Results 151 to 160 of about 814,982 (250)

How quantum-chemical geometry optimization level affects classical 3D descriptors and QSAR performance: a comparative study. [PDF]

J Cheminform
Li J, Gu R, Du S, Xu L.
europepmc   +1 more source

Bioinspired Polypeptide Dendrimer‐Modified Thin‐Film Composite Membranes for Selective Lithium‐Magnesium Separation with DFT Insights

Advanced Functional Materials, EarlyView.
We fabricated a biomimetic dendrimer‐modified thin‐film nanocomposite membrane with a coordination‐assisted ion‐selective interface. pH‐responsive polypeptide sites preferentially bind Mg2+ and promote Li+ permeation, as predicted by density functional theory calculations of metal‐ligand interactions.
Mehrasa Yassari, Seyedeh Fatemeh Seyedpour, Bamlak Setegne, Amir Aghaei, Behzad Ahvazi, Mostafa Dadashi Firouzjaei, Mark Elliott, Mohtada Sadrzadeh   +7 more
wiley   +1 more source

Concrete Mesostructure Modeling via Random Radius Field and Rigid Body Dynamics Packing. [PDF]

Materials (Basel)
Zhang Z, Wu H, Wei M, Zhang X, Zhou Y, Hu X.   +5 more
europepmc   +1 more source

Programmable In‐Situ Interactions Between Resins and Photopolymerized Structures for Seamlessly Integrated Optical Manufacturing of Microlenses

Advanced Functional Materials, EarlyView.
This study presents a dynamic interaction between liquid resins and photopolymerized structures enabled by an in situ light‐writing setup. By controlling a three‐phase interface through localized photopolymerization, which provides physical confinement for the remaining uncured resin regions, the approach establishes a programmable pathway that ...
Kibeom Kim, Sangmin Oh, Kahyun Hur, Hyesung Cho   +3 more
wiley   +1 more source

From Wafers to Electrodes: Transferring Automatic Optical Inspection (AOI) for Multiscale Characterization of Smart Battery Manufacturing

Advanced Functional Materials, EarlyView.
Automat optical inspection (AOI) techniques in semiconductor fabrication can be leveraged in battery manufacturing, enabling scalable detection and analysis of electrode‐ and cell‐level imperfections through AI‐driven analytics and a digital‐twin framework.
Jianyu Li, Ertao Hu, Wei Wei, Feifei Shi
wiley   +1 more source

On the relevance of facesheet orifice geometry to acoustic liner impedance. [PDF]

NPJ Acoust
Avallone F, Khedr A, Paduano A, Scarano F, Meirelles L, Cordioli J.   +5 more
europepmc   +1 more source

Accelerated Discovery of High Performance Ni3S4/Ni3Mo HER Catalysts via Bayesian Optimization

Advanced Functional Materials, EarlyView.
Integrated workflow accelerates the catalyst discovery of hydrogen evolution reaction via Bayesian optimization. An experiment‐trained surrogate model proposes synthesis conditions, guiding iterative refinement using electrochemical performance metrics.
Namuersaihan Namuersaihan, Zhiqiang Zhao, Oliver J. Conquest, Ying Shu, Haoyue Sun, Chunjing Su, Qi Cheng, Aloysius Soon, Catherine Stampfl, Jun Huang   +9 more
wiley   +1 more source

Development and Evaluation of a Simplified CFD Model for a Swirl Diffuser with the Aid of 2D Particle Image Velocimetry. [PDF]

ACS Omega
Šikula O, Krajčík M, Zubík P, Mishuk A, Arici M.   +4 more
europepmc   +1 more source

Frontier Advances of Emerging High‐Entropy Anodes in Alkali Metal‐Ion Batteries

Advanced Functional Materials, EarlyView.
Recent advances in microscopic morphology control of high‐entropy anode materials for alkali metal‐ion batteries. Abstract With the growing demand for sustainable energy, portable energy storage systems have become increasingly critical. Among them, the development of rechargeable batteries is primarily driven by breakthroughs in electrode materials ...
Liang Du, Kaidi Zhang, Liang Wang, Di Zhao, Mengqing Hu, Mingli Li, Ming Zhou, Zhenzhen Wu, Mengyang Dong, Bo Fu, Porun Liu, Yun Wang, Hongxia Wang, Yuantong Gu, Lei Zhang   +14 more
wiley   +1 more source

Video-Based 3D Reconstruction: A Review of Photogrammetry and Visual SLAM Approaches. [PDF]

J Imaging
Javadi Moghadam A, Kiani A, Naeimaei R, Malihi S, Brilakis I.   +4 more
europepmc   +1 more source