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Exploring very-large-scale motions (VLSMs) in open channel flows (OCFs) is crucial for comprehensively understanding material transport and energy exchange. While previous studies focused on OCFs in ideal flumes with simple boundaries, this paper presents large eddy simulation (LES) results on the existence and scale characteristics of VLSMs in complex river morphologies with the Minjiang River in southwestern China as a case study. This research demonstrates that the OpenFOAM-based LES model is capable of accurately reconstructing the time-averaged flow field and providing instantaneous velocity data that capture VLSMs with sufficient resolution. Spectrum analysis of the streamwise fluctuating velocity shows that VLSMs are present in the straight segment of the river, with streamwise wavelengths approximately (16–22) times the water depth but are absent in the bend and confluence segments due to the suppression by secondary currents. This article validates the effectiveness of LES in examining the characteristics of VLSMs in natural rivers, thereby laying a good foundation for further studies on the impacts of such structures on sediment transport and pollutant dispersion. [ABSTRACT FROM AUTHOR]

The Mg-42Zn-7Y alloy, which contains an icosahedral quasicrystalline phase, was prepared using a conventional solidification process. The fracture toughness of this quasicrystalline phase in the Mg-42Zn-7Y alloy was nondestructively detected using in situ tensile and indentation techniques. The alloy exhibited a tensile strength of 99.17 MPa and an elongation of 3.9%. Microscopic observation and energy spectrum analysis confirmed the high-contrast lamellar structure as the quasicrystalline phase. Ultimately, under cyclic loading during indentation, the fracture toughness of the quasicrystalline phase was determined to be 35.08 MPa m0.5. The findings of the present study provided an effective basis for the determination of the fracture toughness of the quasicrystalline phase. [ABSTRACT FROM AUTHOR]

Time-of-flight secondary ion mass spectrometry (ToF-SIMS) is a powerful surface analysis tool, which can simultaneously provide elemental, isotopic, and molecular information with part per million (ppm) sensitivity. However, each spectrum may be composed of hundreds of ion signals, which makes the spectra data complex. Principal component analysis (PCA) is a multivariate analysis technique that has been widely used to figure out the variances among samples in ToF-SIMS spectra data analysis and is showing great success in the explanation of complex ToF-SIMS spectra. So far, several software tools have been developed for PCA of ToF-SIMS spectra; however, none of them are freely available. Such a situation leads to some difficulties in extending applications of PCA to various research fields. More importantly, it has long been challenging for common researchers to understand PCA plots and extract chemical differences among samples. In this work, we developed a new and flexible software tool (named "advanced spectra pca toolbox") based on python for PCA of complex ToF-SIMS spectra along with an easy-to-read manual. It can generate data analysis reports automatically to explain chemical differences among samples, allowing less experienced researchers to easily understand tricky PCA results. Moreover, it is expandable and compatible with artificial intelligence/machine learning functions. Pure goethite and different lignin adsorbed goethite samples were used as a model system to demonstrate our new software tool, proving that our software tool can be readily used in complex spectra data processing. Our new software tool is open-source, convenient, flexible, and expandable. We expect this open-source tool will benefit the ToF-SIMS community. [ABSTRACT FROM AUTHOR]

To further improve the remaining useful life forecasting accuracy of fuel cells using classic deep learning models, a convolutional neural network combining bidirectional long and short-term memory networks (BiLSTM) and attention mechanism (AT) is optimized with the enhanced whale optimization algorithm (EWOA). Singular spectrum analysis preprocesses the attenuation data to eliminate noise and enhance its effective information; the CNN–BiLSTM model extracts spatiotemporal features and learns historical and future information; AT further explores the spatiotemporal correlation; and EWOA optimizes its hyperparameters to reduce human intervention error. Results demonstrate that, compared with long and short-term memory, CNN–LSTM, CNN–BiLSTM, CNN–BiLSTM–AT, and CNN–BiLSTM–AT optimized with other algorithms, the CNN–BiLSTM–AT model optimized with EWOA achieves lower root mean square error, mean absolute error, mean absolute percentage error, and relative errors of 0.1951%–0.2059%, 0.1267%–0.1538%, 0.0319%–0.0366%, and 0.026%–0.036%, respectively, with different training data. Importantly, the proposed model still maintains good prediction robustness with over 40% of the missing data. [ABSTRACT FROM AUTHOR]

During the opening and closing process of the contact, it will undergo repeated arc ablation and wear. After each ablation and wear, the composition, performance, and shape of the contact surface constantly change, leading to cracks, slag drop, melting, evaporation, and other phenomena on the contact surface, ultimately causing the contact to fail, resulting in the switch not being able to open and close normally. In order to study the failure mechanism of arc contacts caused by arc erosion after breaking short-circuit current, a pair of arc contacts for the cumulative breaking short circuit current test was selected as the research object. The metallographic, microscopic morphology, and energy spectrum analysis of the arc contacts were conducted, and the analysis results were compared with the new arc contacts to reveal the evolution and development process of arc contacts from cumulative arc erosion to failure during breaking. [ABSTRACT FROM AUTHOR]

