Results 171 to 180 of about 120,383 (265)

What Do Large Language Models Know About Materials?

Advanced Engineering Materials, EarlyView.
If large language models (LLMs) are to be used inside the material discovery and engineering process, they must be benchmarked for the accurateness of intrinsic material knowledge. The current work introduces 1) a reasoning process through the processing–structure–property–performance chain and 2) a tool for benchmarking knowledge of LLMs concerning ...
Adrian Ehrenhofer, Thomas Wallmersperger, Gianaurelio Cuniberti   +2 more
wiley   +1 more source

Photoreactivity of Norrish Type Photoinitiators for 3D Laser Printing via First Principles Calculations. [PDF]

Macromol Rapid Commun
Mauri A, Kiefer P, Wenzel W, Kozlowska M.   +3 more
europepmc   +1 more source

A Workflow to Accelerate Microstructure‐Sensitive Fatigue Life Predictions

Advanced Engineering Materials, EarlyView.
This study introduces a workflow to accelerate predictions of microstructure‐sensitive fatigue life. Results from frameworks with varying levels of simplification are benchmarked against published reference results. The analysis reveals a trade‐off between accuracy and model complexity, offering researchers a practical guide for selecting the optimal ...
Luca Loiodice, Krzysztof S. Stopka, Michael D. Sangid   +2 more
wiley   +1 more source

First-Principles Calculations of Plasmon-Induced Hot Carrier Properties of μ-Ag₃Al. [PDF]

Nanomaterials (Basel)
Zhao Z, Ren H, Wang Y, Ma X, Jiang J, Wei L, Liu D.   +6 more
europepmc   +1 more source

NFDI MatWerk Ontology (MWO): A BFO‐Compliant Ontology for Research Data Management in Materials Science and Engineering

Advanced Engineering Materials, EarlyView.
This article presents the NFDI‐MatWerk Ontology (MWO), a Basic Formal Ontology‐based framework for interoperable research data management in materials science and engineering (MSE). Covering consortium structures, research data management resources, services, and instruments, MWO enables semantic integration, Findable, Accessible, Interoperable, and ...
Hossein Beygi Nasrabadi, Ebrahim Norouzi, Kostiantyn Hubaiev, Jörg Waitelonis, Harald Sack   +4 more
wiley   +1 more source

High-Pressure Stability and Electronic Properties of Sodium-Rich Nitrides: Insights from First-Principles Calculations. [PDF]

Chemphyschem
Li Q, Yang Q, Han S, Li F, Yao Y, Yang G.   +5 more
europepmc   +1 more source

Variable Stiffness Flexure Structures Enabled by Phase‐Change Gallium and Adhesive Interfacial Locking for Soft Robotic Applications

Advanced Engineering Materials, EarlyView.
A flexure‐based variable stiffness structure is developed by integrating phase‐change modulation and adhesive interfacial locking of gallium. The design enables a wide stiffness variability, transitioning from soft, flexible behavior to rigid, load‐supporting performance.
Sungjin Kim, Sohee John Yoon, Yong‐Lae Park   +2 more
wiley   +1 more source

First-Principles Calculations for Glycine Adsorption Dynamics and Surface-Enhanced Raman Spectroscopy on Diamond Surfaces. [PDF]

Nanomaterials (Basel)
Sun S, Zhang C, An P, Xu P, Zhang W, Ren Y, Tan X, Yu J.   +7 more
europepmc   +1 more source

Air‐Pressure–Actuated Vibroacoustic Metamaterial With Tunable Bandgap: Design, Modeling, and Characterization

Advanced Engineering Materials, EarlyView.
This article presents the design, modeling, and characterization of air‐pressure–actuated programmable vibroacoustic metamaterials (PVAMM). The study focuses on leveraging air pressure to dynamically tune resonance frequencies for effective noise attenuation.
William Kaal, Michael M. Becker, Sarah C. L. Fischer   +2 more
wiley   +1 more source

Bridging first-principles calculations and device simulations of A₃GaI₆ (A = K, Rb, Cs) double perovskites for next-generation solar cells: DFT, AIMD, and SCAPS-1D. [PDF]

RSC Adv
Jehangir MA, Rabhi S, Makhloufi R, Shimul AI, Khan AN, Bouderbala YI, Alsalmi OH, Sadaf S, Alam MW.   +8 more
europepmc   +1 more source