Shape Of Spectrum Research Articles

Development of a GIS-Based Predicted-VS30 Map of Türkiye Using Geological and Topographical Parameters: Case Study for the Region Affected by the 6 February 2023 Kahramanmaraş Earthquakes

Abstract The time-averaged shear-wave velocity in the upper 30 m of a site (VS30) is virtually essential in characterizing local soil conditions for multiple purposes, including estimation of site effects, anticipated ground-motion levels, seismic hazards, and the shape of design spectra. Considering the significance of this proxy and that a number of the Disaster and Emergency Management Presidency of Türkiye (AFAD) strong ground-motion stations across Türkiye lack assigned VS30 values, a comprehensive study was performed herein to develop empirical equations for estimating VS30 values in Türkiye based on relationships between 432 VS30 measurements at the AFAD stations, geologic units, and topographic data. Initially, units in the geological digital maps were reclassified into four geological periods. Statistical relationships between geological period classes and VS30 samples were interpreted to determine the VS30 boundaries for each period class. Second, VS30 estimations with topographic parameters by utilizing a 2D trend surface analysis method were performed. The resultant two-parameter polynomial coefficients were associated with VS30 according to the least squares principle, leading to the development of topographic functions for VS30 estimation under each geological period class (R2=0.601). Thereby, digital VS30 estimation maps were produced in grid (90 m) format that may be queried in a Geographic Information Systems environment. Moreover, the quantile regression method was also utilized to determine the coefficients of the envelope curve corresponding to a given exceedance probability (p) for the worst case scenario. Finally, to evaluate the accuracy of the proposed equations, the verifications performed with the VS30 data at the selected AFAD stations in the region affected by the 6 February 2003 earthquakes have also presented successful outcomes. Considering the availability of VS30 maps derived from digital elevation data in the literature, this study offers novel equations that take into account geological units and provide crucial background data for the regional seismic hazard-based risk assessments in Türkiye, especially for site effect studies using VS30 as a regional site classification parameter.

Photoionization of the Propargyl Radical Using the R-Matrix Method.

The absolute photoionization cross section of the propargyl radical measured by Savee et al. [J. Chem. Phys. 2012, 136, 134307] is about 2-3 times larger than the experimental result from Robinson et al. [J. Chem. Phys. 2003, 119, 5311]. Meanwhile, there is a significant discrepancy in the shapes of the propargyl photoionization spectra between these two measurements and the result measured by Zhang et al. [J. Chem. Phys. 2006, 124, 074302]. To estimate the accuracy of the various results, we carried out comprehensive calculations with the multichannel R-matrix method, which uses multiconfigurational wave functions to generate accurate initial and final states. Three scattering models including static-exchange, correlated 1 state, and 80 state close-coupling (CC) approximations are employed to reveal the dynamic interaction. The autoionization peaks near the ionization threshold are predicted for the first time. Two resonances are detected with the photon energy around 41.4 and 49.6 eV in the 80 state CC model. We checked the sensitivity of the results to change descriptions of the active spaces, the different partial waves, and the R-matrix radii in the theoretical model. Our best results are compared with the experimental measurements, and discussions are provided. The cross sections and asymmetry parameters for the valence orbitals are reported for photon energies from ionization thresholds of 70 eV.

Ferromagnetic resonance spectra of linear magnetosome chains.

The ferromagnetic resonance (FMR) spectra of oriented and non-oriented assemblies of linear magnetosome chains are calculated by solving the stochastic Landau-Lifshitz equation. The dependence of the shape of the FMR spectrum of a dilute assembly of chains on the particle diameter, the number of particles in a chain, the distance between the centers of neighboring particles, the mutual orientation of the cubic axes of particle anisotropy, and the value of the magnetic damping constant is studied. It is shown that FMR spectra of non-oriented chain assemblies depend on the average particle diameter at a fixed thickness of the lipid magnetosome membrane, as well as on the value of the magnetic damping constant. At the same time, they are practically independent of the number Np of particles in the chain under the condition Np ≥ 10. The FMR spectra of non-oriented assemblies of magnetosome chains are compared with that of random clusters of interacting spherical magnetite nanoparticles. The shape of FMR spectra of both assemblies is shown to differ appreciably even at sufficiently large values of filling density of random clusters.

