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In this study, we achieved energy localization and amplification of flexural vibrations by utilizing the defect mode of plate-attachable locally resonant metamaterials, thereby realizing compact and low-frequency vibration energy suppression and energy harvesting with enhanced output performance. We designed a cantilever-based metamaterial unit cell to induce local resonance inside a periodic supercell structure and form a bandgap within the targeted low-frequency range of 300-450 Hz. Subsequently, a defect area was created by removing some unit cells to break the periodicity inside the metamaterial, which led to the isolation and localization of the vibration energy. This localized vibration energy was simultaneously converted into electrical energy by a piezoelectric energy harvester coupled with a metamaterial inside the defect area. Consequently, a substantially enhanced energy harvesting output power was achieved at 360 Hz, which was 43-times higher than that of a bare plate without metamaterials. The proposed local resonant metamaterial offers a useful and multifunctional platform with the capability of vibration energy isolation and harvesting, while exhibiting easy handling via attachable designs that can be tailored in the low-frequency regime.
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http://dx.doi.org/10.1186/s40580-024-00445-2 | DOI Listing |
J Chem Phys
September 2025
Key Laboratory of Materials Modification by Laser, Electron, and Ion Beams (Ministry of Education), School of Physics, Dalian University of Technology, Dalian 116024, People's Republic of China.
This study investigates the stereodynamical control of the H + HBr (v = 0, j = 1) reaction within 0.01-1.50 eV collision energy using the time-dependent wave packet method.
View Article and Find Full Text PDFJ Phys Chem A
September 2025
Deparment of Chemistry, Aarhus University, Langelandsgade 140, 8000 Aarhus C, Denmark.
Based on a theoretical analysis of systems composed of subsystems described using a coupled cluster parametrization, we developed a vibrational coupled cluster embedding theory specifically tailored for the computation of response properties. This work identifies several strategies for calculating excitation energies, transition probabilities, and other response functions in large systems of interacting subsystems. A particularly effective embedding approach was formulated around a Lagrangian with multilinear interaction terms, yielding a structure that is nonlinear in both coupled cluster amplitudes and multipliers.
View Article and Find Full Text PDFACS Omega
September 2025
School of Chemical Engineering, Inner Mongolia Key Laboratory of Theoretical and Computational Chemistry Simulation, Inner Mongolia University of Technology, Hohhot 010051, P. R. China.
The incorporation of transitional elements into silicon or germanium-based semiconductor clusters not only notably improves their structural stability but also endows them with unprecedented multifunctionalities. In this work, the structural, vibrational, and electronic properties for copper-doped silicon and germanium cation clusters Cu (X = Si or Ge, = 6-16) are systematically investigated. The ground-state structures are identified using the PBE0 and mPW2PLYP method combined with a global search technique.
View Article and Find Full Text PDFACS Omega
September 2025
Aarhus University, Department of Chemistry, Langelandsgade 140, Aarhus DK 8000, Denmark.
Accurately modeling the binding free energies associated with molecular cluster formation is critical for understanding atmospheric new particle formation. Conventional quantum-chemistry methods, however, often struggle to describe thermodynamic contributions, particularly in systems exhibiting significant anharmonicity and configurational complexity. We employed umbrella sampling, an enhanced-sampling molecular dynamics technique, to compute Gibbs binding free energies for clusters formed from a diverse set of new particle formation precursors, including sulfuric acid, ammonia, dimethylamine, and water.
View Article and Find Full Text PDFJ Phys Chem Lett
September 2025
Pacific Northwest National Laboratory, Richland, Washington 99354, United States.
Water-ion interactions govern the physicochemical properties of aqueous solutions, impacting the structure of the hydrogen bonding network and ion diffusivities. To elucidate these effects under alkaline conditions relevant to diverse application spaces, we examined NaOD-DO solutions using two-dimensional infrared spectroscopy (2D-IR), small-angle X-ray scattering (SAXS), and nuclear magnetic resonance spectroscopy (NMR). Vibrational energy transfer between the donor anion SeCN, used as a 2D-IR probe, and the acceptor anion OD was used to track the average separation distance of ions in the DO solutions, while SAXS and NMR experiments measured the structure of the bulk DO solvent.
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