Nanosimulation

The research field Nanosimulation at the IMWF

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

00:16
© IMWF

Movement of relocation in ferric steel with copper precipitates
Contact information:  Dr. rer. nat Stephen Hocker    E-Mail

00:30
© IMWF

Molecular-dynamic simulation of relocation movement in an aluminium alloy with Guinier-Preston-zones, Simulation 1
Contact information: Dipl.-Ing. Wolfgang Verestek    E-Mail

00:30
© IMWF

Molecular-dynamic simulation of relocation movement in an aluminium alloy with Guinier-Preston-zones, Simulation 2
Contact information: Dipl.-Ing. Wolfgang Verestek    E-Mail

01:19
© IMWF

Molecular-dynamic simulation of a relocation formation during tensile test on a aluminium poly crystal
Contact information: Dipl.-Phys. Martin Hummel     E-Mail

01:00
© IMWF

Molecular-dynamic simulation of an impact of a bullet in a porous structure
Contact information: Dipl.-Phys. Martin Hummel     E-Mail

00:51
© IMWF

Nanoscratching with a Berkovich-Intender on Al substrate by molecular dynamics
Contact information: Dipl.-Ing. Wolfgang Verestek     E-Mail

Contact information

This image shows Peter Binkele

Peter Binkele

Dr.-Ing.

Team leader in the field of atomism

To the top of the page