Experiments have shown that charge distributions of granular materials are non-Gaussian, with broad tails that indicate many particles with high charge. This observation has consequences for the behavior of granular materials in many settings, and may bear relevance to the underlying charge transfer mechanism. However, there is the unaddressed possibility that broad tails arise due to experimental uncertainties, as determining the shapes of tails is nontrivial. Here we show that measurement uncertainties can indeed account for most of the tail broadening previously observed. The clue that reveals this is that distributions are sensitive to the electric field at which they are measured; ones measured at low (high) fields have larger (smaller) tails. Accounting for sources of uncertainty, we reproduce this broadening in silico. Finally, we use our results to back out the true charge distribution without broadening, which we find is still non-Guassian, though with substantially different behavior at the tails and indicating significantly fewer highly charged particles. These results have implications in many natural settings where electrostatic interactions, especially among highly charged particles, strongly affect granular behavior.
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http://dx.doi.org/10.1103/PhysRevE.107.034901 | DOI Listing |
ACS Appl Mater Interfaces
January 2025
State Key Laboratory of New Ceramics and Fine Processing, School of Materials Science and Engineering, Tsinghua University, Beijing 100084, China.
Low-loss microwave dielectrics are of significant importance for the miniaturization and integration of microwave devices. In this paper, the ceramics of nominal composition MgTiO ( = 3-6) are synthesized, and the correlations among their phase compositions, defect behaviors, and microwave dielectric properties are systematically investigated. The analyses indicate that the MgTiO ceramics are a biphasic system consisting of hexagonal ilmenite-structured MgTiO and cubic spinel-structured MgTiO.
View Article and Find Full Text PDFJ Am Chem Soc
January 2025
Functional Crystals Lab, Key Laboratory of Functional Crystals and Laser Technology, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190, China.
Tetrahedral halides with broad transparency and large second harmonic effects have the potential to serve as mid-infrared wide-bandgap materials with balanced nonlinear-optical (NLO) properties. However, their regular tetrahedral motifs tend to exhibit low optical birefringence (Δ < 0.03) due to limited structural anisotropy, which constrains their practical phase-matched capability.
View Article and Find Full Text PDFJ Chem Theory Comput
January 2025
Department of Chemistry and Biochemistry, The University of Texas at El Paso, El Paso, Texas 79968, United States.
In this work, we describe a computational tool designed to determine the local dielectric constants (ε) of charge-neutral heterogeneous systems by analyzing dipole moment fluctuations from molecular dynamics (MD) trajectories. Unlike conventional methods, our tool can calculate dielectric constants for dynamically evolving selections of molecules within a defined region of space, rather than for fixed sets of molecules. We validated our approach by computing the dielectric constants of TIP3P water nanospheres, achieving results consistent with literature values for bulk water.
View Article and Find Full Text PDFSmall
January 2025
Institute of Fundamental Technological Research, Polish Academy of Sciences, Pawinskiego 5B Str., Warsaw, 02-106, Poland.
The urea oxidation reaction (UOR) is characterized by a lower overpotential compared to the oxygen evolution reaction (OER) during electrolysis, which facilitates the hydrogen evolution reaction (HER) at the cathode. Charge distribution, which can be modulated by the introduction of a heterostructure, plays a key role in enhancing the adsorption and cleavage of chemical groups within urea molecules. Herein, a facile all-room temperature synthesis of functional heterojunction NiCoS/CoMoS grown on carbon cloth (CC) is presented, and the as-prepared electrode served as a catalyst for simultaneous hydrogen evolution and urea oxidation reaction.
View Article and Find Full Text PDFBackground: Due to its increasing prevalence and suboptimal treatment, non-tuberculous mycobacterial (NTM) infection is an emerging problem in patients with cystic fibrosis (CF). Detailed description of regional NTM prevalence and distribution, and identification of predictors of NTM acquisition in CF are essential to optimise treatment and surveillance guidelines.
Methods: A retrospective, multi-center analysis was conducted between the years 2020 and 2022 on data from 232 adult patients registered in the Hungarian CF Registry in 2022.
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