Internal waves induced by an underwater self-propelled body expose its existence by changing the sea surface roughness. This study employs short-time Fourier transform to perform the time–frequency analysis on the internal wave signal captured in the experiments. Some key characteristics of the underwater self-propelled body are obtained through the spectrum analysis of the internal wave wake signal. Moreover, the influence of the interaction between the momentums induced by the propulsion and drag force is discussed. The results show that the action of the self-propelled body has varying degrees of influence on the symmetry and spatial distribution of the spectrum characteristics of the signal. [ABSTRACT FROM AUTHOR]

Due to the divergence characteristics of vortex microwaves, it is difficult to determine orbital angular momentum (OAM) orders through far fields, while the spiral spectrum analysis method based on the area integral of antenna near fields is complicated. In this paper, combined with near-field approximation processing, a spiral spectrum analysis method based on loop integration is proposed. According to the Laguerre–Gaussian vortex beam model, the key parameter estimation formulas suitable for low-order OAM microwave beams are derived, including the position of the reliable observation plane and the size of the annulus area. On this basis, the radius of the integral loop used for the spiral spectrum calculation is provided. Since only field data on the loop are collected in this method, the calculation amount is reduced and the analysis efficiency of the spiral spectrum is greatly improved. Due to the combination of near-field and far-field considerations, this method can fully reflect the spiral spectrum characteristics of antenna vortex waves. [ABSTRACT FROM AUTHOR]

sessa (Simulation of Electron Spectra for Surface Analysis) is a software that was frequently used by the late Charles Fadley, since it provides a convenient means to simulate peak intensities as well as entire spectral regions for photoelectron spectroscopy. X-ray photoelectron spectra can be simulated for several types of nanostructures. sessa can also be utilized in more complex cases, e.g., if the nondipolar terms in the photoelectric ionization cross section need to be taken into account, a typical situation encountered in spectroscopy using synchrotron radiation. The software was initially released in 2005 as a National Institute of Standards and Technology Standard Reference Database. Here, we describe two new features that have recently been added to the newest version (sessa V2.2) of the software, i.e., simulation of surface excitations and an effective approach to account for the energy dependence of the interaction characteristics of emitted photoelectrons. Furthermore, we illustrate some functionalities of sessa by presenting several applications. These include overlayer measurements to determine the effective electron attenuation length, quantitative analysis of impurities in multilayer materials, analysis of ionic liquids, the influence of nondipolar effects for photon energies above a few keV, and analysis of nanoparticles by means of photoelectron spectroscopy. [ABSTRACT FROM AUTHOR]

The tissue equivalent proportional counter (TEPC) is often used in the measurement of ionizing radiation. However, there are many factors that can cause the micro-dose spectrum's distortion and affect the accuracy of the measurement. In the TEPC design process, several factors can be analyzed through simulation methods. The simulation capabilities of the TEPC physical process are established and verified in this paper. The wall material, tissue equivalent gas, and electrode are selected as the main objects, and the corresponding design choices are given. The wall material has a great impact on the spectrum, and y ¯ F and y ¯ D show that A-150 plastic is closer to the human tissue in the TEPC physical process simulation. Both the two tissue equivalent gases have good simulation accuracy. After further analysis, propane-based equivalent gas is the better choice. Among the three electrode sizes, the size of 0.006 35 cm is the most suitable one for TEPC. The analysis results and analysis methods can provide references for the important elements design of TEPC. [ABSTRACT FROM AUTHOR]

We study the conductivity and magnetoresistance of the α‴ phase solid solution of (Cd1−xZnx)3As2 (x = 0.45). Single crystals of (Cd1−xZnx)3As2 are obtained by the modified Bridgman method. The space group and tetragonal lattice parameters of single crystals are found to be I41/amd and a = b = 8.56(5) Å, c = 24.16(6) Å. The temperature dependence of the conductivity and magnetoresistance is studied in the temperature range of 1.6–320 K and in the presence of a transverse magnetic field from 0 to 10 T. Mixed conductivity is analyzed using Hall resistivity data and standard quantitative mobility spectrum analysis. The concentration and mobility of holes are determined at different temperatures. The presence of two types of holes with different mobilities is demonstrated in the temperature range of 1.6–19 K, while with increasing temperature, just one type of charge carrier is observed in the mobility spectrum. [ABSTRACT FROM AUTHOR]