Выбор формы временной зависимости ускоряющего напряжения для моделирования спектральных характеристик гиротрона мегаваттного уровня мощности

The spectral characteristics of the gyrotron with a megawatt power level in the 170 GHz range were modeled numerically. The calculations were carried out using the large particle method implemented in the KARAT code. The problem of three-dimensional modeling of the excitation of an asymmetric type mode was reduced to a 2.5-dimensional one. For this model, the presence of high-frequency fluctuations at the output of high-voltage power supplies, which determine the initial energy of electrons, was taken into account. The relationship between the shape and width of the radiation spectrum of the simulated gyrotron and the time dependence of the accelerating voltage has been studied. It is shown that the best agreement with experimental data is obtained by combining a relatively slow sawtooth change in particle energy with fast random fluctuations.

First measurements with a new β-electron detector for spectral shape studies

The shape of the electron spectrum emitted in β decay carries a wealth of information about nuclear structure and fundamental physics. In spite of that, few dedicated measurements have been made of β-spectrum shapes. In this work we present a newly developed detector for β electrons based on a telescope concept. A thick plastic scintillator is employed in coincidence with a thin silicon detector. The first measurements employing this detector have been carried out with mono-energetic electrons from the high-energy resolution electron-beam spectrometer at Bordeaux. Here we report on the good reproduction of the experimental spectra of mono-energetic electrons using Monte Carlo simulations. This is a crucial step for future experiments, where a detailed Monte Carlo characterization of the detector is needed to determine the shape of the β-electron spectra by deconvolution of the measured spectra with the response function of the detector. A chamber to contain two telescope assemblies has been designed for future β-decay experiments at the Ion Guide Isotope Separator On-Line facility in Jyväskylä, aimed at improving our understanding of reactor antineutrino spectra.

Numerical Investigation of Stress-Strain State Effects on Strain Measurements with Fiber Bragg Grating Sensors

This study investigates the behaviour of resonant wavelengths of Fiber Bragg Gratings (FBG) inscribed within optically isotropic fibers under transverse loading, both in free and embedded conditions. A numerical-analytical approach is employed, utilizing the finite element method to calculate strain tensor components in the optical fiber core, followed by an analytical determination of resonant wavelengths and reflected FBG spectrum shape. The research demonstrates the influence of the ratio of host material and optical fiber elastic moduli on the birefringence level in FBG area under transversal loading. Based on analytical model of FBG spectrum simulation the discrepancy between analytically calculated and experimentally recorded resonant wavelength shifts in FBG embedded within isotropic material under varying transverse load levels is demonstrated.

"Metabolight": how light spectra shape plant growth, development and metabolism.

Innovations in light technologies (i.e. Light Emitting Diodes; LED) and cover films with specific optical features (e.g. photo-selective, light-extracting) have revolutionized crop production in both protected environments and open fields. The possibility to modulate the light spectra, thereby enriching/depleting cultivated plants with targeted wavebands has attracted increasing interest from both basic and applicative research. Indeed, the light environment not only influences plant biomass production but is also a pivotal factor in shaping plant size, development and metabolism. In the last decade, the strict interdependence between specific wavebands and the accumulation of targeted secondary metabolites has been exploited to improve the quality of horticultural products. Innovation in LED lighting has also marked the improvement of streetlamp illumination, thereby posing new questions about the possible influence of light pollution on urban tree metabolism. In this case, it is urgent and challenging to propose new, less-impacting solutions by modulating streetlamp spectra in order to preserve the ecosystem services provided by urban trees. The present review critically summarizes the main recent findings related to the morpho-anatomical, physiological, and biochemical changes induced by light spectra management via different techniques in crops as well as in non-cultivated species. This review explores the following topics: (1) plant growth in monochromatic environments, (2) the use of greenhouse light supplementation, (3) the application of covering films with different properties, and (4) the drawbacks of streetlamp illumination on urban trees. Additionally, it proposes new perspectives offered by in planta photomodulation.

