Results 141 to 150 of about 178,100 (218)

Revisiting Stability Criteria in Ball‐Milled High‐Entropy Alloys: Do Hume–Rothery and Thermodynamic Rules Equally Apply?

Advanced Engineering Materials, Volume 27, Issue 6, March 2025.
The stability criteria affecting the formation of high‐entropy alloys, particularly focusing in supersaturated solid solutions produced by mechanical alloying, are analyzed. Criteria based on Hume–Rothery rules are distinguished from those derived from thermodynamic relations. The formers are generally applicable to mechanically alloyed samples.
Javier S. Blázquez, Alejandro F. Manchón‐Gordón, Antonio Vidal‐Crespo, Rafael Caballero‐Flores, Jhon J. Ipus, Clara F. Conde   +5 more
wiley   +1 more source

Alloying Driven Antiferromagnetic Skyrmions on NiPS₃ Monolayer: A First-Principles Calculation. [PDF]

Adv Sci (Weinh)
Wang Y, Xing J, Zhao Y, Wang Y, Zhao J, Jiang X.   +5 more
europepmc   +1 more source

Characterization of Defect Distribution in an Additively Manufactured AlSi10Mg as a Function of Processing Parameters and Correlations with Extreme Value Statistics

Advanced Engineering Materials, EarlyView.
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, Varma Kvvssn, Hossein Laieghi, Zia Uddin, Peyman Ansari, E. Kıvanç Sadak, Can Barış Toprak, Hüseyin Kızıl, Enrico Salvati   +8 more
wiley   +1 more source

Tuning the Electronic Bandgap of Penta-Graphene from Insulator to Metal Through Functionalization: A First-Principles Calculation. [PDF]

Nanomaterials (Basel)
Morales-Ferreiro JO, Silva-Oelker G, Kumar C, Zambra C, Liu Z, Diaz-Droguett DE, Celentano D.   +6 more
europepmc   +1 more source

Formaldehyde Molecules Adsorption on Zn Doped Monolayer MoS₂: A First-Principles Calculation. [PDF]

Front Chem, 2020
Li H, Fu L, He C, Huo J, Yang H, Xie T, Zhao G, Dong G.   +7 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

First Principles Calculation of the Effect of Cu Doping on the Mechanical and Thermodynamic Properties of Au-2.0Ni Solder. [PDF]

Molecules
Wei Y, Dai H, Chen L, Wang X, Cai H, Zhang J, Xu Y, Wang X, Guo J, Yuan Z, Wang X.   +10 more
europepmc   +1 more source

First Principles Calculation for Photocatalytic Activity of GaAs Monolayer. [PDF]

Sci Rep, 2020
Rouzhahong Y, Wushuer M, Mamat M, Wang Q, Wang Q.   +4 more
europepmc   +1 more source

Semiconducting Chalcogenide Alloys Based on the (Ge, Sn, Pb) (S, Se, Te) Formula with Outstanding Properties: A First-Principles Calculation Study. [PDF]

ACS Omega, 2021
Bafekry A, Shahrokhi M, Shafique A, Jappor HR, Fadlallah MM, Stampfl C, Ghergherehchi M, Mushtaq M, Feghhi SAH, Gogova D.   +9 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