Results 201 to 210 of about 1,622,308 (337)

Consolidate Overview of Ribonucleic Acid Molecular Dynamics: From Molecular Movements to Material Innovations

Advanced Engineering Materials, EarlyView.
Molecular dynamics simulations are advancing the study of ribonucleic acid (RNA) and RNA‐conjugated molecules. These developments include improvements in force fields, long‐timescale dynamics, and coarse‐grained models, addressing limitations and refining methods.
Kanchan Yadav, Iksoo Jang, Jong Bum Lee
wiley   +1 more source

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

Spin-Flip TDDFT within the Sternheimer Formulation: A Gaussian and Plane Wave Implementation. [PDF]

J Phys Chem A
Hernandez-Segura LI, Luber S.
europepmc   +1 more source

High‐Temperature Oxidation of the CrFeNi Medium‐Entropy Alloy

Advanced Engineering Materials, EarlyView.
The oxidation behavior of equiatomic CrFeNi MEA is a key issue that determines this material's suitability for high‐temperature application. The understanding of long‐term behavior is even more crucial than short‐term corrosion effects. The alloy is exposed to synthetic air at 1000, 1050, and 1100 °C for 24, 100, and 1000 h and systematically compared ...
Anna Maria Manzoni, Wencke Mohring, Mike Schneider, Guillaume Laplanche, Sebastian Peter Hagen, Christiane Stephan‐Scherb   +5 more
wiley   +1 more source

Resolving chemical-motif similarity with enhanced atomic structure representations for accurately predicting descriptors at metallic interfaces. [PDF]

Nat Commun
Cai C, Wang T.
europepmc   +1 more source

A Theory of Safe Locking Policies in Database Systems [PDF]

, 1982
Mihalis Yannakakis
openalex   +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

Heart rate variability and suicidal thoughts and behaviour: study protocol for a systematic review. [PDF]

Syst Rev
Omlor S, Scherbaum N, Höller I, Forkmann T.   +3 more
europepmc   +1 more source

The Route to Artery Mimetics: Hybrid Bioinks for Embedded Bioprinting of Multimaterial Cylindrical Models

Advanced Functional Materials, EarlyView.
The fabrication of a cellularized, multilayered 3D printed cylindrical model comprising hybrid bioinks inspired by the natural extracellular environment as an approach to artery mimetics, is presented. Using embedded bioprinting, interlayer crosslinking of self‐supporting concentric cylinders is achieved.
Uxue Aizarna‐Lopetegui, Ada Herrero‐Ruiz, Monize C. Decarli, Ane Urigoitia‐Asua, Karla Chavarri‐Urraca, Lorenzo Moroni, Malou Henriksen‐Lacey, Dorleta Jimenez de Aberasturi   +7 more
wiley   +1 more source

Unique Performance Considerations for Printable Organic Semiconductor and Perovskite Radiation Detectors: Toward Consensus on Best Practice Evaluation

Advanced Functional Materials, EarlyView.
A lack of standard approaches for testing and reporting the performance of metal halide perovskites and organic semiconductor radiation detectors has resulted in inconsistent interpretation of performance parameters, impeding progress in the field. This Perspective recommends key metrics and experimental details, which are suggested for reporting in ...
Jessie A. Posar, Matthew Large, Andrea Ciavatti, Laura Basiricò, Beatrice Fraboni, Paul J. Sellin, Attila J. Mozer, Marco Petasecca, Matthew J. Griffith   +8 more
wiley   +1 more source