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An asymptotic solution of the Boltzmann equation is developed for ICR absorption, without restrictions on the ion-neutral collision frequency or mass ratio. Velocity dependence of the collision frequency causes deviations from Lorentzian line shape.
Doubly excited 3P(e) resonant states in Ps(-) are calculated using a method of complex-coordinate rotation. Resonance parameters (both resonance positions and widths) for doubly excited states associated with the n = 2, 3, 4, 5, and 6 thresholds of positronium atoms are evaluated using elaborate Hylleraas-type functions. In addition to ten Feshbach-type resonances lying below various Ps thresholds, three shape resonances were identified, one each lying above the n = 2, 4, and 6 Ps thresholds. It is further noted that the energy levels for the present 3P(e) states are nearly degenerate with respect to the previously calculated 1P(0) states. Such a symmetric character suggests that the highly and doubly excited Ps(-), similar to its counterpart in H(-), would exhibit rovibrational behaviors analogous to those of XYX triatomic molecules.
An innovative approach to obtaining high energy at 946 nm has yielded 101 mJ of laser energy with an optical-to-optical slope efficiency of 24.5%. A single gain module resonator was evaluated, yielding a maximum output energy of 50 mJ. In order to obtain higher energy a second gain module was incorporated into the resonator. This innovative approach produced un-surprised output energy of 101 mJ. This is of utmost importance since it demonstrates that the laser output energy scales directly with the number of gain modules. Therefore, higher energies can be realized by simply increasing the number of gain modules within the laser oscillator. The laser resonator incorporates two gain modules into a folded "M-shaped" resonator, allowing a quadruple pass gain within each rod. Each of these modules consists of a diode (stack of 30 microlensed 100 Watt diode array bars, each with its own fiber lens) end-pumping a Nd:YAG laser rod. The diode output is collected by a lens duct, which focuses the energy into a 2 mm diameter flat to flat octagonal pump area of the laser crystal. Special coatings have been developed to mitigate energy storage problems, including parasitic lasing and amplified spontaneous emission (ASE), and encourage the resonator to operate at the lower gain transition at 946 nm.
The first section of the results presented herein was conducted on an axisymmetric resonator configured with open ventilation ports on either end of the resonator, but otherwise closed and free from obstruction. The remaining section presents the results of a similar resonator shape that was closed, but contained an axisymmetric blockage centrally located through the axis of the resonator. Ambient air was used as the working fluid. In each of the studies, the resonator was oscillated at the resonant frequency of the fluid contained within the cavity while the dynamic pressure, static pressure, and temperature of the fluid were recorded at both ends of the resonator. The baseline results showed a marked reduction in the amplitude of the dynamic pressure waveforms over previous studies due to the use of air instead of refrigerant as the working fluid. A sharp reduction in the amplitude of the acoustic pressure waves was expected and recorded when the configuration of the resonators was modified from closed to open. A change in the resonant frequency was recorded when blockages of differing geometries were used in the closed resonator, while acoustic pressure amplitudes varied little from baseline measurements.
Position and width of lowest elastic scattering resonances in three-body atomic system, showing resonance shape dependence upon observation angle and angular resolution
Nonlinear acoustic standing waves of high amplitude have been demonstrated by utilizing the effects of resonator shape to prevent the pressure waves from entering saturation. Experimentally, nonlinear acoustic standing waves have been generated by shaking an entire resonating cavity. While this promotes more efficient energy transfer than a piston-driven resonator, it also introduces complicated structural dynamics into the system. Experiments have shown that these dynamics result in resonator forcing functions comprised of a sum of several Fourier modes. However, previous numerical studies of the acoustics generated within the resonator assumed simple sinusoidal waves as the driving force. Using a previously developed numerical code, this paper demonstrates the effects of using a forcing function constructed with a series of harmonic sinusoidal waves on resonating cavities. From these results, a method will be demonstrated which allows the direct numerical analysis of experimentally generated nonlinear acoustic waves in resonators driven by harmonic forcing functions.
A microwave oscillator is provided which can operate at a temperature of many degrees above absolute zero while providing very low phase noise that has heretofore generally required temperatures within a few degrees K. The oscillator includes a ring-shaped resonant element of ruby (sapphire plus chromium) or iron sapphire crystal, lying adjacent to a resonator element of sapphire, so that the regenerator element lies directly in the magnetic field of the resonator element. The resonator element is substantially devoid of contact with electrically conductive material. Microwave energy of a pump frequency (e.g., 31 GHz) is outputted from the regenerator element, while signal energy (e.g., 10 GHz) is outputted from the resonator element.