Two-point space–time correlation and Fourier spectrum analysis are applied to large-eddy simulation results of a compressible parallel jet flow at Reynolds number 2000 and Mach number 0.9. Flow properties including instantaneous vortical structures, flow intermittency, convection velocity of vortical structures, and pressure signals in the near flow-field are presented and discussed. The results show multi-scale features of vortical structures after flow transition. High intermittency is found to occur around the outer edges of the shear layer and the region surrounding the potential core, where the motion of vortices is vigorous. In order to analyze the motion of vortices, the convection velocity of vortical structures in the center plane of the jet is calculated by a designed solution procedure. The high convection velocity zone is shown to be a "V" shaped cap covering the potential core. The pressure fluctuation signals in the vortical flow are analyzed so as to study the effects of vortex motion. The signals show the feature of wave-packets and contain multiple dominant frequencies. The distribution of the dominant frequencies is characterized by a terrace shaped zone with stairs descending in both the streamwise and lateral directions. In addition, the phase velocity of the pressure signals shown by the frequency–wavenumber diagram unveils that the pressure fluctuations travel at a stable phase velocity along the lip-line of the jet, while the component with a supersonic phase velocity is salient in the downstream of the flow transition region outside the shear layer. [ABSTRACT FROM AUTHOR]

The scanning tunneling microscope (STM) has enabled manipulation and interrogation of surfaces with atomic-scale resolution. Electronic information about a surface is obtained by combining the imaging capability of the STM with scanning tunneling spectroscopy, i.e., measurement of current-voltage (I/V) characteristics of the surface. We propose a change in the STM feedback loop that enables capturing a higher quality dI/dV image. A high frequency dither voltage is added to the bias voltage of the sample, and the fundamental frequency component of the resulting current is demodulated. The in-phase component of this signal is then plotted along with the X and Y position data, constructing the dI/dV image. We show that by incorporating notch filters in the STM feedback loop, we may utilize a high-amplitude dither voltage to significantly improve the quality of the obtained dI/dV image. [ABSTRACT FROM AUTHOR]

A simple model for the stochastic evolution of defects in a material under irradiation is presented. Using the master-equation formalism, we derive an expression for the average number of defects in terms of the power flux and the exposure time. The model reproduces the qualitative behavior of self-healing due to defect recombination, reaching a steady-state concentration of defects that depends on the power flux of the incident radiation and the material temperature, while also suggesting a particular time scale on which the incident energy is most efficient for producing defects, in good agreement with experimental results. Given this model, we discuss the integral damage factor, a descriptor that combines the power flux and the square of the irradiation time. In recent years, the scientific community involved in plasma-facing materials for nuclear fusion reactors has used this parameter to measure the equivalent material damage produced in experiments of various types with different types of radiation and wide ranges of power flux and irradiation time. The integral damage factor is useful in practice but lacks formal theoretical justification. In this simple model, we find that it is directly proportional to the maximum concentration of defects. [ABSTRACT FROM AUTHOR]

We present particle-in-cell (PIC) simulations of laser plasma instabilities (LPIs) with a laser pulse duration of a few picoseconds. The simulation parameters are appropriate to the planar-target LPI experimental conditions on SG-II. In this regime, the plasmas are characterized by a long electron density scale length and a large electron density range. It is found that when the incident laser intensity is well above its backward stimulated Raman scattering (backward SRS, BSRS) threshold, the backscattered light via the primary BSRS is intense enough to excite secondary SRS (Re-SRS) in the region below one-ninth of the critical density of the incident laser. The daughter light wave via the secondary BSRS (Re-BSRS) is amplified as it propagates toward the higher-density region in the bath of broadband light generated through the primary BSRS process. A higher intensity of the incident laser not only increases the amplitude of the BSRS light but also increases the convective amplification lengths of the Re-BSRS modes by broadening the spectrum of the BSRS light. Convective amplification of Re-BSRS causes pump depletion of the primary BSRS light and may lead to an underestimate of the primary BSRS level in SP-LPI experiments. A significant fraction of the generation of energetic electrons is strongly correlated with the Re-BSRS modes and should be considered as a significant energy loss. [ABSTRACT FROM AUTHOR]

The P3 installation of ELI-Beamlines is conceived as an experimental platform for multiple high-repetition-rate laser beams spanning time scales from femtosecond via picosecond to nanosecond. The upcoming L4n laser beamline will provide shaped nanosecond pulses of up to 1.9 kJ at a maximum repetition rate of 1 shot/min. This beamline will provide unique possibilities for high-pressure, high-energy-density physics, warm dense matter, and laser–plasma interaction experiments. Owing to the high repetition rate, it will become possible to obtain considerable improvements in data statistics, in particular, for equation-of-state data sets. The nanosecond beam will be coupled with short sub-picosecond pulses, providing high-resolution diagnostic tools by either irradiating a backlighter target or driving a betatron setup to generate energetic electrons and hard X-rays. [ABSTRACT FROM AUTHOR]

