@article{MayerHentschkeHageretal.2017, author = {Mayer, Jan and Hentschke, Reinhard and Hager, Jonathan and Hojdis, Nils and Karimi-Varnaneh, Hossein Ali}, title = {A Nano-Mechanical Instability as Primary Contribution to Rolling Resistance}, series = {Scientific Reports}, volume = {7}, journal = {Scientific Reports}, number = {Article number 11275}, publisher = {Springer}, address = {Berlin}, issn = {2045-2322}, year = {2017}, language = {en} } @article{HentschkeHagerHojdis2014, author = {Hentschke, Reinhard and Hager, Jonathan and Hojdis, Nils}, title = {Molecular Modeling Approach to the Prediction of Mechanical Properties of Silica-Reinforced Rubbers}, series = {Journal of Applied Polymer Science}, volume = {131}, journal = {Journal of Applied Polymer Science}, number = {18}, publisher = {Wiley}, address = {New York, NY}, issn = {1097-4628}, doi = {10.1002/app.40806}, pages = {1 -- 9}, year = {2014}, abstract = {Recently, we have suggested a nanomechanical model for dissipative loss in filled elastomer networks in the context of the Payne effect. The mechanism is based on a total interfiller particle force exhibiting an intermittent loop, due to the combination of short-range repulsion and dispersion forces with a long-range elastic attraction. The sum of these forces leads, under external strain, to a spontaneous instability of "bonds" between the aggregates in a filler network and attendant energy dissipation. Here, we use molecular dynamics simulations to obtain chemically realistic forces between surface modified silica particles. The latter are combined with the above model to estimate the loss modulus and the low strain storage modulus in elastomers containing the aforementioned filler-compatibilizer systems. The model is compared to experimental dynamic moduli of silica filled rubbers. We find good agreement between the model predictions and the experiments as function of the compatibilizer's molecular structure and its bulk concentration.}, language = {en} } @article{MeyerHentschkeHageretal.2017, author = {Meyer, Jan and Hentschke, Reinhard and Hager, Jonathan and Hojdis, Nils and Karimi-Varzaneh, Hossein Ali}, title = {Molecular Simulation of Viscous Dissipation due to Cyclic Deformation of a Silica-Silica Contact in Filled Rubber}, series = {Macromolecules}, volume = {50}, journal = {Macromolecules}, number = {17}, issn = {1520-5835}, doi = {10.1021/acs.macromol.7b00947}, pages = {6679 -- 6689}, year = {2017}, language = {en} } @article{HagerHentschkeHojdisetal.2015, author = {Hager, Jonathan and Hentschke, Reinhard and Hojdis, Nils and Karimi-Varzaneh, Hossein Ali}, title = {Computer Simulation of Particle-Particle Interaction in a Model Polymer Nanocomposite}, series = {Macromolecules}, volume = {48}, journal = {Macromolecules}, number = {24}, issn = {1520-5835}, doi = {10.1021/acs.macromol.5b01864}, pages = {9039 -- 9049}, year = {2015}, language = {en} }