Results 281 to 290 of about 921,873 (354)

First‐Principles Modeling of Solid Solution Softening and Hardening Effects in Al–Mg–Zr–Si Aluminum Alloys

Advanced Engineering Materials, EarlyView.
The role of various alloying elements in face‐centered cubic aluminum on the barrier of a Shockley partial dislocation during its motion is presented. The study aims to understand how alloying atoms such as Mg, Si, and Zr affect the energy landscape for dislocation motion, thus influencing the solid solution hardening and softening in aluminum, which ...
Inna Plyushchay, Zhengqing Wei, Nebahat Bulut, Sibylle Gemming   +3 more
wiley   +1 more source

Quantum physical analysis of caffeine and nicotine in CCL4 and DMSO solvent using density functional theory. [PDF]

Sci Rep
Sah M, Chaudhary R, Sahani SK, Sahani K, Pandey BK, Pandey D, Lelisho ME.   +6 more
europepmc   +1 more source

Wafer Bonding Technologies for Microelectromechanical Systems and 3D ICs: Advances, Challenges, and Trends

Advanced Engineering Materials, EarlyView.
This review explores wafer bonding technologies, covering wafer preparation, activation methods, and bonding mechanisms. It compares direct and indirect bonding, highlights recent advancements and future trends, and examines applications in 3D integration and packaging.
Abdul Ahad Khan, Tuan‐Khoa Nguyen, Quang Thang Trinh, Nam‐Trung Nguyen, Dzung Viet Dao, Yong Zhu   +5 more
wiley   +1 more source

Unraveling the influence of defects on Sulfonamide adsorption onto Blue-phosphorene nanotube using density functional theory. [PDF]

PLoS One
Vergara JM, Correa JD, Mora-Ramos ME, Flórez E.   +3 more
europepmc   +1 more source

CALPHAD‐Guided Prediction and Interpretation of Phase Formation in Ta–Mo–Cr–Ti–Al Refractory High‐Entropy Alloys

Advanced Engineering Materials, EarlyView.
This study designs Ta–Mo–Cr–Ti–Al refractory high‐entropy alloys with a disordered body‐centered‐cubic A2 crystal structure aiming for improved ductility, lower density, and oxidation resistance. Four alloy compositions are identified by thermodynamic calculations.
Kateryna Khanchych, Chongchong Tang, Carsten Schroer, Björn Schäfer, Judith Jung, Michael Dürrschnabel, Ute Jäntsch, Bronislava Gorr   +7 more
wiley   +1 more source

Mechanistic Study of L-Rhamnose Monohydrate Dehydration Using Terahertz Spectroscopy and Density Functional Theory. [PDF]

Molecules
Yan B, Hou Z, Zhao Y, Su B, Zhang C, Li K.   +5 more
europepmc   +1 more source

CeO2 Nanostructures Prepared by Selective Water‐Soluble Sr3Al2O6(SAO)‐CeO2 Vertically Aligned Nanocomposite

Advanced Engineering Materials, EarlyView.
Highly textured CeO2 nanowires and nanoporous thin films are successfully synthesized by water dissolution of Sr3Al2O6 (SAO) from the SAO:CeO2 vertically aligned nanocomposites (VANs). The morphology of CeO2 can be varied by VAN composition. It demonstrates a new method for synthesizing nanostructured CeO2 without chemical etching or complex micro ...
Benson Kunhung Tsai, Jialong Huang, Jianan Shen, Yizhi Zhang, James P. Barnard, Claire A. Mihalko, Abhijeet Choudhury, Shiyu Zhou, Haiyan Wang   +8 more
wiley   +1 more source

Nonlinear Elasticity of Amorphous Silicon and Silica from Density Functional Theory. [PDF]

J Phys Chem C Nanomater Interfaces
Roy UC, Bongiorno A.
europepmc   +1 more source

Multimodal Characterization Method for Metamaterials with Tunable Mechanical Stiffness and Electrical Resistivity

Advanced Engineering Materials, EarlyView.
This study presents a multimodal characterization method for a prototype metamaterial model structure that features four distinct states of mechanical stiffness and electrical resistivity. Through simulations and experiments, it uncovers insights into the structural behavior, the correlation between changes in electrical resistivity and mechanical ...
Rebecca Kose, Michael Mathias Becker, Martin Schuppmann, Sarah Christine Lidwina Fischer   +3 more
wiley   +1 more source

Exploration of Oxygen Reduction Reaction Catalyzed by FePPc and Pz-FeTPr Conjugated Organic Polymer: Insights From Grand-Canonical Density Functional Theory. [PDF]

Adv Sci (Weinh)
Yuan P, Li C, Zhang J, Wang F, Zhao Y, Chen X.   +5 more
europepmc   +1 more source