Results 41 to 50 of about 180 (179)

Ontology‐Aligned Structuring and Reuse of Multimodal Materials Data and Workflows Toward Automatic Reproduction

Advanced Engineering Materials, EarlyView.
Reproduction of stacking fault energy calculations from literature with a semi‐automated large language model‐assisted extraction procedure: extraction of simulation protocol, atomistic structures, computational parameters, and reported results, ontology alignment, knowledge graph construction and, finally, recomputation forvalidation.
Sepideh Baghaee Ravari, Abril Azocar Guzman, Sarath Menon, Stefan Sandfeld, Tilmann Hickel, Markus Stricker   +5 more
wiley   +1 more source

Molecular Dynamics Studies of Shape Memory Polymers: From Bead–Spring Models to Atomistic Simulations

Advanced Engineering Materials, EarlyView.
Coarse‐grained (left) and atomistic (right) models of the shape memory polymer ESTANE ETE 75DT3 are shown schematically. The two representations bridge molecular detail and mesoscopic description. Both models capture shape memory behavior, linking segmental mobility and conformational relaxation of anisotropic chains to macroscopic recovery, and ...
Fathollah Varnik
wiley   +1 more source

Continuous Stiffness Graded Metal–Ceramic Femoral Stems: UMAT‐Based Design and Finite Element Assessment

Advanced Engineering Materials, EarlyView.
Functionally graded metal–ceramic femoral stems are engineered through continuous UMAT‐based stiffness tailoring, eliminating discrete material interfaces while enhancing biomechanical compatibility. Low‐index power‐law gradation optimizes load transfer, reduces stress shielding, and controls implant–bone micromotion, highlighting a materials‐design ...
Rihem Nouira, Sameh Elleuch, Hanen Jrad
wiley   +1 more source

New AI‐Assisted Approach for Expanding the Solution Space: Application to Lattice Structure Design

Advanced Engineering Materials, EarlyView.
This work introduces an innovative framework for designing structured materials by ex panding the design space through reparameterization of qualitative variables into continuous structural descriptors. Combined with machine‐learning‐based prediction and multi‐objective optimization, the approach enables the discovery of novel lattice architectures ...
G. H. Gahimbare, Y. Beideler, D. Chune, R. De Guio, T. Roland, H. Chibane   +5 more
wiley   +1 more source

DigiChrom: A Domain Ontology for Semantic Representation of Trivalent Chromium Platings and Its Large Language Model‐Based Alignment With Multiple Mid‐Level Ontologies

Advanced Engineering Materials, EarlyView.
Digitalizing electroplating requires both domain knowledge and interoperability. This work introduces PlatOn, a domain ontology for trivalent chromium plating and coating characterization, and a hybrid pipeline that aligns it to a mid‐level reference ontology by combining eight similarity metrics with language model reasoning. Expert‐validated mappings
Janik Harter, Elena Garcia Trelles, Christoph Schweizer, Thomas Seifert, Christoph Baumer, Mahmoud Elkady, Katja Feige, Daniel Grimme, Edgar Hoffmann, Andreas Waibel, Anke Walter   +10 more
wiley   +1 more source

Semantic Modeling in Materials Science and Engineering With Platform MaterialDigital Core Ontology 3.0

Advanced Engineering Materials, EarlyView.
The community‐driven Platform MaterialDigital Core Ontology (PMDco) 3.0 is introduced as a Basic Formal Ontology‐aligned semantic backbone for the processing–structure–properties paradigm in Materials Science and Engineering. Modular engineering, automated releases, and validation workflows are highlighted and key semantic patterns for materials ...
Markus Schilling, Philipp von Hartrott, Jörg Waitelonis, Thomas Hanke, Henk Birkholz, Hossein Beygi Nasrabadi, Khashayar Razghandi, Kamilla Zaripova, Felix Thonagel, Fabian Neuhaus, Martin Glauer, Lars Vogt, Harald Sack, Lutz Mädler, Bernd Bayerlein, Chris Eberl   +15 more
wiley   +1 more source

From Geometry to Function: Programmable Mechanical Response in 3D‐Printed Adipose‐Inspired Soft Metamaterials

Advanced Functional Materials, EarlyView.
Geometry‐driven design of soft cellular metamaterials is systematically investigated by combining experiments, finite element modeling, and statistical prediction. The study quantifies how unit cell geometry and material properties govern stiffness, instability, densification, and energy absorption.
Alice Berardo, Gianmarco Dolino, Damiano Coato, Paolo Gargiulo, Emanuele Luigi Carniel   +4 more
wiley   +1 more source

Acid Site Design for Low Hydration Proton Exchange Membranes

Advanced Functional Materials, EarlyView.
α‐CF2 substitution adjacent to sulfonic acid increases acid strength and enables efficient proton transport under low hydration conditions. This molecular design reduces the dependence of hydrocarbon proton exchange membranes on excessive water uptake, addressing a key limitation of conventional hydrocarbon PEMs while maintaining favorable conductivity
Ajay Kumar, Lorena Alzate‐Vargas, Mayra Rodriguez‐Pena, Douglas I. Kushner, Marina Pacheco, Panagiotis Bexis, Ahmet Kusoglu, Siddharth Komini Babu, Edward F. Holby, Jacob S. Spendelow, Eun Joo S. Park   +10 more
wiley   +1 more source

Increasing Inter‐Micellar Connectivity Toughens and Imparts Cooling‐Induced Shape Memory in Micellar Hydrogels

Advanced Functional Materials, EarlyView.
Oligomerizing Pluronic triblock copolymers provides a processing strategy for tuning the mechanical properties and stimuli‐responsive behaviors of micellar hydrogels. Varying oligomer fraction produces hydrogels spanning brittle to highly extensible responses; maintaining micellar architectures enables cooling‐induced reverse thermal shape memory and ...
Gourav Kumbhojkar, Eric Yang, Arman Moussavi, EunBi Oh, Haeji Kim, Wei Chen, Junsoo Kim, Sinan Keten, Ryan L. Truby   +8 more
wiley   +1 more source

Network Topology Governs Photocatalytic Water Splitting in Organic Two‐Dimensional Crystals

Advanced Functional Materials, EarlyView.
Network topology in organic two‐dimensional crystals (O2DCs) dictates the photocatalytic water splitting performance. Kagome‐lattice O2DCs exhibit strong electron‐hole mass asymmetry, spatially separated carriers, and longer recombination lifetimes, exceeding rhombic isomers.
Preeti Bhauriyal, Thomas Heine
wiley   +1 more source