X-ray absorption spectroscopy is a well-accepted diagnostic for experimental studies of warm dense matter. It requires a short-lived X-ray source of sufficiently high emissivity and without characteristic lines in the spectral range of interest. In the present work, we discuss how to choose an optimum material and thickness to get a bright source in the wavelength range 2 Å–6 Å (∼2 keV to 6 keV) by considering relatively low-Z elements. We demonstrate that the highest emissivity of solid aluminum and silicon foil targets irradiated with a 1-ps high-contrast sub-kJ laser pulse is achieved when the target thickness is close to 10 µm. An outer plastic layer can increase the emissivity even further. [ABSTRACT FROM AUTHOR]

Diffusing wave spectroscopy (DWS) is a well-known set of methods to measure the temporal dynamics of dynamic samples. In DWS, dynamic samples scatter the incident coherent light, and the information of the temporal dynamics is encoded in the scattered light. To record and analyze the light signal, there exist two types of methods—temporal sampling methods and speckle ensemble methods. Temporal sampling methods, including diffuse correlation spectroscopy, use one or multiple large bandwidth detectors to sample well and analyze the temporal light signal to infer the sample temporal dynamics. Speckle ensemble methods, including speckle visibility spectroscopy, use a high-pixel-count camera sensor to capture a speckle pattern and use the speckle contrast to infer sample temporal dynamics. In this paper, we theoretically and experimentally demonstrate that the decorrelation time (τ) measurement accuracy or signal-to-noise ratio (SNR) of the two types of methods has a unified and similar fundamental expression based on the number of independent observables (NIO) and the photon flux. Given a time measurement duration, the NIO in temporal sampling methods is constrained by the measurement duration, while speckle ensemble methods can outperform by using simultaneous sampling channels to scale up the NIO significantly. In the case of optical brain monitoring, the interplay of these factors favors speckle ensemble methods. We illustrate that this important engineering consideration is consistent with the previous research on blood pulsatile flow measurements, where a speckle ensemble method operating at 100-fold lower photon flux than a conventional temporal sampling system can achieve a comparable SNR. [ABSTRACT FROM AUTHOR]

We report on ultrafast all-optical switching experiments performed on pillar microcavities containing a collection of quantum dots (QDs). Using QDs as a broadband internal light source and a detection setup based on a streak camera, we track in parallel the frequencies of a large set (>10) of resonant modes of an isolated micropillar during the entire duration of switching events and with a 2 ps temporal resolution. Being much faster and more convenient than standard approaches based on pump–probe spectroscopy, this method is very well suited for in-depth studies of cavity switching, noticeably in view of applications in the field of quantum photonics. We report as a first demonstrative example an investigation of the switch-on time constant τon dependence as a function of the pump power and the observation of a remarkably low value of τon(≈1.5 ps) for optimized pumping conditions. As a second illustration, we report the observation of a transient lifting of the degeneracy of a polarization-degenerate cavity mode, induced by a non-centrosymmetric injection of free carriers. [ABSTRACT FROM AUTHOR]

Infrared light scattering methods have been developed and employed to non-invasively monitor human cerebral blood flow (CBF). However, the number of reflected photons that interact with the brain is low when detecting blood flow in deep tissue. To tackle this photon-starved problem, we present and demonstrate the idea of interferometric speckle visibility spectroscopy (ISVS). In ISVS, an interferometric detection scheme is used to boost the weak signal light. The blood flow dynamics are inferred from the speckle statistics of a single frame speckle pattern. We experimentally demonstrated the improvement in the measurement of fidelity by introducing interferometric detection when the signal photon number is low. We apply the ISVS system to monitor the human CBF in situations where the light intensity is ∼100-fold less than that in common diffuse correlation spectroscopy (DCS) implementations. Due to the large number of pixels (∼2 × 105) used to capture light in the ISVS system, we are able to collect a similar number of photons within one exposure time as in normal DCS implementations. Our system operates at a sampling rate of 100 Hz. At the exposure time of 2 ms, the average signal photoelectron number is ∼0.95 count/pixel, yielding a single pixel interferometric measurement signal-to-noise ratio (SNR) of ∼0.97. The total ∼2 × 105 pixels provide an expected overall SNR of 436. We successfully demonstrate that the ISVS system is able to monitor the human brain pulsatile blood flow, as well as the blood flow change when a human subject is doing a breath-holding task. [ABSTRACT FROM AUTHOR]

