Results 161 to 170 of about 135,271 (312)

BACH, a Bayesian Optimization Protocol for Accurate Coarse‐Grained Parameterization of Organic Liquids

Advanced Functional Materials, EarlyView.
We present a fully automated Bayesian optimization (BO) protocol for the parameterization of nonbonded interactions in coarse‐grain CG force fields (BACH). Using experimental thermophysical data, we apply the protocol to a broad range of liquids, spanning linear, branched, and unsaturated hydrocarbons, esters, triglycerides, and water.
Janak Prabhu, Akhil Pratap Singh, Pablo Campomanes, Stefano Vanni   +3 more
wiley   +1 more source

Single‐ and Dual‐Atom Configurations in Atomically Dispersed Catalysts for Lithium–Sulfur Batteries

Advanced Functional Materials, EarlyView.
Single‐atom and dual‐atom‐based atomically dispersed catalysts (ADCs) effectively address the shuttle effect and sluggish redox kinetics in Li–S batteries. With nearly 100% atomic utilization and tunable coordination environments, ADCs enhance LiPSs adsorption, lower conversion barriers, and accelerate sulfur redox reactions.
Haoyang Xu, Zhenfeng Li, Yue Fei, Ali Mohammadi, Ge Li   +4 more
wiley   +1 more source

Elucidating the Role of Surface Ligands on the Oxidative Etching of Au Bipyramids During Photothermia Using Liquid Cell Transmission Electron Microscopy

Advanced Functional Materials, EarlyView.
Gold bipyramids can act as efficient plasmonic nanoheaters, but they often reshape during laser heating. This study shows that oxygen nanobubbles drive oxidative etching and that surface ligands control stability. CTAB‐ and citrate‐coated particles blunt and lose optical performance, whereas polystyrene sulfonate preserves shape and heating by ...
Irene López‐Sicilia, Valentina Girelli Consolaro, Sophie Marbach, Nancy Rahbany, Grégoire Petit, Ovidiu Ersen, Juan J. Giner‐Casares, Ali Abou‐Hassan   +7 more
wiley   +1 more source

Composition optimization of mastic in recycled asphalt mixtures based on pavement performance. [PDF]

PLoS One
Li X, Liu Z, Fu K, Zhang K, Chen M.
europepmc   +1 more source

Toward Stable Multivalent Metal Batteries: Understanding the Interfacial Chemistry for Magnesium and Calcium Metal Anodes

Advanced Functional Materials, EarlyView.
Interphase chemistry governs the stability of multivalent metal batteries. We summarize state‐of‐the‐art developments in calcium and magnesium metal batteries by focusing on the correlation among electrolytes, interphase layers, and the electrochemical performance of corresponding metal anodes.
Huijun Lin, Qi Meng, Juncai Long, Chuheng Cao, Zheng‐Long Xu   +4 more
wiley   +1 more source

Research on the Pavement Performance of Fiber-Reinforced High Modulus Asphalt Concrete. [PDF]

Polymers (Basel)
Chen G, Wang T, Yao Y.
europepmc   +1 more source

Algorithmic Design of Disordered Networks With Arbitrary Coordination: Application to Biophotonics

Advanced Functional Materials, EarlyView.
Predictive Design of Disordered Networks: Disordered network‐like morphologies are abundant in nature, from cytoskeletal networks to bone structures and chalcogenide glasses. These structures are naturally hard to characterize. A new algorithmic tool extends the established Wooten–Weaire–Winer (WWW) algorithm to valencies above 4.
Florin Hemmann, Vincent Glauser, Ullrich Steiner, Matthias Saba   +3 more
wiley   +1 more source

Utilizing spatial artificial intelligence to develop pavement performance indices: a case study. [PDF]

Sci Rep
Milad A, Ali AA, Al-Sulaimi ZS, Al-Kindi KM.   +3 more
europepmc   +1 more source

Tissue‐Stimulator Platform for Electrically Stimulating Pancreatic β‐Cells for Long‐Term Functional Regulation

Advanced Functional Materials, EarlyView.
We present a tissue‐stimulator platform for seamless electrode integration with pancreatic tissue, applying uniform electrical stimulation through optimized design with biohybrid 3D printing. Advantageous effects of electrical stimulation on β‐cell function were observed, including enhanced calcium signaling, islet morphology, and maturation.
Jihwan Kim, Uijung Yong, Myungji Kim, Jaewook Kim, Yeonggwon Jo, In Kyong Shim, Song Cheol Kim, Jinah Jang   +7 more
wiley   +1 more source

Prediction of pavement performance via smatrphone vibration-induced unevenness signature using machine learning. [PDF]

Sci Rep
Wasiq S, Golroo A, Amani MJ, Hajikarimi P.   +3 more
europepmc   +1 more source