A vertically-coupled whispering gallery mode (WGM) resonator optical waveguide, a method of reducing a group velocity of light, and a method of making a waveguide are provided. The vertically-coupled WGM waveguide comprises a cylindrical rod portion having a round cross-section and an outer surface. First and second ring-shaped resonators are formed on the outer surface of the cylindrical rod portion and are spaced from each other along a longitudinal direction of the cylindrical rod. The first and second ringshaped resonators are capable of being coupled to each other by way an evanescent field formed in an interior of the cylindrical rod portion.
We simulate whispering-gallery mode coupling in a Si$_3$N$_4$--LiNbO$_3$ waveguide--resonator system using 2D and 3D COMSOL models. Results show that the TM$_{00}$ mode couples far more efficiently than TE$_{00}$ due to weaker confinement and stronger evanescent overlap, with critical coupling reached near a 0.20~µm gap. The study highlights polarization dependence, geometric sensitivity, and birefringence as key factors shaping resonant behavior.
We simulate whispering-gallery mode coupling in a Si$_3$N$_4$--LiNbO$_3$ waveguide--resonator system using 2D and 3D COMSOL models. Results show that the TM$_{00}$ mode couples far more efficiently than TE$_{00}$ due to weaker confinement and stronger evanescent overlap, with critical coupling reached near a 0.20~µm gap. The study highlights polarization dependence, geometric sensitivity, and birefringence as key factors shaping resonant behavior.
A wireless in-plane strain and displacement sensor includes an electrical conductor fixedly coupled to a substrate subject to strain conditions. The electrical conductor is shaped between its ends for storage of an electric field and a magnetic field, and remains electrically unconnected to define an unconnected open-circuit having inductance and capacitance. In the presence of a time-varying magnetic field, the electrical conductor so-shaped resonates to generate harmonic electric and magnetic field responses. The sensor also includes at least one electrically unconnected electrode having an end and a free portion extending from the end thereof. The end of each electrode is fixedly coupled to the substrate and the free portion thereof remains unencumbered and spaced apart from a portion of the electrical conductor so-shaped. More specifically, at least some of the free portion is disposed at a location lying within the magnetic field response generated by the electrical conductor. A motion guidance structure is slidingly engaged with each electrode's free portion in order to maintain each free portion parallel to the electrical conductor so-shaped.
Interactions of low-energy electrons with the DNA and RNA nucleobases are known to form metastable states, known as electronic resonances. In this work, we study electron attachment to solvated uracil, an RNA nucleobase, using the orbital stabilization method at the Equation of Motion-Coupled Cluster for Electron Affinities with Singles and Doubles (EOM-EA-CCSD) level of theory with the Effective Fragment Potential (EFP) solvation method. We benchmarked the approach using multireference methods, as well as by comparing EFP and full quantum calculations. The impact of solvation on the first one particle (1p) shape resonance, formed by electron attachment to the π* LUMO orbital, as well as the first two particle one hole (2p1h) resonance, formed by electron attachment to neutral uracil's π–π* excited state, was investigated. We used molecular dynamics simulations for solvent configurations and applied charge stabilization technique-based biased sampling to procure configurations adequate to cover the entire range of the electron attachment energy distribution. The electron attachment energy in solution is found to be distributed over a wide range of energies, between 4.6 eV to 6.8 eV for the 2p1h resonance, and between −0.1 eV to 2 eV for the 1p resonance. The solvent effects were similar for the two resonances, indicating that the exact electron density of the state is not as important as the solvent configurations. Multireference calculations extended the findings showing that solvation effects are similar for the lowest four resonances, further indicating that the specific solute electron density is not as important, but rather the water configurations play the most important role in solvation effects. Lastly, by comparing bulk solvation to clusters of uracil with a few water molecules around it, we find that the impact of microsolvation is very different from that of bulk solvation.
A potential vorticity model in a beta-channel is used to analyze the resonant response of equivalent-barotropic flow to topography in the presence of a forced zonal jet with arbitrary meridional structure. The nonlinear dynamics near different resonances is studied considering both wave-wave and wave-zonal flow interactions. It is shown that Hopf bifurcations from stationary to periodic flows are possible due to the nonlinear instability of nonzonal, topographically forced flow. Low-frequency, finite-amplitude oscillations arise due to a combination of two factors: (1) nonlinear wave-wave interactions, which tend to reduce the Rossby wave frequency; and (2) wave-zonal flow interactions, which reflect the importance of wave momentum transport in shifting the westerly jet and of the topographic form drag. The physical mechanism of atmospherically realistic Hopf bifurcations depends crucially on the meridional profile of the mean zonal flow giving rise to a dipole-shaped resonance.