A detailed understanding of the complex rotation–vibration spectrum of the water molecule is vital for many areas of scientific and human activity, and thus, it is well studied in a number of spectral regions. To enhance our perception of the spectrum of the parent water isotopologue, H 2 16 O, a dataset of 270 745 non-redundant measured transitions is assembled, analyzed, and validated, yielding 19 204 rovibrational energy levels with statistically reliable uncertainties. The present study extends considerably an analysis of the rovibrational spectrum of H 2 16 O, published in 2013, by employing an improved methodology, considering about one-third more new observations (often with greatly decreased uncertainties), and using a highly accurate first-principles energy list for validation purposes. The database of experimental rovibrational transitions and empirical energy levels of H 2 16 O created during this study is called W2020. Some of the new transitions in W2020 allow the improved treatment of many parts of the dataset, especially considering the uncertainties of the experimental line positions and the empirical energy values. The W2020 dataset is examined to assess where measurements are still lacking even for this most thoroughly studied isotopologue of water, and to provide definitive energies for the lower and upper states of many yet-to-be-measured transitions. The W2020 dataset allows the evaluation of several previous compilations of spectroscopic data of water and the accuracy of previous effective Hamiltonian fits. [ABSTRACT FROM AUTHOR]

The effective attenuation length (EAL) is a useful parameter in quantitative applications of x-ray photoelectron spectroscopy (XPS). This parameter is used in place of the inelastic mean free path (IMFP) in expressions for different XPS applications to correct those expressions for elastic scattering of the photoelectrons. We consider expressions used to determine (i) the thickness of an overlayer film on a planar substrate, (ii) the surface composition, (iii) the depth of a thin marker or delta layer, and (iv) the shell thickness of a core–shell nanoparticle. An EAL can be used for each of these applications. In general, the EAL depends on the particular defining equation as well as on the XPS configuration. Many attempts were made in the 1970s and 1980s to measure EALs for the determination of overlayer-film thicknesses, but there were often wide scatters in the reported results due to the difficulty in preparing uniform films with known thicknesses. We have therefore been motivated to calculate EALs for each application. The SRD 82 database from the National Institute of Standards and Technology (NIST) provides EALs for the measurement of overlayer-film thicknesses and of marker-layer depths. These EALs can be determined for photoelectron energies between 50 eV and 2 keV and for user-specified XPS configurations. We review EAL predictive equations for the determination of overlayer-film thicknesses on a planar substrate for XPS with unpolarized x rays and with linearly polarized x rays as well as an EAL predictive equation for quantitative analysis by XPS. These equations are simple analytical expressions that are valid for well-defined ranges of experimental conditions and for useful ranges of electron energies. We also point out that EALs for the determination of overlayer-film thicknesses can be derived from the simulated photoelectron intensities obtained from the NIST Database for the Simulation of Electron Spectra for Surface Analysis (SRD 100). Where possible, we make comparisons of the calculated EALs with illustrative experimental results. A key parameter in the EAL predictive equations is the so-called albedo, a useful measure of the strength of elastic-scattering effects in a material. The albedo is a simple function of the IMFP and the transport mean free path (TRMFP). We provide a tabulation of albedo and TRMFP values in the supplementary material for 41 elemental solids and 42 inorganic compounds for photoelectron energies between 50 eV and 30 keV. For other materials, albedo values can be determined from IMFP and TRMFP data available in the NIST SRD 82 and SRD 100 databases. [ABSTRACT FROM AUTHOR]

Broadband Coherent Anti-Stokes Raman Scattering (B-CARS) is a powerful label-free nonlinear spectroscopy technique allowing one to measure the full vibrational spectrum of molecules and solids. B-CARS spectra, however, suffer from the presence of a spurious signal, called non-resonant background (NRB), which interferes with the resonant vibrational one, distorting the line shapes and degrading the chemical information. While several numerical techniques are available to remove this unwanted contribution and extract the resonant vibrational signal of interest, they all require the user's intervention and sensitively depend on the spectral shape of the NRB, which needs to be measured independently. In this work, we present a novel approach to remove NRB from B-CARS spectra based on deep learning. Thanks to the high generalization capability offered by the deep architecture of the designed neural network, trained through realistic simulated spectra, our fully automated model is able to process B-CARS spectra in real time and independently of the detailed shape of the NRB spectrum. This results in fast extraction of vibrational spectra without requiring user intervention or the measurement of reference spectra. We expect that this model will significantly simplify and speed-up the analysis of B-CARS spectra in spectroscopy and microscopy. [ABSTRACT FROM AUTHOR]

