This article presents the NFDI‐MatWerk Ontology (MWO), a Basic Formal Ontology‐based framework for interoperable research data management in materials science and engineering (MSE). Covering consortium structures, research data management resources, services, and instruments, MWO enables semantic integration, Findable, Accessible, Interoperable, and ...
Hossein Beygi Nasrabadi +4 more
wiley +1 more source
Bridging first-principles calculations and device simulations of A<sub>3</sub>GaI<sub>6</sub> (A = K, Rb, Cs) double perovskites for next-generation solar cells: DFT, AIMD, and SCAPS-1D. [PDF]
Jehangir MA +8 more
europepmc +1 more source
High‐temperature interactions between low‐sulfur Al‐killed Mn–B steel and MgO–C refractories (0 and 50 wt% recyclates) are studied via finger immersion tests (1600 °C). Surface‐active elements influence infiltration. MgO/CaS layer forms, along with spinel and calcium silicate.
Matheus Roberto Bellé +5 more
wiley +1 more source
High-Pressure Stability and Electronic Properties of Sodium-Rich Nitrides: Insights from First-Principles Calculations. [PDF]
Li Q +5 more
europepmc +1 more source
The thermal diffusivity of MgO‐C refractories is highly sensitive to sample preparation and processing procedures. In this article, the effects of coking sequence, machining conditions, structural inhomogeneity, and graphite coating application on measurements using laser flash apparatus are systematically investigated.
Luyao Pan +4 more
wiley +1 more source
First-Principles Calculations for Glycine Adsorption Dynamics and Surface-Enhanced Raman Spectroscopy on Diamond Surfaces. [PDF]
Sun S +7 more
europepmc +1 more source
It is shown that laser ablation pretreatment under oxygen‐free conditions enables copper–aluminium bonding at significantly lower deformation degrees and improved properties compared to mechanical brushing. Laser ablation further increases interface contact area and induces favourable residual stress states and microstructural compatibility ...
Khemais Barienti +11 more
wiley +1 more source
First-principles calculations of the photocatalytic performance of ZnO-MX<sub>2</sub> (M = Mo, W; X = S, Se) heterojunctions. [PDF]
Dai MY +7 more
europepmc +1 more source
Stabilization of L‐PBF Ni50.7Ti49.3 under low‐cycle loading was investigated. Recoverable strain after cycling was dependent on the amount of applied load. Recovery ratio was 53.4% and 35.1% at intermediate and high load, respectively. The maximum total strain reached 10.3% at a high load of 1200 MPa.
Ondřej Červinek +5 more
wiley +1 more source
First-principles calculations to investigate structural, electronic, optical, elastic, mechanical and phonon properties of novel Q<sub>3</sub>GaBr<sub>6</sub> (Q = Na and K) for next-generation lead-free solar cells. [PDF]
Rafiu R +7 more
europepmc +1 more source

