Simulation of Interfacial Fracture in Highly Crosslinked Adhesives

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.

This is a preview of subscription content, access via your institution.

References

  1. 1.

    H. Brown, Science 263, 1411 (1994).

    CAS  Article  Google Scholar 

  2. 2.

    G. de Crevoisier, P. Fabre; J. Corpart, and L. Leibler, Science 285, 1246 (1999).

    Article  Google Scholar 

  3. 3.

    C. Henkee and E. Kramer, J. Poly. Sci.: Poly. Phys. Ed., 22, 721 (1984).

    CAS  Google Scholar 

  4. 4.

    H. Yim, M. Kent, W. McNamara, R. Ivkov, S. Satija, and J. Majewski, Macromol., 32, 7932 (1999).

    CAS  Article  Google Scholar 

  5. 5.

    M. J. Stevens, Interfacial fracture between highly crosslinked polymer networks and a solid surface: Effect of interfacial bond density, preprint.

  6. 6.

    Monte Carlo and Molecular Dynamics Simulations in Polymer Science, ed. K. Binder (Oxford, New York, 1995).

    Google Scholar 

  7. 7.

    K. Kremer and G. Grest, Monte Carlo and Molecular Dynamics Simulations in Polymer Science, ed. K. Binder (Oxford, New York, 1995), pp 194271.

  8. 8.

    T. Hu, Combinatorial Algorithms, (Addison-Wesley, Reading, 1982).

    Google Scholar 

Download references

Author information

Affiliations

Authors

Corresponding author

Correspondence to Mark J. Stevens.

Rights and permissions

Reprints and Permissions

About this article

Cite this article

Stevens, M.J. Simulation of Interfacial Fracture in Highly Crosslinked Adhesives. MRS Online Proceedings Library 629, 83 (2000). https://doi.org/10.1557/PROC-629-FF8.3

Download citation