Data Technology in Materials Modelling

Materials Informatics for Mechanical Deformation: A Review of Applications and Challenges

“…Even though all the FAIR principles are fundamental, 640 mutually dependent, and can not be separated, in some cases (like complex data-driven 641 workflows), it is the interoperability that becomes the most relevant [230]. Therefore and multiple branches of science [221].…”

“…While the technical and descriptive metadata keys are rather generic and relevant for 690 various branches of science, the categories of process metadata and domain-specific The likelihood that suitable standards exist for a given category is smaller for 694 its larger specificity [221] (see figure 11). While multiple standards are existing for 695 technical and descriptive metadata, this does not hold for the process and domain-696 specific metadata, where a significant development effort is often required.…”

“…On the other hand, the 707 descriptive information is hardly extractable, since it provides a higher-level description 708 of the research. Therefore, human interpretation is often crucial [221].…”

“…Materials deformation informatics: Challenges, prospects and ontology 602As of today, digitalization is one of the main driving forces of technological and 603 scientific progress. Jointly with a variety of quantitative modeling and simulation 604 techniques, digitalization is a passage towards the so-called Industry 4.0[221], and in 605 particular, it can accelerate the discovery and design of new materials. To predict various physical properties of materials, many data-based models are incorporated, which is 607 supported by increasingly complex simulations run on increasingly performant infras-608 tructure[222,223].…”

“…Figure 11.Metadata categories with specificity level. With an increasing level of specificity, the probability of existing metadata standard is decreasing (based on[221]). …”