| An Arlequin-based method to couple molecular dynamics and finite element simulations of amorphous polymers and nanocomposites S Pfaller, M Rahimi, G Possart, P Steinmann, F Müller-Plathe, MC Böhm Computer Methods in Applied Mechanics and Engineering 260, 109-129, 2013 | 72 | 2013 |
| Nonperiodic stochastic boundary conditions for molecular dynamics simulations of materials embedded into a continuum mechanics domain M Rahimi, HA Karimi-Varzaneh, MC Böhm, F Müller-Plathe, S Pfaller, ... The Journal of chemical physics 134 (15), 2011 | 48 | 2011 |
| A coupled MD-FE methodology to characterize mechanical interphases in polymeric nanocomposites M Ries, G Possart, P Steinmann, S Pfaller International Journal of Mechanical Sciences 204, 106564, 2021 | 34 | 2021 |
| A comparison of staggered solution schemes for coupled particle–continuum systems modeled with the Arlequin method S Pfaller, G Possart, P Steinmann, M Rahimi, F Müller-Plathe, MC Böhm Computational Mechanics 49, 565-579, 2012 | 32 | 2012 |
| A viscoelastic-viscoplastic constitutive model for glassy polymers informed by molecular dynamics simulations W Zhao, M Ries, P Steinmann, S Pfaller International Journal of Solids and Structures 226, 111071, 2021 | 31 | 2021 |
| Investigation of interphase effects in silica-polystyrene nanocomposites based on a hybrid molecular-dynamics–finite-element simulation framework S Pfaller, G Possart, P Steinmann, M Rahimi, F Müller-Plathe, MC Böhm Physical Review E 93 (5), 052505, 2016 | 30 | 2016 |
| Extensive CGMD simulations of atactic PS providing pseudo experimental data to calibrate nonlinear inelastic continuum mechanical constitutive laws M Ries, G Possart, P Steinmann, S Pfaller Polymers 11 (11), 1824, 2019 | 27 | 2019 |
| Uniaxial deformation of polystyrene–silica nanocomposites studied by hybrid molecular dynamics–finite element simulations S Liu, S Pfaller, M Rahimi, G Possart, P Steinmann, MC Böhm, ... Computational Materials Science 129, 1-12, 2017 | 27 | 2017 |
| Optimisation of the capriccio method to couple particle-and continuum-based simulations of polymers S Pfaller, A Kergaßner, P Steinmann Multiscale Science and Engineering 1, 318-333, 2019 | 25 | 2019 |
| A particle‐continuum coupling method for multiscale simulations of viscoelastic–viscoplastic amorphous glassy polymers W Zhao, P Steinmann, S Pfaller International Journal for Numerical Methods in Engineering 122 (24), 7431-7451, 2021 | 21 | 2021 |
| A quantitative interphase model for polymer nanocomposites: Verification, validation, and consequences regarding size effects M Ries, F Weber, G Possart, P Steinmann, S Pfaller Composites Part A: Applied Science and Manufacturing 161, 107094, 2022 | 16 | 2022 |
| Addressing surface effects at the particle-continuum interface in a molecular dynamics and finite elements coupled multiscale simulation technique Y Jain, M Ries, S Pfaller, F Müller-Plathe Journal of Chemical Theory and Computation 18 (4), 2375-2387, 2022 | 14 | 2022 |
| Characterization of polystyrene under shear deformation using molecular dynamics M Ries, P Steinmann, S Pfaller Developments and novel approaches in nonlinear solid body mechanics, 219-229, 2020 | 14 | 2020 |
| Multiscale simulation of polymers S Pfaller Coupling of Continuum Mechanics and Particle-Based Modelling 16, 2015 | 11 | 2015 |
| Applying a generic and fast coarse-grained molecular dynamics model to extensively study the mechanical behavior of polymer nanocomposites M Ries, J Seibert, P Steinmann, S Pfaller Express Polymer Letters 16 (12), 1304-1321, 2022 | 9 | 2022 |
| Accelerating molecular dynamics simulations by a hybrid molecular dynamics-continuum mechanical approach C Bauer, M Ries, S Pfaller Soft Materials 20 (4), 428-443, 2022 | 8 | 2022 |
| Characterization of the material behavior and identification of effective elastic moduli based on molecular dynamics simulations of coarse-grained silica M Ries, C Bauer, F Weber, P Steinmann, S Pfaller Mathematics and Mechanics of Solids 28 (5), 1216-1231, 2023 | 7 | 2023 |
| The hybrid capriccio method: A 1d study for further advancement M Ries, P Steinmann, S Pfaller Proceedings of World Congress on Computational Mechanics, submitted, 2021 | 7 | 2021 |
| Discrete and continuous methods for modelling and simulation of polymer materials S Pfaller Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU), 2021 | 7 | 2021 |
| A concurrent MD-FE coupling method towards simulations of fracture of thermoplastic polymers W Zhao, S Pfaller Proceedings of XVI International Conference on Computational Plasticity …, 2021 | 6 | 2021 |
