Results 221 to 230 of about 1,271,662 (305)

Low‐Angle Grain Boundaries and Re‐Segregation in Single‐Crystalline Ni‐Base Superalloys

Advanced Engineering Materials, EarlyView.
This work demonstrates that Re‐segregation at low‐angle grain boundaries (LAGBs) in Ni‐base superalloys is influenced by misorientation angle. Advanced microscopy and atom probe tomography reveal that higher misorientation angles increases Re‐segregation.
Alireza B. Parsa, Aparna Saksena, Alesander Kostka, Pascal Thome, Felicitas Scholz, Alexandre Mussi, Christoph Somsen, Baptiste Gault, Jan Frenzel, Gunther Eggeler   +9 more
wiley   +1 more source

First-Principles Thermodynamics of Hydrogen Absorption in Binary C15 Laves Phases. [PDF]

Chem Mater
Paetsch CA, Natarajan AR.
europepmc   +1 more source

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

Molecular Catalysts for the Hydrogen Evolution Reaction: A First-Principles Study. [PDF]

ACS Omega
Lemay S, Paradis F, Cibian M, Antonius G.   +3 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

Unlocking Fast Na⁺ Migration in F-Doped O3-Type Cathodes via First-Principles Calculations. [PDF]

Nanomaterials (Basel)
Wu H, Guo Y, Zu G, Li Y.
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

Benchmarking of Ultrascaled Monolayer Halogenated Borophene Transistors: A Comprehensive First-Principles Quantum Transport Study. [PDF]

ACS Omega
Zhang S, Guo Z, Shen Q, Du S, Xie H, Yin WY.   +5 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

First-principles investigation of aspirin, paracetamol, and ibuprofen adsorption on triquinoxalinylene and benzoquinone-based covalent organic framework. [PDF]

Sci Rep
Bawazeer S.
europepmc   +1 more source