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Simulation of Interfacial Fracture in Highly Crosslinked Adhesives

Published online by Cambridge University Press:  01 February 2011

Mark J. Stevens
Mark J. Stevens*
Affiliation:
P.O. Box 5800 MS1111 Sandia National Laboratories Albuquerque, NM 87185
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Abstract

The fracture of highly-crosslinked networks is investigated by molecular dynamics simulations. The network is modeled as a bead-spring polymer network between two solid surfaces. The network is dynamically formed by crosslinking an equilibrated liquid mixture. Tensile pull fracture is simulated as a function of the number of interfacial bonds. The sequence of molecular structural deformations that lead to failure are determined, and the connectivity is found to strongly control the stress-strain response and failure modes. The failure strain is related to the minimal paths in the network that connect the two solid surfaces. The failure stress is a fraction of the ideal stress required to fracture all the interfacial bonds, and is linearly proportional to the number of interfacial bonds. By allowing only a single bond between a crosslinker and the surface, interfacial failure always occurs. Allowing up to half of the crosslinker's bonds to occur with the surface, cohesive failure can occur.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 629: Symposium FF – Interfaces, Adhesion and Processing in Polymer Systems , 2000 , FF8.3
Copyright
Copyright © Materials Research Society 2000

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