Results 241 to 250 of about 17,749,413 (318)

Towards Defect Phase Diagrams: From Research Data Management to Automated Workflows

Advanced Engineering Materials, EarlyView.
A research data management infrastructure is presented for the systematic integration of heterogeneous experimental and simulation data required for defect phase diagrams. The approach combines openBIS with a companion application for large‐object storage, automated metadata extraction, provenance tracking and federated data access, thereby supporting ...
Khalil Rejiba, Sang‐Hyeok Lee, Christina Gasper, Martina Freund, Sandra Korte‐Kerzel, Ulrich Kerzel   +5 more
wiley   +1 more source

A Knowledge‐Based Approach for Understanding and Managing Additive Manufacturing Data

Advanced Engineering Materials, EarlyView.
Additive manufacturing processes generate a large amount of data. Effectively managing, understanding, and retrieving information from this data remains a major challenge. Therefore, we propose an ontology‐based approach to integrate heterogeneous data, enable semantic queries, and support decision‐making.
Mina Abd Nikooie Pour, Prithwish Tarafder, Anton Wiberg, Huanyu Li, Johan Moverare, Patrick Lambrix   +5 more
wiley   +1 more source

Electronic and Optical Properties of Transition-Metal-Modified BiFeO₃: A First Principles Study. [PDF]

Materials (Basel)
Aslla Quispe AP, Huamani Aslla LC, Barzola Moscoso B, Clemente Arenas MD, Rivera PH, Guerra JDS.   +5 more
europepmc   +1 more source

First-Principles Modeling of Nitazoxanide Analogues as Prospective PFOR-Targeted Antibacterials. [PDF]

Int J Mol Sci
Alqahtani H, Gomaa I, Refaat A, Mansour MSA, Alsaiari RA, Rizk MA.   +5 more
europepmc   +1 more source

Bi³⁺-Related Multimode Emission in Garnet: A First-Principles Study. [PDF]

Materials (Basel)
Jiang B, Liu Q, Chi F, Lou B.
europepmc   +1 more source

Enhancing Solid Solution Strengthening of TiZrNb Alloys via W and Cr Alloying: First-Principles Insights into Mechanical Properties. [PDF]

Materials (Basel)
Sun Z, Ma G, Guo Q, Ou R, Guo L, Ji C, Zhang Z, Li L, Wang C, He Y.   +9 more
europepmc   +1 more source

Magnetism Induced by Azanide and Ammonia Adsorption in Defective Molybdenum Disulfide and Diselenide: A First-Principles Study. [PDF]

ACS Omega
Fabris GSL, Ipaves B, Oliveira RB, Gutierrez HR, Pereira Junior ML, Galvão DS.   +5 more
europepmc   +1 more source

Halogen-Driven Tunability in Cubic KZnX₃ (X = F-I) Halide Perovskites: A First-Principles Study. [PDF]

Int J Mol Sci
Szeleszczuk Ł.
europepmc   +1 more source