Publications
2021
- Bauer C., Pfaller S.:
Combined continuum mechanics and molecular dynamics approach for uniaxial deformation of a thermoplastic polymer
In: Proceedings in Applied Mathematics and Mechanics 20 (2021)
ISSN: 1617-7061
DOI: 10.1002/pamm.202000149
- Birang Oskouei S., Park HS., Smith AS., Steinmann P.:
Atomistic configurational forces in crystalline fracture
In: Forces in Mechanics 4 (2021), S. 100044
ISSN: 2666-3597
DOI: 10.1016/j.finmec.2021.100044
- Birang Oskouei S., Steinmann P.:
Discrete configurational mechanics for the computational study of atomistic fracture mechanics
In: Forces in Mechanics 2 (2021), S. 100009
ISSN: 2666-3597
DOI: 10.1016/j.finmec.2020.100009
- Hiemer S., Zapperi S.:
From mechanism-based to data-driven approaches in materials science
In: Materials Theory 5 (2021), Art.Nr.: 4
ISSN: 2509-8012
DOI: 10.1186/s41313-021-00027-3
- Hosseini S., Moretti P., Konstantinidis D., Zaiser M.:
Beam network model for fracture of materials with hierarchical microstructure
In: International Journal of Fracture (2021)
ISSN: 1573-2673
DOI: 10.1007/s10704-020-00511-w
- Konrad J., Meißner RH., Bitzek E., Zahn D.:
A Molecular Simulation Approach to Bond Reorganization in Epoxy Resins: From Curing to Deformation and Fracture
In: ACS Polymers Au (2021), Art.Nr.: acspolymersau.1c00016
ISSN: 2694-2453
DOI: 10.1021/acspolymersau.1c00016
- Konrad J., Zahn D.:
Assessing the mechanical properties of molecular materials from atomic simulation
In: AIMS Materials Science 8 (2021), S. 867-880
ISSN: 2372-0468
DOI: 10.3934/matersci.2021053
- Kumar P., Mergheim J.:
Size Effects in Computational Homogenization of Polymer Nano-Composites
In: Proceedings in Applied Mathematics & Mechanics 2021
DOI: 10.1002/pamm.202000047
URL: https://onlinelibrary.wiley.com/doi/abs/10.1002/pamm.202000047
- Kumar P., Steinmann P., Mergheim J.:
Enhanced computational homogenization techniques for modelling size effects in polymer composites
In: Computational Mechanics (2021)
ISSN: 0178-7675
DOI: 10.1007/s00466-021-02037-x
- Livraghi M., Höllring K., Wick C., Smith DM., Smith AS.:
An Exact Algorithm to Detect the Percolation Transition in Molecular Dynamics Simulations of Cross-Linking Polymer Networks
In: Journal of Chemical Theory and Computation (2021), Art.Nr.: acs.jctc.1c00423
ISSN: 1549-9618
DOI: 10.1021/acs.jctc.1c00423
- Ries M., Jain Y., Steinmann P., Pfaller S.:
Revised Boundary Conditions for FE-MD Multiscale Coupling of Amorphous Polymers
VIII Conference on Mechanical Response of Composites (Online, 22. September 2021 - 24. September 2021)
DOI: 10.23967/composites.2021.014
- Ries M., Possart G., Steinmann P., Pfaller S.:
A coupled MD-FE methodology to characterize mechanical interphases in polymeric nanocomposites
In: International Journal of Mechanical Sciences (2021), S. 106564
ISSN: 0020-7403
DOI: 10.1016/j.ijmecsci.2021.106564
- Ries M., Steinmann P., Pfaller S.:
The Hybrid Capriccio Method: A 1D Study for Further Advancement
14th World Congress on Computational Mechanics (WCCM) (, 11. Januar 2021 - 11. Januar 2021)
In: F. Chinesta, R. Abgrall, O. Allix, M. Kaliske (Hrsg.): Multiscale and Multiphysics Systems, 2021 2021
DOI: 10.23967/wccm-eccomas.2020.335
- Ries M., Weber F., Striegel M., Steinmann P., Pfaller S.:
Multiscale FE-MD Coupling: Influence of the Chain Length on the Mechanical Behavior of Coarse-Grained Polystyrene
14th World Congress on Computational Mechanics (WCCM) (, 11. Januar 2021 - 15. Januar 2021)
In: F. Chinesta, R. Abgrall, O. Allix and M. Kaliske (Hrsg.): Multiscale and Multiphysics Systems, 2021 2021
DOI: 10.23967/wccm-eccomas.2020.214
- Schmidt I., Albert J., Ritthaler M., Papastavrou A., Steinmann P.:
Bone fracture healing within a continuum bone remodelling framework
In: Computer Methods in Biomechanics and Biomedical Engineering (2021)
