The research field Nanosimulation
In this field of work, simulations of different materials are performed on the atomic scale. Here, ab initio methods, classical molecular dynamics simulations and atomistic Monte-Carlo-simulations are used. Also, scale spanning projects with simulations on the mesoscale (e.g. dislocation dynamics and phase field method) are carried out.
Overview over the projects in nanosimulation
Joint project: Digital strategy for the development of new, hot crack-resistant Al powder alloys for SLM (DiStAl) - Subproject: Investigation of the hot cracking resistance in Al powder alloys, taking into account SLM-specific boundary conditions.
Contact information: Dr.-Ing Peter Binkele E-Mail ; Dennis Rapp, M.Sc. E-Mail
Investigation of the particle strengthening mechanism during creep of TaC strengthened Co-Re based alloys
Contact information: Dennis Rapp, M.Sc. E-Mail
MD simulations of strengthening by graphene in iron crystals
Contact information: Dennis Rapp, M.Sc. E-Mail
Simulations of hydrogen embrittlement in Ni-based super alloys
Joint project: research of a high-resolution, contactless sensor technology for robust torque determination for efficient E-mobility solutions – TorMaSens
Nanoscale modelling of mechanical behaviour of crystals with structure gradients: atomistic simulations of nickel base super alloys
Nanoscale modelling of the nanoindentation test on ultrahard metal carbide shift systems
Atomistic simulation of solid solution strengthening in iron
Calculation of residual stress, stemming from coherent nanoscale precipitates
Molecular-dynamic modelling and validation of the manufacturing and the structure-characteristics correlations of SiC/SiN-nano laminates
Multi-scale simulation for the structure optimization of particle distributions in the energy system Fe-Cu-Ni-Mn
Multi-scale simulations of metals
MD-simulations of strengthening with GP-zones in the system Al-Cu
Improved toughness/stiffness balance of nanoparticle filled polyamide composites – simulation supported property/morphology correlation
Scale bridging techniques from atomic scale to continuum level for plasticity
Atomistic simulation of inner interfaces with copper-based alloys (SFB 716, subprojekt B.2)
Molecular-dynamic simulations about the influence of precipitates on the localization of strains in aged Al-Mg-alloys
Machine-learning approach to Dislocation Dynamics
Experimental and numerical qualification of morphology/characteristics-correlations by means of the essential-work-of-fracture method (EWF) by the example of polymer blends
Animations
Movement of relocation in ferric steel with copper precipitates
Contact information: Dr. rer. nat Stephen Hocker E-Mail
Molecular-dynamic simulation of relocation movement in an aluminium alloy with Guinier-Preston-zones, Simulation 1
Contact information: Dipl.-Ing. Wolfgang Verestek E-Mail
Molecular-dynamic simulation of relocation movement in an aluminium alloy with Guinier-Preston-zones, Simulation 2
Contact information: Dipl.-Ing. Wolfgang Verestek E-Mail
Molecular-dynamic simulation of a relocation formation during tensile test on a aluminium poly crystal
Contact information: Dipl.-Phys. Martin Hummel E-Mail
Molecular-dynamic simulation of an impact of a bullet in a porous structure
Contact information: Dipl.-Phys. Martin Hummel E-Mail
Nanoscratching with a Berkovich-Intender on Al substrate by molecular dynamics
Contact information: Dipl.-Ing. Wolfgang Verestek E-Mail
Contact information
Peter Binkele
Dr.-Ing.Team leader in the field of atomism