Ion pairing study in unresolved metal hyperfine splitting spectral region, using electron spin resonance line shape analysis
We present a distorted-wave with exchange (DWE) formulation for computing electron-impact ionization (EII) cross sections within the recently developed excited states method (ESM) for plasmas. The ESM provides a self-consistent quantum-mechanical description of both bound and continuum electronic states in dense plasmas, incorporating finite-temperature and screening effects absent in isolated-atom approaches. Using this framework, we calculate EII cross sections for lithium across a wide range of temperatures and densities. We show that the ESM reproduces the isolated-atom limit at low densities while capturing strong plasma effects, such as pressure ionization and shape resonances, at solid density. Comparisons with isolated-atom DWE and average-atom (AA) calculations reveal that, although AA cross sections can approximate configuration average behavior, the ESM provides more accurate, state-resolved answers. In conclusion, these results demonstrate that the ESM allows one to obtain rate coefficients for collisional-radiative modeling of plasmas out of local thermodynamical equilibrium.
The photoelectric effect is not truly instantaneous, but exhibits attosecond delays that can reveal complex molecular dynamics. Sub-femtosecond duration light pulses provide the requisite tools to resolve the dynamics of photoionization. Accordingly, the past decade has produced a large volume of work on photoionization delays following single photon absorption of an extreme ultraviolet (XUV) photon. However, the measurement of time-resolved core-level photoionization remained out of reach. The required x-ray photon energies needed for core-level photoionization were not available with attosecond tabletop sources. We have now measured the x-ray photoemission delay of core-level electrons, and here report unexpectedly large delays, ranging up to 700 attoseconds in NO near the oxygen K-shell threshold. These measurements exploit attosecond soft x-ray pulses from a free-electron laser (XFEL) to scan across the entire region near the K-shell threshold. Furthermore, we find the delay spectrum is richly modulated, suggesting several contributions including transient trapping of the photoelectron due to shape resonances, collisions with the Auger-Meitner electron that is emitted in the rapid non-radiative relaxation of the molecule, and multi-electron scattering effects. Finally, the results demonstrate how x-ray attosecond experiments, supported by comprehensive theoretical modelling, can unravel the complex correlated dynamics of core-level photoionization.
Plasma treatment of per- and polyfluoroalkyl substances (PFAS) contaminated water is a potentially energy efficient remediation method. In this treatment, an atmospheric pressure plasma interacts with surface-resident PFAS molecules. Developing a reaction mechanism and modeling of plasma–PFAS interactions requires fundamental data for electron–molecule reactions. In this paper, we present results of electron scattering calculations, potential energy landscapes and their implications for plasma modelling of a dielectric barrier discharge in PFAS contaminated gases, a first step towards modelling of plasma–water–PFAS intereactions. It is found that the plasma degradation of PFAS is dominated by dissociative electron attachment with the importance of other contributing processes varying depending on the molecule. All molecules posses a large number of shape resonances – transient negative ion states – from near-threshold up to ionization threshold. These states lie in the region of the most probable electron energies in the plasma (4–5 eV) and consequently are expected to further enhance the fragmentation dynamics in both dissociative attachment and dissociative excitation.
The high resolution Rydberg absorption spectrum of 2-butyne C 4 H 6 recorded previously at the SOLEIL synchrotron facility has been interpreted using multichannel quantum defect theory (MQDT). The calculations are based on the continuum scattering calculations of Xu et al., J. Chem. Phys. 136, 154303 (2012) and of Jacovella et al., J. Phys. Chem. A 119, 12339 (2015) pertaining to the dipole-allowed excited state symmetries in absorption from the ground state. In contrast to the traditional approach of calculating low-lying electronic states first and then attempting to extend the calculations to ever higher energy, here the analysis proceeds through the extension of these detailed calculations of the electronic continuum scattering down into the discrete region of the spectrum. The continuum reaction matrices and dipole transition moments are adapted to the discrete Rydberg region via the use of an energy-modified formulation of MQDT theory and associated energy dependences of the quantum defects. The analysis reproduces more than 40 Rydberg states from n ≈ 10 down to the 3 d and 4 s levels with an rms error of better than 20 cm −1 . Further, these belong to five Rydberg series with three different molecular symmetries. While the approach predicts many additional series, most of these are calculated and observed to carry only little oscillator strength. The analysis shows that the Rydberg spectrum is dominated by the excitation of an e″ symmetry electron of fδ and gπ type, in line with what previous studies of the above-threshold shape resonance of 2-butyne have shown. The present study is intended to serve as an example showing how first principles continuum calculations may be useful for the interpretation of highly bound discrete states in a range that poses problems for the standard ab initio techniques. The quantitative treatment of the dipole absorption cross sections is deferred to a future paper.