Results 231 to 240 of about 3,238,502 (335)

Effect of Atomic Charges on C2H2/CO2/CH4 Separation Performances of Covalent‐Organic Framework Adsorbents

open access: yesAdvanced Theory and Simulations, EarlyView.
Three charge assignment approaches (one quantum chemistry method‐based, the other two machine‐learning (ML) model‐based) are employed to investigate acetylene separation performances of experimental covalent‐organic frameworks. Partial Atomic Charge Predicter for Porous Materials based on Graph Convolutional Neural Network (PACMAN) ML model‐based ...
Hakan Demir, Ilknur Erucar
wiley   +1 more source

The Potential-Dependent Structure of Pt<sub>3</sub>Ni Alloy Electrocatalysts and Its Effect on Electrocatalytic Activity. [PDF]

open access: yesACS Catal
Javed H   +7 more
europepmc   +1 more source

Predicting Fiber Length Characteristics of Recycled Cotton and Cellulose Fiber Blends Using Machine Learning Models

open access: yesAdvanced Theory and Simulations, EarlyView.
This study explores machine learning‐driven prediction of fiber length characteristics in sustainable yarn blends made from recycled cotton and Lyocell. By analyzing empirical data through models like Random Forest and Gradient Boosting, and interpreting results with SHAP, key fiber length features from the Staple Diagram and Fibrogram are identified ...
Tuser Tirtha Biswas   +2 more
wiley   +1 more source

BiVO<sub>4</sub>-polyvinyl alcohol composites: a novel approach to wastewater treatment with antimicrobial efficacy. [PDF]

open access: yesRSC Adv
Shahzad R   +9 more
europepmc   +1 more source

Design, Simulation, and Fabrication of High‐Performance Metamaterial Absorber for EMI Mitigation and THz NDT/Imaging Applications: A Shape‐Preserved GHz‐to‐THz Transition Approach

open access: yesAdvanced Theory and Simulations, EarlyView.
A novel metamaterial absorber is designed, simulated, and validated for both 5G mmWave and THz applications, achieving >95.8% and 90% absorption, respectively. Its polarization‐insensitive, scalable design enables applications in THz NDT, imaging, and EMI shielding.
Ahmet Teber
wiley   +1 more source

Optically Switchable Fluorescence Enhancement at Critical Interparticle Distances

open access: yesAdvanced Theory and Simulations, EarlyView.
In this work, we present the results of a complete FDTD (Finite Difference Time Domain) model specifically tailored for the precise determination of critical interparticle distances yielding observable fluorescence enhancement. We further report an optical switch applied on a metal nanoparticle to actively control the radiative decay rate of a closely ...
Arda Gulucu, Emre Ozan Polat
wiley   +1 more source

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