Integrated Computational Materials, Process and Product Engineering – IC-MPPE 2022

To cope with the ever-growing needs for high-performance materials, a strong ongoing trend exists worldwide towards installation of material development and processing platforms termed materials acceleration platforms (MAPs). A common element of these initiatives is the transition from stand-alone simulation and characterization tools towards integrated environments combining databases, physical modeling, inverse design, machine learning and experimental testing in a common framework accessible to all contributors and stakeholders. Such platforms are expected to meet the future challenges related to materials design and to significantly accelerate development processes.
In this talk, we present the MAP “MCacceL” that is currently being implemented at Materials Center Leoben, where we showcase two use cases, i.e. the development of bainitic steels with improved strength and ductility and perovskites with increased energy storage capability. The graphical user interface of the platform will offer tools for automated and manual recording and structuring of experimental measurements, simulations, and literature data according to FAIR data principles. On this data basis, workflows for targeted materials optimization are developed using physics-based material models and machine learning approaches that can provide process-structure-property relationships. With interactive analysis and data exploration tools, the discovery and optimization of high-performance materials will be significantly shortened.