@article{WallerBraunHojdisetal.2007,
  author    = {Waller, Mark P. and Braun, Heiko and Hojdis, Nils and B{\"u}hl, Michael},
  title     = {Geometries of Second-Row Transition-Metal Complexes from Density-Functional Theory},
  series = {Journal of Chemical Theory and Computation},
  volume    = {3},
  journal   = {Journal of Chemical Theory and Computation},
  number    = {6},
  issn      = {1549-9626},
  doi       = {10.1021/ct700178y},
  pages     = {2234 -- 2242},
  year      = {2007},
  language  = {en}
}
@article{SvaneborgKarimiVarzanehHojdisetal.2016,
  author    = {Svaneborg, Carsten and Karimi-Varzaneh, Hossein Ali and Hojdis, Nils and Fleck, Franz and Everaers, Ralf},
  title     = {Multiscale approach to equilibrating model polymer melts},
  series = {Physical Review E},
  volume    = {94},
  journal   = {Physical Review E},
  number    = {032502},
  publisher = {AIP Publishing},
  address   = {Melville, NY},
  issn      = {2470-0053},
  doi       = {10.1103/PhysRevE.94.032502},
  year      = {2016},
  abstract  = {We present an effective and simple multiscale method for equilibrating Kremer Grest model polymer melts of varying stiffness. In our approach, we progressively equilibrate the melt structure above the tube scale, inside the tube and finally at the monomeric scale. We make use of models designed to be computationally effective at each scale. Density fluctuations in the melt structure above the tube scale are minimized through a Monte Carlo simulated annealing of a lattice polymer model. Subsequently the melt structure below the tube scale is equilibrated via the Rouse dynamics of a force-capped Kremer-Grest model that allows chains to partially interpenetrate. Finally the Kremer-Grest force field is introduced to freeze the topological state and enforce correct monomer packing. We generate 15 melts of 500 chains of 10.000 beads for varying chain stiffness as well as a number of melts with 1.000 chains of 15.000 monomers. To validate the equilibration process we study the time evolution of bulk, collective, and single-chain observables at the monomeric, mesoscopic, and macroscopic length scales. Extension of the present method to longer, branched, or polydisperse chains, and/or larger system sizes is straightforward.},
  language  = {en}
}
@article{SvaneborgKarimiVarzanehHojdisetal.2018,
  author    = {Svaneborg, Carsten and Karimi-Varzaneh, Hossein Ali and Hojdis, Nils and Fleck, Franz and Everaers, Ralf},
  title     = {Kremer-Grest Models for Universal Properties of Specific Common Polymer Species},
  series = {Soft Condensed Matter},
  journal   = {Soft Condensed Matter},
  number    = {1606.05008},
  year      = {2018},
  abstract  = {The Kremer-Grest (KG) bead-spring model is a near standard in Molecular Dynamic simulations of generic polymer properties. It owes its popularity to its computational efficiency, rather than its ability to represent specific polymer species and conditions. Here we investigate how to adapt the model to match the universal properties of a wide range of chemical polymers species. For this purpose we vary a single parameter originally introduced by Faller and M{\"u}ller-Plathe, the chain stiffness. Examples include polystyrene, polyethylene, polypropylene, cis-polyisoprene, polydimethylsiloxane, polyethyleneoxide and styrene-butadiene rubber. We do this by matching the number of Kuhn segments per chain and the number of Kuhn segments per cubic Kuhn volume for the polymer species and for the Kremer-Grest model. We also derive mapping relations for converting KG model units back to physical units, in particular we obtain the entanglement time for the KG model as function of stiffness allowing for a time mapping. To test these relations, we generate large equilibrated well entangled polymer melts, and measure the entanglement moduli using a static primitive-path analysis of the entangled melt structure as well as by simulations of step-strain deformation of the model melts. The obtained moduli for our model polymer melts are in good agreement with the experimentally expected moduli.},
  language  = {en}
}
@article{SchwabHojdisLacayoetal.2016,
  author    = {Schwab, Lukas and Hojdis, Nils and Lacayo, Jorge and Wilhelm, Manfred},
  title     = {Fourier-Transform Rheology of Unvulcanized, Carbon Black Filled Styrene Butadiene Rubber},
  series = {Macromolecular Materials and Engineering},
  volume    = {301},
  journal   = {Macromolecular Materials and Engineering},
  number    = {4},
  publisher = {Wiley-VCH},
  address   = {Weinheim},
  issn      = {1439-2054},
  doi       = {10.1002/mame.201500356},
  pages     = {457 -- 468},
  year      = {2016},