Bosonic excitation spectra of superconducting Bi2Sr2CaCu2O8+δ and YBa2Cu3O6+x extracted from scanning tunneling spectra

A detailed interpretation of scanning tunneling spectra obtained on unconventional superconductors enables one to gain information on the pairing boson. Decisive for this approach are inelastic tunneling events. Due to the lack of momentum conservation in tunneling from or to the sharp tip, those are enhanced in the geometry of a scanning tunneling microscope compared to planar tunnel junctions. This work extends the method of obtaining the bosonic excitation spectrum by deconvolution from tunneling spectra to nodal d-wave superconductors. In particular, scanning tunneling spectra of slightly underdoped Bi2Sr2CaCu2O8+δ with a Tc of 82 K and optimally doped YBa2Cu3O6+x with a Tc of 92 K reveal a resonance mode in their bosonic excitation spectrum at Ωres≈63 meV and Ωres≈61 meV respectively. In both cases, the overall shape of the bosonic excitation spectrum is indicative of predominant spin scattering with a resonant mode at Ωres<2Δ and overdamped spin fluctuations for energies larger than 2Δ. To perform the deconvolution of the experimental data, we implemented an efficient iterative algorithm that significantly enhances the reliability of our analysis.

Effects of important characteristics of earthquake ground motions on probabilistic seismic demand assessment of long-span cable-stayed bridges

The uncertainties of earthquake ground motions have the most important effects on seismic responses of bridge structures, especially long-span bridges, because of complex and special dynamic properties. The nonlinear dynamic time-history analysis is conducted for a two-pylon long-span cable-stayed highway bridge by using real earthquake ground motions rationally selected. The correlation between the important characteristics of earthquake ground motions and the probabilistic seismic demand assessment of the cable-stayed bridge reveals that the geometric means and dispersions of response spectra from selected ground motions have very significant effects on mean values, dispersions and probabilistic distributions of seismic demands of long-span bridges. The spectral shape of geometric mean spectra in the period ranges with large cumulative modal mass participation factors that should be well matched to the target spectrum to improve the precision and computational efficiency of probabilistic seismic demand assessment. If earthquake ground motions are rationally selected, response spectral values at the periods with comparatively large modal participation mass ratios or PGA can be used as intensity measures and even provide more precise probabilistic seismic demand assessment than response spectral values at the fundamental periods.

Intense O + E + S-band emission from Pr3+-doped ZnF2-based glasses

Pr3+-doped ZnF2-based glasses were prepared by using a melt-quenching method in dry N2 atmosphere. Under the excitation of a 588 nm light emitting diode (LED), ultrabroadband emissions ranging from 1245 to 1640 nm were obtained from the Pr3+-doped ZnF2-based glasses, which originate from the transitions 1D2→1G4 (producing E + S-band emission) and 1G4→3H5 (producing O-band emission) of Pr3+. The shape of the emission spectra could be tailored by varying the concentration of Pr3+. Emission spectra with the maximum full width at half maximum (FWHM) of 215 nm (1289 nm-1504 nm, covering the O + E + S-band) was obtained in the ZnF2-based glass at a doping concentration of 5000 ppm. The effects of the phonon energy of the matrix on O + E + S-band emission were also investigated. Our results showed that Pr3+-doped ZnF2-based glasses with low phonon energy might be used for constructing O + E + S-band lasers and optical amplifiers.

