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: research of a high-resolution, contactless sensor technology for robust torque determination for efficient E-mobility solutions – TorMaSens –
Contact information: Dr.-Ing. Peter Binkele 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
Contact information: Dr. rer. nat. Stephen Hocker E-Mail
Contact information: Dr. rer. nat. Hansjörg Lipp E-Mail
MD simulations of strengthening by graphene in iron crystals
Contact information: Dr. rer. nat. Stephen Hocker E-Mail
Contact information: Dr. rer. nat. Hansjörg Lipp E-Mail
Contact information: Dennis Rapp, M.Sc. E-Mail
Simulations of hydrogen embrittlement in Ni-based super alloys
Contact information: Xiang Xu, M.Sc. E-Mail
Nanoscale modelling of mechanical behaviour of crystals with structure gradients: atomistic simulations of nickel base super alloys
Contact information: Dr. rer. nat Christopher Kohler E-Mail
Nanoscale modelling of the nanoindentation test on ultrahard metal carbide shift systems
Contact information: Dr. rer. nat Peter Kizler
Atomistic simulation of solid solution strengthening in iron
Contact information: Dr. rer. nat Christopher Kohler E-Mail
Calculation of residual stress, stemming from coherent nanoscale precipitates
Contact information: Dr.-Ing. Peter Binkele E-Mail
Molecular-dynamic modelling and validation of the manufacturing and the structure-characteristics correlations of SiC/SiN-nano laminates
Contact information: Dipl.-Phys. Alen-Pilip Prskalo E-Mail
Multi-scale simulation for the structure optimization of particle distributions in the energy system Fe-Cu-Ni-Mn
Contact information: Dr. rer. nat Alejandro Mora E-Mail
Multi-scale simulations of metals
Contact information: Dipl.-Phys. David Molnar
MD-simulations of strengthening with GP-zones in the system Al-Cu
Contact information: Dipl.-Phys. Martin Hummel E-Mail
Improved toughness/stiffness balance of nanoparticle filled polyamide composites – simulation supported property/morphology correlation
Contact information: Dipl.-Ing. Jing Wiedmaier, geb. Huang
Contact information: Dipl.-Ing. Wolfgang Verestek E-Mail
Scale bridging techniques from atomic scale to continuum level for plasticity
Contact information: Dennis Rapp, M. Sc. E-Mail
Atomistic simulation of inner interfaces with copper-based alloys (SFB 716, subprojekt B.2)
Contact information: Dr. rer. nat Stephen Hocker E-Mail
Molecular-dynamic simulations about the influence of precipitates on the localization of strains in aged Al-Mg-alloys
Contact information: Dipl.-Phys. Martin Hummel E-Mail
Machine-learning approach to Dislocation Dynamics
Contact information: Dennis Rapp, M. Sc. E-Mail
Experimental and numerical qualification of morphology/characteristics-correlations by means of the essential-work-of-fracture method (EWF) by the example of polymer blends
Contact information: Dipl.-Ing. Wolfgang Verestek E-Mail
Contact information: Mario Mlikota mag. ing. mech. E-Mail
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
Siegfried Schmauder
Prof. Dr. rer. nat. Dr. h. c.Department Head of Multi-Scale Simulation
Peter Binkele
Dr.-Ing.Team leader in the field of atomism