TY - JOUR A1 - Titscher, Thomas A1 - Unger, Jörg F. T1 - Application of molecular dynamics simulations for the generation of dense concrete mesoscale geometries JF - Computers & Structures N2 - The problem of polydisperse sphere packings is applied to concrete mesoscale geometries in finite sized specimens. Realistic sphere diameter distributions are derived from concrete grading curves. An event-driven molecular dynamics simulation using growing particles is introduced. Compared to the widely used random sequential addition algorithm, it reaches denser aggregate packings and saves computation time at high volume fractions. A minimal distance between particles strongly influences the maximum aggregate content. It is essential to obtain undistorted elements when meshing the geometry for finite element simulations. The algorithm maximizes this value and produces meshable concrete mesostructures with more than 70% aggregate content. KW - Polydisperse sphere packing KW - Mesoscale geometry KW - Concrete mesostructure KW - Molecular dynamics PY - 2015 DO - https://doi.org/10.1016/j.compstruc.2015.06.008 SN - 0045-7949 SN - 0366-7138 VL - 158 SP - 274 EP - 284 PB - Pergamon Press CY - Oxford AN - OPUS4-34190 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -