We present results from a new variant of a diffusion hopping model, the convective diffusive lattice model, to describe the behavior of a particulate flux around bluff obstacles. Particle interactions are constrained to an underlying square lattice where particles are subject to excluded volume conditions. In an extension to previous models, we impose a real continuous velocity field upon the lattice such that particles have an associated velocity vector. We use this velocity field to mediate the position update of the particles through the use of a convective update after which particles also undergo diffusion. We demonstrate the emergence of an expected wake behind a square obstacle which increases in size with increasing object size. For larger objects we observe the presence of recirculation zones marked by the presence of symmetric vortices in qualitative agreement with experiment and previous simulations.
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http://dx.doi.org/10.1103/PhysRevE.95.013307 | DOI Listing |
Angew Chem Int Ed Engl
January 2025
Xi'an Jiaotong University, School of Chemistry, CHINA.
Direct regeneration of spent lithium-ion batteries offers economic benefits and a reduced CO2 footprint. Surface prelithiation, particularly through the molten salt method, is critical in enhancing spent cathode repair during high-temperature annealing. However, the sluggish Li+ transport kinetics, which relies on thermally driven processes in the traditional molten salt methods, limit the prelithiation efficiency and regeneration of spent cathodes.
View Article and Find Full Text PDFJ Am Chem Soc
January 2025
Department of Chemistry and Center for NanoScience (CeNS), University of Munich (LMU), Butenandtstraße 5-13, Munich 81377, Germany.
Covalent organic frameworks (COFs), crystalline and porous conjugated structures, are of great interest for sustainable energy applications. Organic building blocks in COFs with suitable electronic properties can feature strong optical absorption, whereas the extended crystalline network can establish a band structure enabling long-range coherent transport. This peculiar combination of both molecular and solid-state materials properties makes COFs an interesting platform to study and ultimately utilize photoexcited charge carrier diffusion.
View Article and Find Full Text PDFBMB Rep
December 2024
Department of Biological Sciences, Korea Advanced Institute of Science and Technology, Daejeon, 34141, South Korea.
Base excision repair (BER) is an essential cellular mechanism that repairs small, non-helix-distorting base lesions in DNA, resulting from oxidative damage, alkylation, deamination, or hydrolysis. This review highlights recent advances in understanding the molecular mechanisms of BER enzymes through single-molecule studies. We discuss the roles of DNA glycosylases in lesion recognition and excision, with a focus on facilitated diffusion mechanisms such as sliding and hopping that enable efficient genome scanning.
View Article and Find Full Text PDFMolecules
December 2024
Faculty of Science and Technology, Jan Dlugosz University, Al. Armii Krajowej 13/15, 42-200 Czestochowa, Poland.
The structural and dynamic properties of poly(2-hydroxyethyl methacrylate) (PHEMA) and poly(-vinylpyrrolidone--2-hydroxyethyl methacrylate) [P(VP--HEMA)], dry and as hydrogels, were studied by molecular dynamics simulations. The P(VP--HEMA) chains differed in the number of VP mers, distributed randomly or in blocks. In all considered configurations, HEMA and VP side chains proved relatively rigid and stable.
View Article and Find Full Text PDFNano Lett
December 2024
Department of Physics, Emory University, Atlanta, Georgia 30322, United States.
SrIrO is a metallic complex oxide with unusual electronic and magnetic properties believed to originate from electron correlations due to its proximity to the Mott metal-insulator transition. However, the nature of its electronic state and the mechanism of metallic conduction remain poorly understood. We demonstrate that the shot noise produced by nanoscale SrIrO junctions is strongly suppressed, inconsistent with diffusive quasiparticle transport.
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