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We numerically examine mixtures of circularly moving and passive disks as a function of density and active orbit radius. For low or intermediate densities and/or small orbit radii, the system can organize into a reversible partially phase separated labyrinth state in which there are no collisions between disks, with the degree of phase separation increasing as the orbit radius increases. As a function of orbit radius, we find a divergence in the number of cycles required to reach a collision-free steady state at a critical radius, while above this radius, the system remains in a fluctuating liquid state. For high densities, the system can organize into a fully phase separated state that is mostly reversible, but collisions at the boundaries between the phases lead to a net transport of disks along the boundary edges in a direction determined by the chirality of the active disk orbits. We map the dynamic phases as a function of density and orbit radii and discuss the results in terms of the reversible-irreversible transition found in other periodically driven non-thermal systems. We also consider mixtures of circularly driven disks and ac driven disks where the ac drive is either in or out of phase with the circular motion and find a rich variety of pattern forming and reentrant disordered phases.
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http://dx.doi.org/10.1063/1.5085209 | DOI Listing |
J Colloid Interface Sci
August 2025
School of Chemistry, Dalian University of Technology, Dalian 116024, PR China; College of Environment and Chemical Engineering, Dalian University, Dalian 116622, China. Electronic address:
Aqueous batteries have become a prospective future energy storage system because of their low coefficient of cost and stability. However, their lower energy density limits their applications. Ammonium ions (NH) have a small hydration radius and light molar mass, and aqueous ammonium ion batteries (AAIBs) are anticipated for solving the inherent low-energy density problem of aqueous batteries.
View Article and Find Full Text PDFChem Sci
August 2025
College of Chemistry and Chemical Engineering, Jiangxi Province Engineering Research Center of Ecological Chemical Industry, Jiujiang University Jiujiang 332005 China
BN-fused aromatic compounds have garnered significant attention due to their unique electronic structures and exceptional photophysical properties, positioning them as highly promising candidates for applications in organic optoelectronics. However, the regioselective synthesis of BN isomers remains a formidable challenge, primarily stemming from the difficulty in precisely controlling reaction sites, limiting structural diversity and property tunability. Herein, we propose a regioselective synthetic strategy that employs 2,1-BN-naphthalene derivatives, wherein selective activation of N-H and C-H bonds is achieved in conjunction with -halogenated phenylboronic acids.
View Article and Find Full Text PDFNat Commun
August 2025
Frontiers Science Center for Transformative Molecules, School of Chemistry and Chemical Engineering, Zhangjiang Institute for Advanced Study, Shanghai Jiao Tong University, Shanghai, China.
Ruthenium-bearing intermetallics (Ru-IMCs) featured with well-defined structures and variable compositions offer new opportunities to develop ammonia synthesis catalysts under mild conditions. However, their complex phase nature and the numerous controlling parameters pose major challenges for catalyst design and exploration. Herein, we demonstrate that a combination of machine learning (ML) and model mining techniques can effectively address these challenges.
View Article and Find Full Text PDFPhys Chem Chem Phys
September 2025
State Key Laboratory of Materials-Oriented Chemical Engineering, School of Chemistry and Molecular Engineering, Nanjing Tech University, Nanjing 211816, China.
Quantum chemical calculations using density functional theory at the BP86/def2-TZVPP level are reported for the structures and aromaticities of the monocyclic molecules EH and EH (E = C, Si). The results reveal drastic differences between the carbon and silicon homologues. Benzene (1b) is the global energy minimum on the CH PES whereas planar SiH (2d) is not an energy minimum and the form 2c is higher in energy than the prismane isomer 2a.
View Article and Find Full Text PDFMolecules
July 2025
Department of Applied Chemistry, National Chiayi University, Chiayi 60004, Taiwan.
Using density functional theory (M06-2X-D3/def2-TZVP), we investigated the 1,2-addition reactions of NH with a series of heavy imine analogues, (where G13 denotes a Group 13 element; Rea = reactant), featuring a mixed G13-P-Ga backbone. Theoretical analyses revealed that the bonding nature of the G13=P moiety in molecules varies with the identity of the Group 13 center. For G13=B, Al, Ga, and In, the bonding is best described as a donor-acceptor (singlet-singlet) interaction, whereas for G13=Tl, it is characterized by an electron-sharing (triplet-triplet) interaction.
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