AMS 01 02 Atomistic modelling of the Fe-C system
AMS 12 01 Development of analytic bond-order potentials for the simulation of complex intermetallic phases
AMS 12 02 Atomistic simulation of the kinetics of tcp formation
AMS 12 06 Modelling thermoelectric propertiesIn the first part of the project two sulphur systems will be selected based on the results of a high-throughput density functional investigations. The electronic transport properties of these two systems... Continue reading "Modelling thermoelectric properties"
AMS 13 01 Charge transfer in the atomistic simulation of carbide and nitride nanocomposite coatings
AMS 13 02 Development and application of bond-order potentials for SiC-TiC nanocomposite coatings
DEM A2 01 Trends in grain-boundary segregationThe project aims at building simplified models of the bonding which governs the segregation of light elements at and cohesion of grain boundaries in steel. The project is divided into three major parts.... Continue reading "Trends in grain-boundary segregation"
DFG SFB/TR103 C1 Comparison of Ni-based and Co-based superalloysSingle crystal superalloys based on Ni are commonly used as turbine blades in industrial gas turbines for aero engines and power plants. The observation of a stable Co3(Al,W) phase with L12 structure showed... Continue reading "Comparison of Ni-based and Co-based superalloys"
DFG VA205/3 2 Static and dynamic critical phenomenaAlthough critical phenomena have widely been investigated in the literature, almost all these studies consider the case of energy conserving systems. In particular, –to the best of our knowledge- no... Continue reading "Static and dynamic critical phenomena"
EXT 08 02 Modelling of pine-tree nanowiresRainer SchulzRobert Spatschek Max-Planck Institute for Iron Research, Düsseldorf Nanowires are thin wires (e.g. metal) which are severely restricted in 2 dimensions of space and show a one-dimensional... Continue reading "Modelling of pine-tree nanowires"
LWW 03 01 Functional and structural fatigue of shape memory alloys
MMM 02 02 Grain boundaries in polycrystals: Bridging the scales
MMM 06 01 Brittle-to-ductile transition in tungsten single and polycrystals: Microstructure and failure mechanisms
MMM 15 01 Micromechanical modelling of fatigue lifetimes in bearing steels
MMM 15 03 Influence of inclusions on the evolution of the cyclic stress-strain curve
STKS 02 01 Void drag model for Grain GrowthMulti-phase field (MPF) and molecular dynamics (MD) simulations have been applied to study nanograin growth mechanisms. At mesoscale level, prominent properties of nanostructured materials, e.g. the grain... Continue reading "Void drag model for Grain Growth"
STKS 03 01 Plastic effects on the kinetics of phase transformations
STKS 03 02 Gibbs free energy with elasticity
STKS 04 01 Multiscale simulation of metal-polymer hybrid materials
STKS 05 01 Phase field modelling of large deformationsDuring simulation of phase transformations large lattice parameter changes (i.e. eigenstrains) might occur. The standard linear elasticity which is typically used in phase field simulations proved to be... Continue reading "Phase field modelling of large deformations"
STKS 08 02 Secondary-phase particle drag and pinningSecondary-phase particles are frequently observed in different alloys: light elements, e.g. carbon, boron, nitrogen and oxygen within multicomponent alloys may convert to carbides, borides, nitrides and... Continue reading "Secondary-phase particle drag and pinning"
STKS 08 04 Precipitation and deformation in Al-alloysAluminium alloys importance on the broad fields of engineering is unbroken and therefore the research of scientific backgrounds is still of significant interest. The understanding of complex processing... Continue reading "Precipitation and deformation in Al-alloys"
STKS 09 01 Phase-field simulation of diffusion couplesLinking thermodynamic and atomic mobility databases with two-dimensional phase-field simulation, the evolution of interdiffusion microstructures in a series of Ni–Al diffusion couples associated with... Continue reading "Phase-field simulation of diffusion couples"
STKS 09 02 Thermodynamics and interdiffusion at interfaces with a potential jump
STKS 11 03 Express Support for CALPHAD usersSTKS has expertise in Thermodynamic and Diffusion Calculations and can provide solutions for related problems by internal and external demands. Support on simulations, information about thermodynamic models,... Continue reading "Express Support for CALPHAD users"
STKS 11 04 Sapiens MundiIn order to use all theoretical tools available for modeling Gibbs energies, a new type of CALPHAD Gibbs energy database is created and extended to include more elements such as Co, MN, Nb, Re, Ru, Ti,... Continue reading "Sapiens Mundi"
STKS 16 04 Mg-Al alloy solidificationThe 3D grain structure of an Mg-Al alloy after solidification will be simulated. Nucleation will be treated according to the model as described in dependent on the balance between heat extraction and release... Continue reading "Mg-Al alloy solidification"
STKS 17 01 Solid-State and Viscous SinteringThe project aims on reaching a qualitative understanding about the principal mechanisms of sintering, their relative importance and the feasibility of numerical treatments..Continue reading "Solid-State and Viscous Sintering"
STKS 18 02 Kinetics of batteries and related systemsDespite the exciting developments in the field of lithium ion batteries as energy storage devices, there are severe issues restricting their capacity and cycleability, arising e.g. from volume expansion... Continue reading "Kinetics of batteries and related systems"