Results 191 to 200 of about 7,421,696 (299)

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 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

KAN-GIN: Adaptive Nonlinear Molecular Representation Learning for Drug-Target Affinity Prediction. [PDF]

Pharmaceuticals (Basel)
Bedoui A, Duraisamy N, Cherkaoui M.
europepmc   +1 more source

Flexural Behavior of 3D‐Printed Porous Bouligand‐Structured Polymers: Influence of Pitch Angle and Porosity

Advanced Engineering Materials, EarlyView.
This study examines how helicoidal architectures with different porosities respond to bending. Adjusting layer angle and spacing in 3D‐printed polymers reveals clear tradeoffs between stiffness, strength, and energy absorption. Experiments and simulations highlight designs that distribute stress effectively, offering pathways for optimizing lightweight
Praveenkumar Subhash Patil, Edward D. McCarthy, Parvez Alam   +2 more
wiley   +1 more source

Time-Temperature-Transformation Diagrams to Navigate the Nucleation and Quenchability of Metastable α-Li₃PS₄. [PDF]

Nat Commun
Miura A, Baek W, Fujii Y, Tadanaga K, Hossain R, Yamashita A, Mizuguchi Y, Moriyoshi C, Kobayashi S, Kawaguchi S, Jiong D, Mori S, Sakuda A, Hayashi A, Sun W.   +14 more
europepmc   +1 more source

Affecting the Properties of Copper–Graphene Electroconductive Composite by Severe Plastic Deformation

Advanced Engineering Materials, EarlyView.
Copper‐based composites enhanced with carbon feature convenient mechanical properties and favorable electric conductivity. Processing via deformation and thermomechanical treatments can introduce advantageous microstructures further enhancing their performance. Herein, copper–graphene powder‐based composites are directly consolidated via rotary swaging
Radim Kocich, Lenka Kunčická, Pavel Czernek, Zifan Wang   +3 more
wiley   +1 more source

Strain Tuning the Kinetics of Topotactic Phase Transitions in Epitaxial Oxide Films. [PDF]

Small Sci
Reta TB, Li Y, Zhang Q, Jeen H, Almazan IC, Wan G, Dong Y, Liu H, Gruber S, Hu G, Dufresne EM, Sandy AR, Guha S, Zhou H, Lee HN, Starchenko V, Ganesh P, Fong DD.   +17 more
europepmc   +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

Quantum Chemical Insights Into Glycine-Mediated Stepwise Transformation of Halobenzoquinones. [PDF]

Chemphyschem
Li P, Yang Y, Wang Y, Feng W, Jia C, Wang W.   +5 more
europepmc   +1 more source

Symbolic Regression and Multi‐Objective Optimization of the Flory–Huggins Interaction Parameter for Hydrogels

Advanced Engineering Materials, EarlyView.
We develop a data‐driven method to derive the mathematical expressions of the Flory–Huggins interaction parameter χ for the swelling behavior of temperature–responsive hydrogels. Starting from initial assumptions of χ, our workflow combines Bayesian optimization, Flory–Rehner theory, and symbolic regression to generate candidate χ expressions.
Yawen Wang, Adrian Ehrenhofer, Thomas Wallmersperger   +2 more
wiley   +1 more source