Results 201 to 210 of about 1,271,662 (305)

First-Principles Study of Interfacial Properties and Fracture Behavior of (3C and 4H) SiC/Al Interfaces. [PDF]

Materials (Basel)
Zhang R, Zhong Y, Zhao K, Wang J, Si J, Wu Y, Zou C, Wang H, Wei Z.   +8 more
europepmc   +1 more source

Carboxylic‐Acid Functionalized Multiwalled Carbon Nanotube‐Alkane‐Based Resistive Temperature Sensor for Cold Chain Applications

Advanced Engineering Materials, EarlyView.
This study presents a reversible temperature sensor with high switching ratio, ∼103. The device is fabricated using PET‐ITO and carbon nanotube dispersions in alkane. Considering its application in cold chain logistics, a proof‐of‐concept with LED is showcased. Thus, a temperature drop below the threshold temperature (crystallization temperature of the
Sunil Kumar Behera, Philippe Marrec, A. Jorge Parola, Madalena Dionísio, Hugo Águas, Andreia F. M. Santos, Hamed Pourkheirollah, Donald Lupo, César A. T. Laia   +8 more
wiley   +1 more source

First-principles screening of dopants for high-conductivity graphene/copper interfaces. [PDF]

RSC Adv
Zhao X, Zhong B, Bian B, Ni J, Gong M, Liu Y, Fan T.   +6 more
europepmc   +1 more source

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

Novel fast Li-ion conductors for solid-state electrolytes from first-principles.

Energy Environ Sci
Thakur TS, Ercole L, Marzari N.
europepmc   +1 more source

Exciton-Defect Interaction and Optical Properties from a First-Principles T-Matrix Approach. [PDF]

Nano Lett
Chan YH, Haber JB, Naik MH, Qiu DY, da Jornada FH.   +4 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 simulation of spin diffusion in static solids using dynamic mean-field theory. [PDF]

Sci Adv
Gräßer T, Uhrig GS, Ernst M.
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

Coexistence of ferroelectricity and altermagnetism in wurtzite vanadium oxide: a first-principles study. [PDF]

RSC Adv
Zaman A, Alrefaee SH, Shahid H, Orlova T, Alrubayyi A, Alreshidi R, Tirth V, Algahtani A.   +7 more
europepmc   +1 more source