Results 191 to 200 of about 121,447 (265)

Field Report from Collaborative Research Center 1625: Heterogeneous Research Data Management Using Ontology Representations

Advanced Engineering Materials, EarlyView.
A unified research data management framework for heterogeneous materials data is presented. The system integrates multimodal datasets using ontologies and knowledge graphs, enabling interoperability and FAIR (findable, accessible, interoperable, reusable) data principles. By linking data across scales and workflows, it supports reproducible, Artifitial
Doaa Mohamed, Samuel García Vázquez, Behnam Mardani, Victor Dudarev, Alfred Ludwig, Maribel Acosta, Markus Stricker   +6 more
wiley   +1 more source

The Influence of Mg Doping in α-Al₂O₃ Crystals Investigated with First-Principles Calculations and Experiment. [PDF]

Materials (Basel)
Zeng Y, Fan H, Guo H, Tang K, Wang Z, Zhang S, Zhou M, Fu L, Feng H.   +8 more
europepmc   +1 more source

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

First-principles calculations to investigate structural, electronic, optical, elastic, mechanical and phonon properties of novel Q₃GaBr₆ (Q = Na and K) for next-generation lead-free solar cells. [PDF]

RSC Adv
Rafiu R, Hasan MS, Rahman MA, Apon IA, Kriaa K, Benghanem M, AlFaify S, Elboughdiri N.   +7 more
europepmc   +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

Elastic Constants of Few-Layer α‑Sb₂O₃ from First-Principles Calculations: Insights into Mechanical Properties. [PDF]

ACS Omega
Kang YL, Li ZY, Wang SH, Yang YH, Hou KX, Jin CD, Wang RN, Shi XQ, Wang JL, Gong PL.   +9 more
europepmc   +1 more source

A Simplified Laminar Flow Model for the Pultrusion of Glass Fiber/Polyethylene Terephthalate Commingled Yarns

Advanced Engineering Materials, EarlyView.
A simplified thermoplastic pultrusion model is developed to predict thermal fields in glass fiber/polyethylene terephthalate (GF/PET) composites with reduced computational cost. By combining effective material homogenization, validation against literature data, and Gaussian‐process‐based optimization, the study reveals how heating limits, pulling speed,
Elder Soares, Nadège Bouchonneau, Christian Jochum, Donald Radford   +3 more
wiley   +1 more source

The quantum anomalous Hall effect in two-dimensional hexagonal monolayers studied by first-principles calculations. [PDF]

iScience
Zhang L, Chen H, Ren J, Yuan X.
europepmc   +1 more source

Phase Field Failure Modeling: Brittle‐Ductile Dual‐Phase Microstructures under Compressive Loading

Advanced Engineering Materials, EarlyView.
The approach by Amor and the approach by Miehe and Zhang for asymmetric damage behavior in the phase field method for fracture are compared regarding their fitness for microcrack‐based failure modeling. The comparison is performed for the case of a dual‐phase microstructure with a brittle and a ductile constituent.
Jakob Huber, Jan Torgersen, Ewald Werner
wiley   +1 more source

Feature-rich fundamental properties of hydrogen-adsorbed armchair graphene nanoribbons: insights from first-principles calculations. [PDF]

RSC Adv
Hoat DM, Vo KD, Tran NTT, Ho QD, Dang MT, Huy HA, Nhan DT, Nguyen DK.   +7 more
europepmc   +1 more source