Article describes how the expansive production of data in materials science, their widespread sharing and repurposing requires educated support and stewardship. The authors mainly focus on computational materials-science data and propose a constructive approach for the FAIRification of the (meta)data related to ground-state and excited-states calculations, potential-energy sampling, and generalized workflows.

Article describes how the main functions of thin-walled structures are to reduce the weight of the finished product and to increase the rigidity of the structure. The authors compared the vibration signal for different approaches to machining thin walled-components with vertical walls made of Ti6AI4V titanium alloy and Inconel 625 nickel alloy.

Article describes how the reaction NH3 + NH2 ⇄ N2H3 + H2 (R1) has been identified as a key step to explain experimental results for pyrolysis and oxidation of ammonia. In the present work, the reaction was studied by ab initio theory and by reinterpretation of experimental data.