Nanoscale spectroscopy and imaging, a hybrid technique that combines a scanning probe microscope (SPM) with spectroscopy, can provide nanoscale topographical, spectral, and chemical information of a sample. In recent years, developments in nanofabrication technology have dramatically advanced the field of nanospectroscopy for applications in various fields including nanoscale materials, electronics, catalysis, and biological systems. However, challenges in nanofocusing of light for excitation and extracting weak signals of individual molecules from the background signal persist in conventional nanoscale spectroscopy including tip-enhanced Raman spectroscopy, scanning near-field microscopy (SNOM/NSOM), and photoluminescence spectroscopy. This article reviews new approaches to design plasmonic SPM probes that improve important aspects of nanospectroscopy such as nanofocusing, far-to-near-field-coupling efficiency, background suppression, and ease of fabrication. The authors survey a diverse range of novel schemes to excite propagating surface plasmon polaritons on the probe surface to attain highly enhanced nanofocused light at the apex for nanoscale spectroscopies. These schemes include grating coupler configurations on the plasmonic SPM probes, aperture and apertureless plasmonic SNOM probes, nanostructured resonators coupled with a highquality- factor photonic cavity, interfacing of the optical fiber with plasmonic nanowires, and nanoparticle-coupled plasmonic nanowires. These innovative probes merge the field of fiber optics, plasmonics, quantum optics, and nanomaterials. The authors provide a perspective on new approaches that combine the advantages of these probes and have the potential for significant advancement in nanoscale imaging and other types of nanoscale spectroscopies including scanning quantum spin spectroscopy and scanning thermal imaging microscopy. [ABSTRACT FROM AUTHOR]

In order to understand the interaction mechanisms in RE2O3 (RE=Gd, Er) nanoparticles (NPs), Perturbed Angular Correlation (PAC) spectroscopy, a local technique, plus external magnetic field, was used to elucidate local interactions and possible mapping of the different contribution in these compounds. NPs were synthesized by thermal decomposition and characterized by transmission electron microscopy and X-ray diffraction. PAC measurements were performed using 111In(111Cd) as probe nuclei, with and without the application of an external magnetic field (EMF) of 0.5 T in different temperatures (50 K, 100 K, 200 K, 300 K). Results show that the hyperfine magnetic field is almost zero when the probe is located at the symmetric site, and ∼4 T and ∼5 T for Gd2O3 and Er2O3, respectively, when the probe occupies the asymmetric field. [ABSTRACT FROM AUTHOR]

Most chemical and biochemical reactions in nature and in industrial processes are driven by thermal effects that bring the reactants above the energy barrier for reaction. In aqueous solutions, this process can also be triggered by the laser driven temperature jump (T-jump) method, in which the water vibrational (stretch, bend, or combination) modes are excited by a short laser pulse, leading to a temperature increase in the irradiated volume within a few picoseconds. The combination of the laser T-jump with X-ray spectroscopic probes would add element-specificity as well as sensitivity to the structure, the oxidation state, and the spin state of the intermediates of reactions. Here, we present preliminary results of a near infrared pump/X-ray absorption spectroscopy probe to study the ligand exchange of an octahedral aqueous Cobalt complex, which is known to pass through intermediate steps yielding tetrahedral chlorinated as final species. The structural changes of the chemical reaction are monitored with great sensitivity, even in the presence of a mild local increase in temperature. This work opens perspectives for the study of non-light-driven reactions using time-resolved X-ray spectroscopic methods. [ABSTRACT FROM AUTHOR]

Dual-comb spectroscopy has emerged as an indispensable analytical technique in applications that require high resolution and broadband coverage within short acquisition times. Its experimental realization, however, remains hampered by intricate experimental setups with large power consumption. Here, we demonstrate an ultrasimple free-running dual-comb spectrometer realized in a single all-fiber cavity suitable for the most demanding Doppler-limited measurements. Our dual-comb laser utilizes just a few basic fiber components, allows us to tailor the repetition rate difference, and requires only 350 mW of electrical power for sustained operation over a dozen of hours. As a demonstration, we measure low-pressure hydrogen cyanide within 1.7 THz bandwidth and obtain better than 1% transmittance precision over a terahertz in 200 ms enabled by an all-computational phase retrieval and correction algorithm. The combination of the setup simplicity, comb tooth resolution, and high spectroscopic precision paves the way for proliferation of frequency comb spectroscopy on a larger scale. [ABSTRACT FROM AUTHOR]

We report a novel spectroscopic technique to characterize photonic waveguides over more than an octave of wavelength. The technique, called mode-crossing spectroscopy, uses a broadband source and a spectrometer that are coupled to the input and output ends of a series of straight dielectric waveguides via single-mode optical fibers. Measurements of the wavelengths at which multiple modes are degenerate in a single waveguide enable the determination of the refractive index of the core, as well as the waveguide width variation. In addition, mode-dependent losses are reported from 700 nm to 1550 nm using waveguides of varying lengths. The core refractive indices are measured within an error of ±0.5%, waveguide width variation to an accuracy of less than 5 nm, and waveguide propagation losses within an error of ±0.5 dB/cm. Ultrabroadband in situ measurements of loss and index over an octave of bandwidth are crucial for the accurate characterization of photonic integrated circuits and devices, especially those based on precision broadband couplers, interferometers, and resonant cavities. [ABSTRACT FROM AUTHOR]

