Ries, Maximilian, M.Sc.
Maximilian Ries, M. Sc.
Teilprojekt P6 - Fracture in Thermoplastics: Discrete-to-Continuum
(Third Party Funds Group – Sub project)Overall project: Fracture across Scales: Integrating Mechanics, Materials Science, Mathematics, Chemistry, and Physics (FRASCAL)
Term: 2. January 2019 - 30. June 2023
Funding source: DFG / Graduiertenkolleg (GRK)
Nanocomposites have great potential for various applications since their properties may be tailored to particular needs. One of the most challenging fields of research is the investigation of mechanisms in nanocomposites which improve for instance the fracture toughness even at very low filler contents. Several failure processes may occur like crack pinning, bi-furcation, deflections, and separations. Since the nanofiller size is comparable to the typical dimensions of the monomers of the polymer chains, processes at the level of atoms and molecules have to be considered to model the material behaviour properly. In contrast, a pure particle-based description becomes computationally prohibitive for system sizes relevant in engineering. To overcome this, only e.g. the crack tip shall be resolved to the level of atoms or superatoms in a coarse-graining (CG) approach.
Thus, this project aims to extend the recently developed multiscale Capriccio method to adaptive particle-based regions moving within the continuum. With such a tool at hand, only the vicinity of a crack tip propagating through the material has to be described at CG resolution, whereas the remaining parts may be treated continuously with significantly less computational effort.
A coupled MD-FE methodology to characterize mechanical interphases in polymeric nanocomposites
In: International Journal of Mechanical Sciences (2021), p. 106564
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The Hybrid Capriccio Method: A 1D Study for Further Advancement
14th World Congress on Computational Mechanics (WCCM) (, 11. January 2021 - 11. January 2021)
In: F. Chinesta, R. Abgrall, O. Allix, M. Kaliske (ed.): Multiscale and Multiphysics Systems, 2021 2021
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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. January 2021 - 15. January 2021)
In: F. Chinesta, R. Abgrall, O. Allix and M. Kaliske (ed.): Multiscale and Multiphysics Systems, 2021 2021
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A viscoelastic-viscoplastic constitutive model for glassy polymers informed by molecular dynamics simulations
In: International Journal of Solids and Structures (2021), p. 111071
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Characterization of Polystyrene Under Shear Deformation Using Molecular Dynamics
In: Developments and Novel Approaches in Nonlinear Solid Body Mechanics, Springer, Cham, 2020, p. 219-229
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Extensive CGMD simulations of atactic PS providing pseudo experimental data to calibrate nonlinear inelastic continuum mechanical constitutive laws
In: Polymers 11 (2019), Article No.: 1824
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Investigation of the Mechanical Behavior of Polystyrene using Molecular Dynamics
In: Proceedings in Applied Mathematics and Mechanics 19 (2019)
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