Using machine learning in molecular dynamics simulations of complex systems.
Structure, dynamics and thermodynamics from atomistic simulations
From ab initio to the simulations of nanoclusters in few steps
Quantitative characterization of materials with ion beams at the Central Unit for Ion Beams and Radionuclides (RUBION)
Using a Physical Property Measurement System to control and modify a sample during a measurement
Providing insights into bonding states and the growth behaviour of coatings
Using atomic probe tomography to get an insight into the 3D atomic-scale chemistry and structure of materials
Understanding materials through their microstructure
Assessing chemical and phase stability inhomogeneities by combining composition and phase maps
A way to more accurate efficient simulations
Reducing Effort by Micromechanical Simulations
An Efficient Sampling of the Grain Boundary Parameter Space
Exemplified by Textures of Solidification Structures in Powder Samples
Automatic Characterization of Material Morphologies with Advanced Computer Vision Techniques
One Step in the Digitalization Process of Knowledge
Molecular sieving with a natural two-dimensional membrane
A Way for Substitution of Primary Resources
New simulation model the considering chemical composition and initial microstructure
At the Department for Microstructure Physics and Alloy Design at the Max-Planck-Institut für Eisenforschung
Materials are ubiquitous. They affect every aspect of our daily lives. They are the basis for today’s cutting edge technologies and the availability of novel materials and efficient processing routes determine the pace at which innovations can proceed. This makes materials important to help mankind to find the right technological answers in the fields of energy, transport, health, housing and environment.
The SFB/Transregio 103 is a collaborative research center funded by the German Research Association DFG. It has reached its third four year finding period and focusses on Ni-base superalloy single crystals (SX).
Project B7 of the SFB/TR 103 aims at contributing to a better understanding of the formation and nature of crystal defects in single crystal Ni-base superalloys.
Relating local atomic geometry at defects and interfaces to local bond chemistry in single-crystal Ni-base and Co-base superalloys.
In order to enable further optimization of superalloys, there must be systematic investigations into the influence of individual alloying elements on several aspects. Project B8 serves this purpose by investigating the influence of Co, Ni, Cr, and W, on phase stability, diffusion kinetics, the energy of planar defects, all of which are playing major roles in creep of superalloys.
The CRC/TRR 247 „Heterogeneous Oxidation Catalysis in the Liquid Phase – Mechanisms and Materials in Thermal, Electro-, and Photocatalysis” aims at bringing heterogeneous oxidation catalysis in the liquid phase to a level of fundamental understanding that is comparable to metal catalysis in the gas phase, i.e. to unravel the nature of the catalytically active sites and the reaction mechanisms.
In these kinetic experiments, conversion and the selectivities to the various products comprising ketones, acids, peroxides, or epoxides are determined as a function of the process conditions, allowing us to derive rate laws.
In project A2 of the CRC/TR 247 anodic alcohol oxidation and the oxygen evolution reaction (OER) are induced by applying a potential in an electrochemical cell comprising three electrodes.
Predicting the effect that chemistry and processing have on the microstructure of any material is a highly valuable proficiency. The morphological and micromechanical properties of individual phases and features, together with the nature of their interactions, are ultimately responsible for the emerging mechanical properties. Deep knowledge of this cause-effect chain is critical to enabling the tailored materials design, the core topical subject of the ever-digitizing fields of Materials Science and Technology.
The Collaborative Research Centre/Transregio 287 BULK-REACTION explores the interaction of physical and chemical processes in reacting and moving dense particle systems passed by a gaseous fluid. BULK-REACTION combines the methods and expertise from reactive fluid mechanics with particle technology in a new multi-scale approach, ranging from microscopic pores inside particles, to the void spaces between particles, up to complete systems of industrial scale. Reacting dense particle systems form the basis of a multitude of processes and are present in a wide variety of industrial sectors (e.g. for energy storage solutions
Since 2000, International Max Planck Research Schools (IMPRS) have been established by the Max Planck Society (MPG) to promote young materials researchers. Talented junior scientists can earn a doctorate degree in excellent research environments. Looking back at the beginning and development of IMPRS SurMat which ends now.
The goal of the IMPRS RECHARGE is to decouple the primary photochemical processes that lead to capturing of solar energy from its later uses in technology or mobility. Since January 2022, research in the IMPRS SusMet focuses on the exploration of carbon-free sustainable metallurgy, employing hydrogen as reducing agent, direct electroreduction (electrolysis) and plasma synthesis.