Raman scattering excitation in monolayers of semiconducting transition metal dichalcogenides

Raman scattering excitation (RSE) is an experimental technique in which the spectrum is made up by sweeping the excitation energy when the detection energy is fixed. We study the low-temperature (T = 5 K) RSE spectra measured on four high quality monolayers (ML) of semiconducting transition metal dichalcogenides (S-TMDs), i.e. MoS2, MoSe2, WS2, and WSe2, encapsulated in hexagonal BN. The outgoing resonant conditions of Raman scattering reveal an extraordinary intensity enhancement of the phonon modes, which results in extremely rich RSE spectra. The obtained spectra are composed not only of Raman-active peaks, i.e. in-plane E′\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$${}^{{\\prime} }$$\\end{document} and out-of-plane A1′\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$${}_{1}^{{\\prime} }$$\\end{document}, but the appearance of 1st, 2nd, and higher-order phonon modes is recognized. The intensity profiles of the A1′\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$${}_{1}^{{\\prime} }$$\\end{document} modes in the investigated MLs resemble the emissions due to neutral excitons measured in the corresponding PL spectra for the outgoing type of resonant Raman scattering conditions. Furthermore, for the WSe2 ML, the A1′\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$${}_{1}^{{\\prime} }$$\\end{document} mode was observed when the incoming light was in resonance with the neutral exciton line. The strength of the exciton-phonon coupling (EPC) in S-TMD MLs strongly depends on the type of their ground excitonic state, i.e. bright or dark, resulting in different shapes of the RSE spectra. Our results demonstrate that RSE spectroscopy is a powerful technique for studying EPC in S-TMD MLs.

Differentiation of solvatomorphs of active pharmaceutical ingredients (API) by solid-state vibrational circular dichroism (VCD)

Here, we present the new application of solid-state Vibrational Circular Dichroism (VCD) spectroscopy to differentiate several dutasteride (DS) solvatomorphs – the model active pharmaceutical ingredient (API). Several crystalline DS hydrochloride hydrates solvated with methanol, ethanol, acetonitrile, acetone, and acetic acid were prepared. In contrast to almost identical IR spectra, the VCD ones were very sensitive to changes in the sample composition. We marked significant differences in the shape of VCD spectra of studied DS solvatomorphs, DS hydrates, and DS polymorphic forms. Our findings, supported by DFT calculations, show that VCD spectroscopy has the pronounced ability to distinguish their crystal arrangements. We believe that this contribution will extend the use of VCD in the pharmaceutical industry for developing and designing new chiral drug products for the identification, description, and in-depth probing of several pharmaceutical solvatomorphs in the future.

The influence of molecular shape on reorientation dynamics of sizable glass-forming isomers at ambient and elevated pressure

We used dielectric spectroscopy to access the molecular dynamics of three isomers with a structure based on a sizable, partially rigid, and non-polar core connected to a polar phenylene unit differing in the position of the polar group, and, consequently, the direction and magnitude of the dipole moment to address the question how unique molecular properties, in particular large size and elongated shape, affect the dynamics. The position of the polar group differentiates the molecular shape and isomer’s anisotropy and leads to different thermal and dynamic properties of the isomers. The shape of permittivity loss spectra was governed by magnitudes of the longitudinal and transverse components of dipole moment to a large extent. For para isomer with negligible traverse component of dipole moment, the narrowest loss peak was found while for meta isomer, the bimodal loss peak was observed at high temperatures. Its shape evolved on cooling limiting the possibility of individual mode separation near glass transition where the dynamics were more cooperative. High-pressure dielectric studies showed that sizable isomers were characterized by the pronounced sensitivity of glass transition temperature, Tg, to compression. Observed high activation volumes, such as 735 cm3/mol at Tg for para isomer, were found to correlate with the length scale of dynamic cooperativity. The number of dynamically correlated molecules depended on molecular shape and varied among isomers while the determined values were much smaller than that reported for other glass-forming liquids. We discussed here the obtained results in the context of the specific properties of the systems studied showing the overriding role of anisotropy.

On the origin of time-aging-time superposition.

