 1 March 2013

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