A3 Multiscale Modeling and Simulation

Microstructural dependence of the fracture toughness of metallic thin films: A bulge test and atomistic simulation study on single-crystalline and polycrystalline silver films (2019) Preiß E, Lyu H, Liebig JP, Richter G, Gannott F, Gruber PA, Göken M, et al. Journal article, Original article Atomistic simulations of basal dislocations in Mg interacting with Mg17Al12 precipitates (2019) Vaid A, Guenole J, Prakash A, Korte-Kerzel S, Bitzek E Journal article Pd-Ga model SCALMS: Characterization and stability of Pd single atom sites (2019) Kettner M, Maisel S, Stumm C, Schwarz M, Schuschke C, Görling A, Libuda J Journal article Phosphonic Acids on an Atomically Defined Oxide Surface: The Binding Motif Changes with Surface Coverage (2018) Schuschke C, Schwarz M, Hohner C, Silva TN, Fromm L, Döpper T, Görling A, Libuda J Journal article Systematic Onset of Periodic Patterns in Random Disk Packings (2018) Topic N, Pöschel T, Gallas J Journal article, Original article Rotating robots move collectively and self-organize. (2018) Scholz C, Engel M, Pöschel T Journal article Increasing temperature of cooling granular gases (2018) Brilliantov N, Formella A, Pöschel T Journal article, Original article Dynamic equilibria in supported ionic liquid phase (SILP) catalysis: in situ IR spectroscopy identifies [Ru(CO)xCly]n species in water gas shift catalysis (2018) Bauer T, Stepic R, Wolf P, Kollhoff F, Karawacka W, Wick C, Haumann M, et al. Journal article, Original article From bismuth oxide/hydroxide precursor clusters towards stable oxides: Proton transfer reactions and structural reorganization govern the stability of [Bi18 O13 (OH)10]-nitrate clusters (2018) Walther M, Zahn D Journal article A Local Parallel Communication Algorithm for Polydisperse Rigid Body Dynamics (2018) Eibl S, Rüde U Journal article