Time-aging-time superposition and the concept of single-parameter aging refer to the experimentally verified scenario in which the relaxation profile is shifted as a whole along the logarithmic time or frequency scale during physical aging, i.e., without changing the shape of the susceptibility spectrum or decay function. This homogeneous aspect of aging and structural recovery appears to contrast the heterogeneous nature of structural relaxation in equilibrium. A picture is proposed in which both structural recovery and relaxation are heterogeneous, but lacking a local correlation of time constants. This scenario is consistent with time-aging-time superposition and single-parameter aging, as well as with recovery and relaxation processes being subject to practically the same time constant dispersion.

Event-induced modulation of aperiodic background EEG: Attention-dependent and age-related shifts in E:I balance, and their consequences for behavior

Abstract The broadband shape of the EEG spectrum, summarized using the slope of a 1/fx function, is thought to reflect the balance between excitation and inhibition in cortical regions (E:I balance). This balance is an important characteristic of neural circuits and could inform studies of aging, as older adults show a relative deficit in inhibitory activity. Thus far, no studies have leveraged the event-related temporal dynamics of 1/fx activity to better understand the phases of information processing, especially in the context of aging. Here, for the first time, we examined variations of this activity during the foreperiod of a cued flanker task in younger (YA) and older adults (OA), with picture cues varying in task relevance, relative novelty, and valence. We report a biphasic change in the spectral slope after cue presentation, independent of cue-elicited event-related potentials (ERPs), with an initial period of steeper slope (indicating cortical inhibition, similar in YA and OA) followed by a flattening (indicating cortical excitation, especially in OA). The reduction in slope steepness was associated with lower performance and greater congruency costs in the flanker task. Finally, more novel cues reduced the shift towards excitation in OA, partly restoring their E:I balance, and diminishing congruency costs. These findings demonstrate that the broadband shape of the EEG spectrum varies dynamically in a manner that is predictive of subsequent behavior. They also expand our understanding of how neural communication shapes cognition in YA and OA and has implications for neuroscientific models of cognitive processing and age-related cognitive decline.

Annoyance penalty due to the spectrum shape of wideband noise

Environmental noise exposure is usually evaluated by measuring the A-weighted equivalent sound pressure level, LAeq [dB]. However, it cannot alone explain the resulting noise annoyance. It is common to apply penalties, such as +5 dB correction, to measured LAeq when the noise contains annoyance accentuating features, such as tonality or impulsiveness. Although previous studies suggest that the noise spectrum also influences annoyance, and spectrum is easy measure, the need of penalty due to spectral shape of noise has not been studied. Our study investigated the relationship between spectral shape and annoyance. The purpose was to determine whether spectrum-related penalties should be integrated with measured LAeq values. We conducted a psychoacoustic laboratory experiment involving 40 participants. We collected their annoyance ratings for 23 spectrally different steady-state wideband noises presented at three LAeq levels, 32, 40, and 48 dB. In addition, annoyance ratings were collected for a spectrally neutral reference noise played within 28–60 dB in 4 dB steps to enable the determination of penalty. The annoyance strongly depended on the spectrum of noise, for all three LAeq levels. Higher concentrations of sound energy in high frequencies were associated with increased annoyance ratings across all three LAeq levels. The penalty values of spectrally modified noises varied within −2 to +12 dB. The penalty values exhibited minimal dependence on LAeq. That is, the same spectrum-related penalties were valid at least within 32–48 dB. Our findings suggest that noise spectrum also deserves a penalty procedure to better explain human perception of noise.

One- and two-photon absorption spectra of organoboron complexes: vibronic and environmental effects.