  abstract  = {Rubber materials filled with reinforcing fillers display nonlinear rheological behavior at small strain amplitudes below γ0 < 0.1. Nevertheless, rheological data are analyzed mostly in terms of linear parameters, such as shear moduli (G′, G″), which loose their physical meaning in the nonlinear regime. In this work styrene butadiene rubber filled with carbon black (CB) under large amplitude oscillatory shear (LAOS) is analyzed in terms of the nonlinear parameter I3/1. Three different CB grades are used and the filler load is varied between 0 and 70 phr. It is found that I3/1(φ) is most sensitive to changes of the total accessible filler surface area at low strain amplitudes (γ0 = 0.32). The addition of up to 70 phr CB leads to an increase of I3/1(φ) by a factor of more than ten. The influence of the measurement temperature on I3/1 is pronounced for CB levels above the percolation threshold.},
  language  = {en}
}
@article{SchmidtTurgutLeetal.2020,
  author    = {Schmidt, Aaron C. and Turgut, Hatice and Le, Dao and Beloqui, Ana and Delaittre, Guillaume},
  title     = {Making the best of it: nitroxide-mediated polymerization of methacrylates via the copolymerization approach with functional styrenics},
  series = {Polymer Chemistry},
  volume    = {11},
  journal   = {Polymer Chemistry},
  number    = {2},
  publisher = {Royal Society of Chemistry (RSC)},
  address   = {Cambridge},
  doi       = {10.1039/C9PY01458F},
  pages     = {593 -- 604},
  year      = {2020},
  abstract  = {The SG1-mediated solution polymerization of methyl methacrylate (MMA) and oligo(ethylene glycol) methacrylate (OEGMA, Mₙ = 300 g mol⁻¹) in the presence of a small amount of functional/reactive styrenic comonomer is investigated. Moieties such as pentafluorophenyl ester, triphenylphosphine, azide, pentafluorophenyl, halide, and pyridine are considered. A comonomer fraction as low as 5 mol\% typically results in a controlled/living behavior, at least up to 50\% conversion. Chain extensions with styrene for both systems were successfully performed. Variation of physical properties such as refractive index (for MMA) and phase transition temperature (for OEGMA) were evaluated by comparing to 100\% pure homopolymers. The introduction of an activated ester styrene derivative in the polymerization of OEGMA allows for the synthesis of reactive and hydrophilic polymer brushes with defined thickness. Finally, using the example of pentafluorostyrene as controlling comonomer, it is demonstrated that functional PMMA-b-PS are able to maintain a phase separation ability, as evidenced by the formation of nanostructured thin films.},
  language  = {en}
}
@inproceedings{SauerbornLiebenstundRaueetal.2017,
  author    = {Sauerborn, Markus and Liebenstund, Lena and Raue, Markus and Mang, Thomas and Herrmann, Ulf and Dueing, Andreas},
  title     = {Analytic method for material aging and quality analyzing to forecast long time stability of plastic micro heliostat components},
  series = {AIP Conference Proceedings},
  volume    = {1850},
  booktitle = {AIP Conference Proceedings},
  number    = {1},
  doi       = {10.1063/1.4984388},
  pages     = {030045-1 -- 030045-8},
  year      = {2017},
  language  = {en}
}
@book{MuellerRath2015,
  author    = {M{\"u}ller, Bodo and Rath, Walter},
  title     = {Formulierung von Kleb- und Dichtstoffen: das kompetente Lehrbuch f{\"u}r Studium und Praxis},
  edition   = {3., vollst. {\"u}berarb. Aufl.},
  publisher = {Vincentz Network},
  address   = {Hannover},
  isbn      = {978-3-86630-605-9},
  pages     = {375 S. : Ill., graph. Darst},
  year      = {2015},
  language  = {de}
}
@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{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}
}
@book{Lauth2023,
  author    = {Lauth, Jakob},
  title     = {Physical chemistry in a nutshell: Basics for engineers and scientists},
  publisher = {Springer},
  address   = {Berlin},
  isbn      = {978-3-662-67636-3 (Softcover)},
  doi       = {10.1007/978-3-662-67637-0},
  pages     = {XIII, 248 Seiten},
  year      = {2023},
  abstract  = {This book is based on a multimedia course for biological and chemical engineers, which is designed to trigger students' curiosity and initiative. A solid basic knowledge of thermodynamics and kinetics is necessary for understanding many technical, chemical, and biological processes. The one-semester basic lecture course was divided into 12 workshops (chapters). Each chapter covers a practically relevant area of physical chemistry and contains the following didactic elements that make this book particularly exciting and understandable: - Links to Videos at the start of each chapter as preparation for the workshop - Key terms (in bold) for further research of your own - Comprehension questions and calculation exercises with solutions as learning checks - Key illustrations as simple, easy-to-replicate blackboard pictures Humorous cartoons for each workshop (by Faelis) additionally lighten up the text and facilitate the learning process as a mnemonic. To round out the book, the appendix includes a summary of the most popular experiments in basic physical chemistry courses, as well as suggestions for designing workshops with exhibits, experiments, and "questions of the day." Suitable for students minoring in chemistry; chemistry majors are sure to find this slimmed-down, didactically valuable book helpful as well. The book is excellent for self-study.},
  language  = {en}
}