Quantum-chemical database of Metal-Organic Frameworks (QMOFs) containing structural geometries and electronic properties computed using DFT. Focuses on porous framework configurations.
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Quantum-chemical database of Metal-Organic Frameworks (QMOFs) containing structural geometries and electronic properties computed using DFT. Focuses on porous framework configurations.
pmd3.x Version der 42CrMoS4 Zugversuchsdaten (https://github.com/materialdigital/demodata_tensiletest_42CrMoS4/) Demonstration of modelling of material charaterization experiments with PMDco. Results of tensile tests on round bar specimens are reported. The material tested is the quenched and tempered steel 42CrMoS4. The aim of the test series is to determine the influence of different heat treatments on the tensile strength and behavior under tensile loading. Exemplary micrographs and microstructure information are provided. The compilation of all related information is still ongoing. The processes of specimen machining, heat treatment, tensile testing, and microstructure analysis have initially been described in PMDCO-2.07 based on the PMD Tensile Test Ontology (TTO). Within this dataset, a mapping in PMDCO-3.x is executed. However, the results are not officially approved. Examples of SPARQL queries are provided.
A set of stress–strain curves obtained from simulated tensile tests of hybrid material specimens. Two joining mechanisms are evaluated: an adhesive joint and a bolted joint. Each result consists of (1) a JSON file describing the simulated specimen (geometry and materials) and (2) a linked CSV file containing the corresponding simulated stress–strain curve.