We synthesized a series of four parent aza-β-ketoiminate organoboron complexes and performed spectroscopic studies using both experimental and computational techniques. We studied how benzannulation influences the vibronic structure of the UV/Vis absorption bands with a focus on the bright lowest-energy π → π* electronic excitation. Theoretical simulations, accounting for inhomogeneous broadening effects using different embedding schemes, allowed gaining in-depth insights into the observed differences in band shapes induced by structural modifications. We observed huge variations in the distributions of vibronic transitions depending on the position of benzannulation. By and large, the harmonic approximation combined with the adiabatic hessian model delivers qualitatively correct band shapes for the one-photon absorption spectra, except in one case. We also assessed the importance of non-Condon effects (accounted for by the linear term in Herzberg-Teller expansion of the dipole moment) for S0 → S1 band shapes. It turned out that non-Condon contributions have no effect on the band shape in one-photon absorption spectra. In contrast, these effects significantly change the Franck-Condon band shapes of the two-photon absorption spectra. For one of the studied organoboron complexes we also performed a preliminary exploration of mechanical anharmonicity, resulting in an increase of the intensity of the 0-0 transition, which improves the agreement with the experimental data compared to the harmonic model.

Characterizing Radiation‐Belt Energetic Electron Precipitation Spectra: A Comparison of Quasi‐Linear Diffusion Theory With In Situ Measurements

AbstractHigh energy electron precipitation from the Earth's radiation belts is important for loss from the radiation belts and atmospheric chemistry. We follow up investigations presented in Reidy et al. (2021, https://doi.org/10.1029/2020ja028410) where precipitating flux is calculated inside the field of view of the POES T0 detector using quasi‐linear theory and pitch angle diffusion coefficients (Dαα) from the British Antarctic Survey (BAS). These results showed good agreements at &gt;30 keV for L* &gt;5 on the dawnside but the flux were too low at higher energies. We have investigated the effect of changing parameters in the calculation of the precipitating flux to improve the results for the higher energies using comparisons of in situ flux and cold plasma measurements from GOES‐15 and RBSP. We find that the strength of the diffusion coefficients rather than the shape of the source spectrum has the biggest effect on the calculated precipitation. In particular we find decreasing the cold plasma density used in the calculation of Dαα increases the diffusion and hence the precipitation at the loss cone for the higher energies, improving our results. The method of calculating Dαα is also examined, comparing co‐located rather than averaged RBSP measurements. We find that the method itself has minimal effect but using RBSP derived Dαα improved our results over using Dαα calculated using the entire BAS wave data base; this is potentially due to better measurements of the cold plasma density from RBSP than the other spacecraft included in the BAS wave data base (e.g., THEMIS).

Influence of frequency effect on the Condon shape of electron-vibrational absorption spectrum in the single oscillator model

Influence of frequency effect on the Condon shape of electron-vibrational absorption spectrum in the single oscillator model

Unravelling the complex speciation of halozincate ionic liquids using X-ray spectroscopies and calculations.

Using a combination of liquid-phase X-ray spectroscopy experiments and small-scale calculations we have gained new insights into the speciation of halozincate anions in ionic liquids (ILs). Both core and valence X-ray photoelectron spectroscopy (XPS) experiments were performed directly on the liquid-phase ILs, supplemented by Zn 1s X-ray absorption near edge structure (XANES) spectroscopy. Density functional theory (DFT) calculations were carried out on both 1- and 2- halozincate anions, in both a generalised solvation model SMD (Solvation Model based on Density) and the gas phase, to give XP spectra and total energy differences; time-dependent DFT was used to calculate XANES spectra. Speciation judgements were made using a combination of the shape and width of the experimental spectra, and visual matches to the calculated spectra. For 2- halozincate anions, excellent matches were found between the experimental and calculated XP spectra, clearly showing that only 2- halozincate anions were present at all zinc halide mole fractions, x, studied. At specific values of x (0.33, 0.50, 0.60) only one halozincate anion was present; equilibria of different halozincate anions at those values of x were not observed. All findings show that chlorozincate anion and bromozincate anion speciation matched at the same x. Based on the results, predictions are made of the halozincate anion speciation for all values of x up to 0.67. Caution is advised when using differences in calculated total energies obtained from DFT to judge halozincate anion speciation, even when the SMD was employed, as predictions based on total energy differences did not always match the findings from the experimental and calculated spectra. Our findings clearly establish that the combination of high-quality experimental data from multiple spectroscopies and a wide range of calculated structures are essential to have high confidence in halozincate anion speciation identification.