First-Principles Calculation of a Phase Diagram
openaire +2 more sources
Thermoreflectance Detection of Point Defects Resulting from Focused Ion Beam Milling
Focused ion beam (FIB) milling is a common tool for nanoscale material processing, however irradiation damage, redeposition, and contamination can occur. We use several characterization tools to show FIB‐induced effects beyond 1 mm from the milled area.
Thomas W. Pfeifer +3 more
wiley +1 more source
Understanding the Magnetic Exchange Pathways of Transition-Metal-Doped Monolayer TiS<sub>2</sub> Using First-Principles Calculations. [PDF]
Keeney PJ, Coelho PM, Haraldsen JT.
europepmc +1 more source
Predicting extreme defects in additive manufacturing remains a key challenge limiting its structural reliability. This study proposes a statistical framework that integrates Extreme Value Theory with advanced process indicators to explore defect–process relationships and improve the estimation of critical defect sizes. The approach provides a basis for
Muhammad Muteeb Butt +8 more
wiley +1 more source
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 +8 more
wiley +1 more source
Investigation on the Intrinsic Phonon Properties of CrPS<sub>4</sub>: A Combined Raman Spectroscopy and First-Principles Calculations Study. [PDF]
Li M +5 more
europepmc +1 more source
What Do Large Language Models Know About Materials?
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 +2 more
wiley +1 more source
Photoreactivity of Norrish Type Photoinitiators for 3D Laser Printing via First Principles Calculations. [PDF]
Mauri A +3 more
europepmc +1 more source
A Workflow to Accelerate Microstructure‐Sensitive Fatigue Life Predictions
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 +2 more
wiley +1 more source
First-Principles Calculations of Plasmon-Induced Hot Carrier Properties of μ-Ag<sub>3</sub>Al. [PDF]
Zhao Z +6 more
europepmc +1 more source

