Roadmap on data-centric materials science

Science is and always has been based on data, but the terms ‘data-centric’ and the ‘4th paradigm’ of materials research indicate a radical change in how information is retrieved, handled and research is performed. It signifies a transformative shift towards managing vast data collections, digital repositories, and innovative data analytics methods. The integration of artificial intelligence and its subset machine learning, has become pivotal in addressing all these challenges. This Roadmap on Data-Centric Materials Science explores fundamental concepts and methodologies, illustrating diverse applications in electronic-structure theory, soft matter theory, microstructure research, and experimental techniques like photoemission, atom probe tomography, and electron microscopy. While the roadmap delves into specific areas within the broad interdisciplinary field of materials science, the provided examples elucidate key concepts applicable to a wider range of topics. The discussed instances offer insights into addressing the multifaceted challenges encountered in contemporary materials research

Fibrous Morphologies

Living organisms have evolved effective structural solutions in response to the inherent constraints of their respective environments through a process of morphological adaptation. Given the fact that the majority of natural load bearing materials are fibrous composites, the authors suggest the analysis of appropriate biological role models as a promising strategy for informing the application of fibre reinforced polymers (FRP) in architecture. In this paper the authors present a biomimetic design methodology for seamless large-scale FRP structures involving the analysis of the exoskeletons of Arthropoda with regards to structural performance criteria, the development of a custom robotic filament winding process, and the translation of biological and fabricational principles into the architectural domain through physical prototyping and the development of custom digital tools. The resulting performative material system is evaluated in a full-scale research pavilion

Probing Crystallinity and Grain Structure of 2D Materials and 2D Like Van der Waals Heterostructures by Low Voltage Electron Diffraction

4D scanning transmission electron microscopy 4D STEM is a powerful method for characterizing electron transparent samples with down to sub ngstrom spatial resolution. 4D STEM can reveal local crystallinity, orientation, grain size, strain, and many more sample properties by rastering a convergent electron beam over a sample area and acquiring a transmission diffraction pattern DP at each scan position. These patterns are rich in information about the atomic structure of the probed volume, making this technique a potent tool to characterize even inhomogeneous samples. 4D STEM can also be used in scanning electron microscopes SEMs by placing an electron sensitive camera below the sample. 4D STEM in SEMs is ideally suited to characterize 2D materials and 2D like van der Waals heterostructures vdWH due to their inherent thickness of a few nanometers. The lower accelerating voltage of SEMs leads to strong scattering even from monolayers. The large field of view and down to sub nm spatial resolution of SEMs are ideal to map properties of the different constituents of 2D like vdWH by probing their combined sample volume. A unique 4D STEM in SEM system is applied to reveal the single crystallinity of MoS2 exfoliated with gold mediation as well as the crystal orientation and coverage of both components of a C60 MoS2 vdWH are determine

Fibrous Morphologies: Integrative design and fabrication of fibre-reinforced structures in architecture using robotic filament winding

Living organisms have evolved effective structural solutions in response to the inherent constraints of their respective environments through a process of morphological adaptation. Given the fact that the majority of natural load bearing materials are fibrous composites, the authors suggest the analysis of appropriate biological role models as a promising strategy for informing the application of fibre reinforced polymers (FRP) in architecture. In this paper the authors present a biomimetic design methodology for seamless large-scale FRP structures involving the analysis of the exoskeletons of Arthropoda with regards to structural performance criteria, the development of a custom robotic filament winding process, and the translation of biological and fabricational principles into the architectural domain through physical prototyping and the development of custom digital tools. The resulting performative material system is evaluated in a full-scale research pavilion