Acoustic spectroscopy and neural networks (NNs) are applied to on-line real-time measurement of particle size distribution (PSD) during wet milling of pharmaceutical nanocrystals. A method for modeling the relationship between acoustic attenuation spectra and PSD is proposed that is based on NNs and principal component analysis (PCA). PCA reduces the dimensions of both the spectra and the PSD; then, a neural network model of 2 × 2 × 2 (input, hidden, output layer nodes) with only eight connection weights is built. Compared with previous instrument models that could require as many as 14 physical properties, the current approach does not need any prior knowledge of the system's properties. In addition, the time taken to complete a PSD measurement is reduced from minutes to seconds and it always generates a single solution, rather than possible multiple PSD solutions as in early methods. Application to hydrotalcite nanomilling found good agreement between the on-line measurements and off-line analysis., (© 2023 Acoustical Society of America.)

The first-principle calculation with many-body effects explore the electronic and optical properties of newly designed 'graphyne with BP at hexagonal ring' (labeled as BP-yne). Our calculations show that BP-yne surface is a direct band gap semiconductor having band gap greater than pristine graphyne and this band gap value is sufficient to overcome the endothermic character of water-splitting reaction and further indicates its possible photocatalytic activities. The Raman and IR spectra analysis indicates quite different feature compare to its structural analogous 'graphyne with 3BN at ring' which may help to identify it during synthesis. Its optical absorption can be tuned from near-infrared to UV region depending on the polarization of electric field vector. The optical band gap, as well as the strong absorption peak, lies in the near-infrared region (NIR) and this promising trait can be exploited in biomedical arena. [ABSTRACT FROM AUTHOR]

The authors show that organic functionalization of an SiO2 surface can be used to controllably alter the etch per cycle during plasma-assisted atomic layer etching (ALE). The ALE process consisted of two half-cycles: CFx film deposition from a C4F8/Ar plasma and an Ar plasma activation step. The surface reactions, composition, as well as film thickness were monitored using in situ surface infrared spectroscopy combined with in situ four-wavelength ellipsometry. The SiO2 surface was prefunctionalized with bis(dimethylamino)dimethylsilane, which reacted with surface —SiOH groups in a self-limiting heterogeneous gas-solid reaction. After this reaction, the SiO2 surface was functionalized with Si—CH3 groups. ALE was performed on both as-deposited and functionalized SiO2 surfaces. Analysis of the infrared spectra after seven sequential ALE cycles on a bare SiO2 sample showed no accumulation of graphitic carbon on the SiO2 surface, and thickness measurements showed a net etch of ∼1.8 nm of SiO2. On the other hand, infrared spectra after seven sequential ALE cycles on the organically functionalized SiO2 surface clearly showed a buildup of graphitic hydrofluorocarbon on the surface. This graphitic hydrofluorocarbon film accumulated during each cycle, and after four cycles drastically reduced etching of SiO2 in later cycles. The overall etching of SiO2 after seven cycles was ∼1.0 nm. The infrared spectrum of this accumulation layer also shows intense Si—O—C and SiFx (x = 1, 2, 3) stretching vibrations, but CFx deposition on bare SiO2 shows weak intensity for the same features. Detailed analysis shows that the interface between CFx and SiO2 is atomically abrupt during ALE of bare SiO2 but has a high degree of mixing and covalent bonding in the etch-inhibiting graphitic fluorocarbon film that forms on the —CH3 functionalized SiO2 surface. [ABSTRACT FROM AUTHOR]

Ultraviolet (UV) synchrotron radiation circular dichroism (SRCD) spectroscopy has made an important contribution to the determination and understanding of the structure of bio-molecules. In this paper, we report an innovative approach that we term time-resolved SRCD (tr-SRCD), which overcomes the limitations of current broadband UV SRCD setups. This technique allows accessing ultrafast time scales (down to nanoseconds), previously measurable only by other methods, such as infrared (IR), nuclear magnetic resonance (NMR), fluorescence and absorbance spectroscopies, and small angle X-ray scattering (SAXS). The tr-SRCD setup takes advantage of the natural polarization of the synchrotron radiation emitted by a bending magnet to record broadband UV CD faster than any current SRCD setup, improving the acquisition speed from 10 mHz to 130 Hz and the accessible temporal resolution by several orders of magnitude. We illustrate the new approach by following the isomer concentration changes of an azopeptide after a photoisomerization. This breakthrough in SRCD spectroscopy opens up a wide range of potential applications to the detailed characterization of biological processes, such as protein folding and protein-ligand binding. [ABSTRACT FROM AUTHOR]

