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Influence of wall heterogeneity on nanoscopically confined polymers

Abstract

We investigate via molecular dynamics simulations the behavior of a polymer melt confined between surfaces with increasing spatial correlation (patchiness) of weakly and strongly interacting sites. Beyond a critical patchiness, find a dramatic dynamic decoupling, characterized by a steep growth of the longest relaxation time and a constant diffusion coefficient. This arises from dynamic heterogeneities induced by the walls in the adjacent polymer layers, leading to the coexistence of fast and slow chain populations. Structural variations are also present, but they are not easy to detect. Our work opens the way to a better understanding of adhesion, friction, rubber reinforcement by fillers, and many other open issues involving the dynamics of polymeric materials on rough, chemically heterogeneous and possibly "dirty" surfaces.

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Publication details

The article was received on 31 Oct 2018, accepted on 07 Dec 2018 and first published on 07 Dec 2018


Article type: Paper
DOI: 10.1039/C8CP06757K
Citation: Phys. Chem. Chem. Phys., 2018, Accepted Manuscript
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    Influence of wall heterogeneity on nanoscopically confined polymers

    R. Pastore, A. David, M. Casalegno, F. Greco and G. Raos, Phys. Chem. Chem. Phys., 2018, Accepted Manuscript , DOI: 10.1039/C8CP06757K

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