13–17 Sept 2021 Virtual Conference
Virtual
Europe/Vienna timezone
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A Pragmatic ICME Approach To Microstructure Simulation

16 Sept 2021, 14:40
20m
Room 10

Room 10

Oral Presentation D7. Integrated computational materials engineering - Interoperability, simulation platforms and applications D7_Integrated computational materials engineering - interoperability, simulation platforms and applications

Speaker

Dr Georg J. Schmitz (Access e.V./MICRESS)

Description

A microstructure simulation workflow adaptable to different metallic systems and process conditions is presented. It is implemented as a flow chart which is controlled through a Jupyter notebook invoking software modules of different classes: “Creators” serve to generate an initial virtual material state. “Evolvers” advance this state according to process conditions. “Extractors” calculate properties from a state, while not altering it. “Controllers” steer the overall workflow. The material state itself is stored in a HDF5 file being consecutively updated with new data throughout the workflow process eventually leading to a full description of a microstructure at given conditions. The operator defines the simulation domain and the alloy filling the domain. The system then calculates the phases to be expected and the phase fractions and compositions at given conditions. Eventually a 3D single- or multiphase microstructure is synthesized matching these values.
The presented work has received funding from the European Commission in the frame of the MarketPlace project (grant ID: 760173)

Speaker Country Germany

Author

Mr Lukas Koschmieder (Access e.V. / MICRESS)

Co-author

Dr Georg J. Schmitz (Access e.V./MICRESS)

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