Results 201 to 210 of about 121,348 (314)

A Computational Study of a [2]Rotaxane Molecular Shuttle with All‐Atoms Molecular Dynamics and Density Functional Theory Simulations in Solution

open access: yesChemPhysChem, Volume 27, Issue 1, January 2026.
A H‐shaped [2]rotaxane is investigated in CH2Cl2 with all‐atoms molecular dynamics simulations combining quantum theory of atoms in molecules (QTAIM) descriptors with density functional theory (DFT) algorithms. Also, the nature of the chemical interactions modulating the formation of a square planar complex following the coordination of a PtCl2 moiety ...
Costantino Zazza   +3 more
wiley   +1 more source

Chirality-driven all-optical image differentiation. [PDF]

open access: yesNanophotonics
Koufidis SF   +4 more
europepmc   +1 more source

Tutorial Overview: Numerical Synergy in Muffler Acoustic Design A Critical Comparison of TMM, FEM, and CFD Approaches for Transmission Loss Quantification

open access: yesEngineering Reports, Volume 8, Issue 1, January 2026.
Experimental measurements reveal distinct performance boundaries: TMM achieves rapid convergence (< 2 dB error below 2000 Hz) but neglects 3D wave effects; FEA maintains < 10% deviation up to 3500 Hz with 90% reduced computational cost versus CFD; while transient CFD captures broadband attenuation trends despite 10× higher resource demands.
Bin Fang, Tong Wei, Yi Yang, Xintie Wang
wiley   +1 more source

A Bayesian Multisource Fusion Model for Spatiotemporal PM2.5$$ {\mathrm{PM}}_{2.5} $$ in an Urban Setting

open access: yesEnvironmetrics, Volume 37, Issue 1, January 2026.
ABSTRACT Airborne particulate matter (PM2.5$$ {\mathrm{PM}}_{2.5} $$) is a major public health concern in urban environments, where population density and emission sources exacerbate exposure risks. We present a novel Bayesian spatiotemporal fusion model to estimate monthly PM2.5$$ {\mathrm{PM}}_{2.5} $$ concentrations over Greater London (2014–2019 ...
Abi I. Riley   +7 more
wiley   +1 more source

A Force‐Based Beam‐Column Element With Selective Gradient‐Inelasticity for Softening Materials in 3‐Dimensional Nonlinear Analysis

open access: yesEarthquake Engineering &Structural Dynamics, Volume 55, Issue 1, Page 26-45, January 2026.
ABSTRACT Fiber‐based beam‐column elements featuring an effective material constitutive law with softening can capture the degrading response of structural members under extreme loading. However, these elements exhibit strain localization and mesh divergence, which impedes their accuracy.
Diego Isidoro Heredia Rosa   +4 more
wiley   +1 more source

Advanced Clustering and Optimisation Techniques for Adaptive Protection in AC Microgrids With Hardware‐in‐the‐Loop Testing

open access: yesEnergy Science &Engineering, Volume 14, Issue 1, Page 377-398, January 2026.
Standard and proposed non‐standard OCR characteristics. ABSTRACT This study introduces an advanced adaptive protection approach for AC power systems, designed to address key limitations in current clustering‐based relay coordination methods. Using K‐means, hierarchical, and spectral clustering techniques, the proposed scheme classifies grid operating ...
Feras Alasali   +6 more
wiley   +1 more source

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