ISSN: 1025-5842
DOI: 10.1080/10255842.2021.1998465
- Schmidt I., Papastavrou A., Steinmann P.:
Concurrent consideration of cortical and cancellous bone within continuum bone remodelling
In: Computer Methods in Biomechanics and Biomedical Engineering (2021)
ISSN: 1025-5842
DOI: 10.1080/10255842.2021.1880573
- Singh S., Pflug L., Stingl M.:
Material optimization to enhance delamination resistance of composite structures using viscous regularization
In: Computer Methods in Applied Mechanics and Engineering (2021)
ISSN: 0045-7825
DOI: 10.1016/j.cma.2021.113881
URL: https://www.sciencedirect.com/science/article/pii/S0045782521002188
- Singh S., Stingl M.:
Material optimization for controlling interfacial damage in composite structures
In: Proceedings in Applied Mathematics and Mechanics 20 (2021)
ISSN: 1617-7061
DOI: 10.1002/pamm.202000344
- Zhao W., Pfaller S.:
The Capriccio method: a scale bridging approach for polymers extended towards inelasticity
In: Proceedings in Applied Mathematics and Mechanics 20 (2021)
ISSN: 1617-7061
DOI: 10.1002/pamm.202000301
- Zhao W., Ries M., Steinmann P., Pfaller S.:
A viscoelastic-viscoplastic constitutive model for glassy polymers informed by molecular dynamics simulations
In: International Journal of Solids and Structures (2021), S. 111071
ISSN: 0020-7683
DOI: 10.1016/j.ijsolstr.2021.111071
- Zhao W., Steinmann P., Pfaller S.:
A particle‐continuum coupling method for multiscale simulations of viscoelastic‐viscoplastic amorphous glassy polymers
In: International Journal for Numerical Methods in Engineering (2021)
ISSN: 0029-5981
DOI: 10.1002/nme.6836
2020
- Colón Quintana JL., Hiemer S., Granda Duarte N., Osswald T.:
Implementation of shear thinning behavior in the fused filament fabrication melting model: Analytical solution and experimental validation
In: Additive Manufacturing (2020), Art.Nr.: 101687
ISSN: 2214-7810
DOI: 10.1016/j.addma.2020.101687
- Davydov D., Kronbichler M.:
Algorithms and Data Structures for Matrix-Free Finite Element Operators with MPI-Parallel Sparse Multi-Vectors
In: ACM Transactions on Parallel Computing 7 (2020), S. 1-30
ISSN: 2329-4949
DOI: 10.1145/3399736
- Esfandiary S., Safari A., Renner J., Moretti P., Muñoz MÁ.:
Anomalous Lifshitz dimension in hierarchical networks of brain connectivity
In: Physical Review Research 2 (2020), Art.Nr.: 043291
ISSN: 2643-1564
DOI: 10.1103/PhysRevResearch.2.043291
- Meißner RH., Konrad J., Boll B., Fiedler B., Zahn D.:
Molecular Simulation of Thermosetting Polymer Hardening: Reactive Events Enabled by Controlled Topology Transfer
In: Macromolecules (2020)
ISSN: 0024-9297
DOI: 10.1021/acs.macromol.0c02222
- Papastavrou A., Schmidt I., Deng K., Steinmann P.:
On age-dependent bone remodeling
In: Journal of Biomechanics (2020), Art.Nr.: 109701
ISSN: 0021-9290
DOI: 10.1016/j.jbiomech.2020.109701
- Papastavrou A., Schmidt I., Steinmann P.:
On biological availability dependent bone remodeling
In: Computer Methods in Biomechanics and Biomedical Engineering (2020)
ISSN: 1025-5842
DOI: 10.1080/10255842.2020.1736050
- Ries M., Steinmann P., Pfaller S.:
Characterization of Polystyrene Under Shear Deformation Using Molecular Dynamics
In: Developments and Novel Approaches in Nonlinear Solid Body Mechanics, Springer, Cham, 2020, S. 219-229
ISBN: 9783030504595
DOI: 10.1007/978-3-030-50460-1_14
- Ritter J., Löwe H., Gaume J.:
Microstructural controls of anticrack nucleation in highly porous brittle solids
In: Scientific Reports 10 (2020), Art.Nr.: 12383
ISSN: 2045-2322
DOI: 10.1038/s41598-020-67926-2
- Spannraft L., Ekh M., Larsson F., Runesson K., Steinmann P.:
Grain boundary interaction based on gradient crystal inelasticity and decohesion
In: Computational Materials Science 178 (2020), Art.Nr.: 109604
ISSN: 0927-0256
DOI: 10.1016/j.commatsci.2020.109604
2019
