Results 71 to 80 of about 22,598 (262)

Atomistic Modeling and Simulation

The Electrochemical Society Interface, 2000
Personal computers (PCs) are cheap, and Moore’s law increases are still available in CPU speed (currently 1.3 GHz) and information storage density (about 40 Gb in-2). In short, the combination of price, hardware advance, and user-friendly software has put advanced modeling capabilities firmly in the office and laboratory.
openaire   +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

Solid‐State Diffusion and Intermetallic Phase Formation in Roll‐Bonded Mg–Zn Composites With Kirigami‐Patterned Inlay

Advanced Engineering Materials, EarlyView.
Mg–Zn composites with a thickness of 0.21 mm were fabricated using roll bonding of a kirigami‐patterned Mg alloy inlay within a Zn matrix. Thermal activation following this process led to the formation of tailored intermetallic structures, which provided the composite with enhanced flexural strength.
Yaroslav Frolov, Oleksandr Bobukh, Christian Klose, Florian Nürnberger, Hans Jürgen Maier   +4 more
wiley   +1 more source

Karl Popper and the Mechanisms of Hydrogen Embrittlement

Advanced Engineering Materials, EarlyView.
Representation of the beginning of loss of ductility rather than embrittlement. Small concentrations of hydrogen in a diffusible form within iron are well‐established to harm the mechanical integrity of steels. There are theories that attempt to explain the pernicious role of hydrogen.
H. K. D. H. Bhadeshia
wiley   +1 more source

Fostering Innovation: Streamlining Magnetocaloric Materials Research by Digitalization

Advanced Engineering Materials, EarlyView.
Magnetocaloric cooling (MCE) is an environmentally friendly refrigeration method with great potential. Optimizing MCE materials involves the preparation and screening of large quantities of samples, which in turn generates a large amount of data. A digitalization approach is presented that uses ontologies, knowledge graphs, and digital workflows to ...
Simon Bekemeier, Moritz Blum, Luana Caron, Alisa Chirkova, Philipp Cimiano, Basil Ell, Inga Ennen, Michael Feige, Maik Gaerner, Thomas Hilbig, Andreas Hütten, Günter Reiss, Tapas Samanta, Sonja Schöning, Christian Schröder, Lennart Schwan, Chris Taake, Martin Wortmann   +17 more
wiley   +1 more source

Is an Apple an Orange? A Large Language Model Benchmark for Candidate Term Extraction and Subclass Decisions Against Upper Ontologies in Engineering and Materials Science

Advanced Engineering Materials, EarlyView.
Building machine‐readable vocabularies for materials science is slow, expert‐driven work. This study benchmarks 13 large language models on two of its first steps: finding candidate terms in engineering articles and deciding where they belong in a class hierarchy.
Thomas Bjarsch, Maximilian Holland, Klaus Drechsler, Johannes Schilp   +3 more
wiley   +1 more source

EFECTO COMBINADO DE LA DELOCALIZACIÓN CUÁNTICA Y LA ALTA COVALENCIA COMO ORIGEN DEL EFECTO ISOTÓPICO EN EL FERROELÉCTRICO CON PUENTES DE HIDRÓGENO KDP

Anales (Asociación Física Argentina), 2013
Basándonos en la descripción a través de primeros principios de la energética en el ferroeléctrico con puentes de hidrógeno KH2PO4 (KDP), realizamos un primer estudio de los efectos cuánticos nucleares y los cambios producidos en la deuteración.
S. Koval, J. Kohanoff, R. L. Migoni, E. Tosatti   +3 more
doaj  

Multimodal Data‐Driven Microstructure Characterization

Advanced Engineering Materials, EarlyView.
A self‐consistent autonomous workflow for EBSP‐based microstructure segmentation by integrating PCA, GMM clustering, and cNMF with information‐theoretic parameter selection, requiring no user input. An optimal ROI size related to characteristic grain size is identified.
Qi Zhang, Santiago Benito, Özge Özgün, Sebastian Weber, Markus Stricker   +4 more
wiley   +1 more source

Structural change of aluminum thin film in the temperature range from 300 K to 1000 K

MATEC Web of Conferences, 2018
We study the structural change of Aluminum thin film due to heat treatment. The film is heated up from room temperature of 300 K to 1000 K where it is already above melting temperature of Aluminum. Molecular dynamics simulation is employed to observe the
Fahdiran Riser, Handoko Erfan, Sugihartono Iwan, Susila Anggara Budi, Budi Esmar, Budi Setia   +5 more
doaj   +1 more source

The PRIMA Thesaurus for Materials Science and Engineering

Advanced Engineering Materials, EarlyView.
The PRIMA Thesaurus is a structured vocabulary designed to improve how materials science data is described and shared. Developed with input from multiple experts, it enables clear documentation of research workflows, data exchange, and reuse across platforms.
Rossella Aversa, Alexey Boubnov, Dario De Angelis, Catriona Eschke, Maximilian Kabbe, Felix Kraus, Mirco Panighel, Richard Thelen, Davide Valentinis   +8 more
wiley   +1 more source