Projects
AMS 03 01 Atomistic modelling of the kinetics of solid-solid phase transformations
In solidification theory the properties of solid-liquid interfaces such as the interface energy, interface mobility, anisotropy etc., are of great interest since they determine to a large extend the nucleation... Continue reading "Atomistic modelling of the kinetics of solid-solid phase transformations"AMS 03 02 Kinetics of the formation of complex phases in steel
Within this project the growth of complex phases is investigated using molecular dynamics and adaptive kinetic Monte Carlo simulations. One of the focus points is the development of a polyhedron analysis... Continue reading "Kinetics of the formation of complex phases in steel"AMS 03 03 Atomistic simulations of structural rearrangements at solid-solid interfaces
A common problem in high-performance materials such as Ni-base superalloys is the formation of topologically close-packed (TCP) phases, which deprive the bulk matrix of the alloying refractory metals and... Continue reading "Atomistic simulations of structural rearrangements at solid-solid interfaces"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
DFG FOR1766 TP3 Atomistic modelling of phase transitions in high-temperature shape memory alloys
Since the discovery of shape memory alloys (SMAs), much progress has been made both in the scientific understanding and application of these multifunctional materials. Because of their unique behaviour... Continue reading "Atomistic modelling of phase transitions in high-temperature shape memory alloys"EXT 08 01 Heterogeneous nucleation and microstructure formation
Guillaume BoussinotRobert SpatschekMax-Planck Institute for Iron Research, Düsseldorf Heterogeneous nucleation and the growth of microstructures are often accompanied by elastic deformations... Continue reading "Heterogeneous nucleation and microstructure formation"EXT 08 02 Modelling of pine-tree nanowires
Rainer 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"IEHK 05 02 Diffusion controlled bainitic phase transformation
The bainitic structure is of considerable importance in the design of high strength steels because of its combination of excellent strength and toughness. This project aims at the description of bainitic... Continue reading "Diffusion controlled bainitic phase transformation"LWW 03 02 Phase stabilities and martensitic transformations in Ti-Ta alloys
The proposed work is required as a start-up project for a new DFG research group on high temperature shape memory alloys. The aim is to provide preliminary results that are urgently required for the initial... Continue reading "Phase stabilities and martensitic transformations in Ti-Ta alloys"MMM 02 07 Metadynamics simulations to determine the free energy of grain boundaries during shear
Grain boundaries in metals and alloys influence the deformability and strength of the material. They interact with dislocations and represent weak links in the microstructure at which cracks can nucleate.... Continue reading "Metadynamics simulations to determine the free energy of grain boundaries during shear"Ceramic thermal barrier coatings (TBCs) are applied on actively cooled turbine blades to reduce the thermal load on the metallic blades and, hence to increase their service time. Large-scale molecular... Continue reading "Large-scale molecular dynamics simulation of growth, microstructure and properties of plasma-sprayed coatings"
STKS 02 01 Void drag model for Grain Growth
Multi-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"This project wass dedicated
to the understanding of coherent precipitates
in shape memory alloys, and a more detailed
description of the findings is given below. This
project was completed at the end... Continue reading "Interrelation between thermodynamics and elasticity in solid state precipitation in austenitic materials"
STKS 08 02 Secondary-phase particle drag and pinning
Secondary-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 03 Stability in production processes - metallic semi-finished texture development
Production processes are generally dependent on a stable process window in order to be industrially usable. By modern management and control procedures, the working range can be expanded in a stable process... Continue reading "Stability in production processes - metallic semi-finished texture development"STKS 08 04 Precipitation and deformation in Al-alloys
Aluminium 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"Coherent/semi-coherent precipitates obtained per aging are important strengthener of light and tough materials such as Al-alloys, involving phase transformation and change of internal stress and local... Continue reading "Evolution of strengthening phases under in-service stresses and temperatures: phase-field and experimental study"
STKS 09 01 Phase-field simulation of diffusion couples
Linking 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 09 03 Phase-field simulation of diffusion couples with an augmented multi-phase-field approach
Diffusion couple experiments are effective tools in investigation of alloy thermodynamics and kinetics, but their advantages can be counter balanced by the overlap of different mechanisms. Thus, computer... Continue reading "Phase-field simulation of diffusion couples with an augmented multi-phase-field approach"STKS 16 02 3D phase field-lattice Boltzmann modeling of microstructure evolution in binary alloys
The aim of this project is the development of a phase-field based lattice Boltzmann method to investigate the solidification of binary alloys taking into account the effects of diffusion, convection and... Continue reading "3D phase field-lattice Boltzmann modeling of microstructure evolution in binary alloys"STKS 16 04 Mg-Al alloy solidification
The 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 16 05 Three dimensional simulations of flow effects on dendritic spacing: a study of the scaling laws
The fundamental problem of the selection of the primary spacing of dendritic arrays in directional solidification is reasonably well understood in the absence of convection. The theoretical model by Warren... Continue reading "Three dimensional simulations of flow effects on dendritic spacing: a study of the scaling laws"STKS 18 02 Kinetics of batteries and related systems
Despite 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"
