Nano Science and Technology Institute
Nanotech 2001 Vol. 2
Nanotech 2001 Vol. 2
Technical Proceedings of the 2001 International Conference on Computational Nanoscience and Nanotechnology
Chapter 3: Polymers and Colloids

Large-scale Simulations of Adhesion in Dense Polymer Melts

Authors:S.W. Sides, G.S. Grest and M.J. Stevens
Affilation:Sandia National Laboratories, US
Pages:61 - 64
Keywords:polymer, adhesion, molecular dynamics, simulation
Abstract:We study adhesion between a polymer melt and substrate due to tethered chains on the substrate surface. We have performed extensive molecular dynamics simulations to study the effect of tethered chain density (S), tethered chain length (Nt) and tensile pull velocity (v) on the adhesive failure mechanisms. We incorporate a simple breaking model to study the scission of the tethered chains as they are pulled from the melt. We observe a crossover from pure chain pullout at short Nt and small v, tochain scission as Nt and v are increased. The value of Nt for which this crossover occurs is comparable to the entanglement length.
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