Material behavior is dominated by mechanisms occurring over many length and time scales. Interatomic bonds are formed by electrons and described by quantum mechanical methods, molecular dynamics methods track the motion of atoms on length and time scales of nanometers and nanoseconds, respectively. Connecting these fundamental tools with simulation methods on the microstructural level that describe the evolution of dislocation structures, grain and phase boundaries on length and time scales of micrometers and microseconds to hours, is pivotal in obtaining atomistic control over processing-microstructure-property chains. At ICAMS / Ruhr -Universität Bochum and the Max-Planck-Institut für nachhaltige Materialien GmbH novel data-oriented approaches for materials modeling across all relevant length and time scales are advanced and contributed to NFDI-MatWerk. The primary focus is on open-access software tools, like DAMASK, Calphy, OpenPhase, Kanapy, etc. In this way, a community interaction on the requirements for software and data repositories for materials modeling across the scales will be stimulated.
| Acronym: | MatScale |
| Website: | |
| Contact: | Dr.-Ing. Sarath Menon, apl. Prof. Dr. rer. nat. Franz Roters, Max-Planck-Institut für nachhaltige Materialien GmbH |
| DFG Classification: | 4.32-03 - Thermodynamics and Kinetics as well as Properties of Phases and Microstructure of Materials 4.32-04 - Computer-Aided Design of Materials and Simulation of Materials Behaviour from Atomic to Microscopic Scale |
| Material/ Methodology: | Computational materials science, material informatics, data-driven approaches |
| Engagement: | 8 research units and 14 research groups |
NFDI-MatWerk
Funded by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under the National Research Data Infrastructure – NFDI 38/1 – project number 460247524.
NFDI-MatWerk
Funded by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under the National Research Data Infrastructure – NFDI 38/1 – project number 460247524.
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