The European Materials Modelling Council invites you to the new OM Webinar series of our EMMC Organisational Members, starting on July 7, 2022 / 10:00 CEST online.
This time our EMMC Organisational Member Materials Center Leoben will present its organisation and current activities within the OM-Webinar:
Simulation, digital materials and software development at the Materials Center Leoben
by Jürgen Spitaler, Daniel Scheiber
July 7, 2022 / 10:00 CEST online
The Materials Center Leoben Forschung GmbH was founded in 1999 to bridge the gap between fundamental research and industry in the area of materials science, process and product engineering.
The 170 employees are active in areas ranging from nanomaterials for microelectronics to steels for automotive industry and rails, applying methods from mechanical testing to electron microscopy, and performing simulations from ab-initio electronic structure to FEM modeling of large components. A major focus of MCL is in simulation, which has been continuously extended towards data driven modeling over the last years. In this context, MCL is currently developing the Materials Accelerator Platform MCacceL, which includes infrastructure and methods to curate data and apply machine learning approaches to enable accelerated design of materials.
In the first part of this presentation, we will give an overview of the activities at MCL in the area of simulation, presenting our activities on all scales from the electronic structure level to finite-element based approaches and computational fluid dynamics. These simulations are applied to understand and predict structural properties of steels and alloys, functional properties of oxides and nitrides for application in microelectronics, as well as process and product relationships.
In the second part of our talk, we will address our activities in the area of digital data. We will present our projects dealing with digitalization of material data and accelerated design of novel materials, with a focus on high-strength bainitic steels and anti-ferroelectric perovskites for high-energy density capacitors. Finally, we will give an overview of MCL’s activities in the area of software development, including GreenALM, a Green’s function based DFT code for alloy modeling, SEGROcalc, a tool which enables the calculation of segregation at grain boundaries in metals, and SpheRaE, a software for predicting Raman spectra of ceramics based on DFT calculations.
If you have any questions, please contact us!