The exploitation of Brillouin scattering, the scattering of light by sound, has led to demonstrations of a broad spectrum of novel physical phenomena and device functionalities for practical applications. Compared with optomechanical excitation by optical forces, electromechanical excitation of acoustic waves with transducers on a piezoelectric material features intense acoustic waves sufficient to achieve near-unity scattering efficiency within a compact device footprint, which is essential for practical applications. Recently, it has been demonstrated that gigahertz acoustic waves can be electromechanically excited to scatter guided optical waves in integrated photonic waveguides and cavities, leading to intriguing phenomena such as induced transparency and nonreciprocal mode conversion, and advanced optical functionalities. The new integrated electromechanical Brillouin devices, utilizing state-of-the-art nanofabrication capabilities and piezoelectric thin film materials, succeed guided wave acousto-optics with unprecedented device integration, ultrahigh frequency, and strong light-sound interaction. Here, we experimentally demonstrate large-angle (60°) acousto-optic beam deflection of guided telecom-band light in a planar photonics device with electromechanically excited gigahertz (∼11 GHz) acoustic Lamb waves. The device consists of integrated transducers, waveguides, and lenses, all fabricated on a 330 nm thick suspended aluminum nitride membrane. In contrast, conventional guided-wave acousto-optic devices can only achieve a deflection angle of a few degrees at most. Our work shows the promises of such a new acousto-optic device platform, which may lead to potential applications in on-chip beam steering and routing, optical spectrum analysis, high-frequency acousto-optic modulators, RF or microwave filters and delay lines, as well as nonreciprocal optical devices such as optical isolators. [ABSTRACT FROM AUTHOR]

We demonstrate high-harmonic spectroscopy in many-electron molecules using time-dependent density-functional theory. We show that a weak attosecond-pulse-train ionization seed that is properly synchronized with the strong driving mid-infrared laser field can produce experimentally relevant high-harmonic generation (HHG) signals, from which we extract both the spectral amplitude and the target-specific phase (group delay). We also show that further processing of the HHG signal can be used to achieve molecular-frame resolution, i.e., to resolve the contributions from rescattering on different sides of an oriented molecule. In this framework, we investigate transient two-center interference in CO2 and OCS, and how subcycle polarization effects shape the oriented/aligned angle-resolved spectra. [ABSTRACT FROM AUTHOR]

Dilute samples of NH3 and ND3 in solid neon near 4 K were irradiated at 200 or 173 or 143 nm with light from a synchrotron. We recorded emission spectra of atomic N, involving states 4So, 2Po and 2Do, and of molecular N2, involving states X 1Σg+, A 3Σu+, B 3Πg and C 3Πu in systems with vibrational progressions in the lower states. The emission spectra covered the near-ultraviolet, visible and near-infrared regions from 200 to 1100 nm; the far-ultraviolet absorption spectrum for the precursor NH3 in solid neon was also measured. Recorded for samples in darkness after irradiation at 143 nm during warming from ∼5 K to ∼8 K, thermoluminescent spectra consisted mostly of lines emitted by molecular N2. The analysis of these spectra, and their temporal development, provides information about the nature of dissociative and trapping processes in solid neon under cryogenic conditions involving monochromatic synchrotron radiation. [ABSTRACT FROM AUTHOR]

The quality and properties of epitaxial films are strongly determined by the reactor type and the precursor source phase. Such parameters can impose limitations in terms of background doping, interface sharpness, clustering, phase separation, and homogeneity. The authors have implemented a hybrid epitaxy technique that employs, simultaneously, vapor and solid sources as group III precursors. The system combines the high throughput and the versatility of gas sources as well as the high purity of solid sources. Using this technique, the authors successfully demonstrated epitaxial growth of Al0.48In0.52As and Ga0.47In0.53As layers on Fe-doped semi-insulating InP (001) substrates with interesting properties, compared with the epilayers grown by more standard techniques (chemical beam epitaxy, metal-organic chemical vapor deposition, and MBE). For AlInAs growth, trimethylindium and solid aluminum were used as In and Al precursors, respectively. In the case of GaInAs, triethylgallium and solid indium were used, respectively, as Ga and In precursors. Thermally cracked arsine (AsH3) was used as an As (group V) precursor for both alloys. The AlInAs and GaInAs epilayers grown at a temperature of 500 °C exhibited featureless surfaces with RMS roughness of 0.2 and 1 nm, respectively. Lattice mismatch is of 134 ppm, for AlInAs, and −96 ppm, for GaInAs, which were determined from high-resolution x-ray diffraction (HR-XRD) patterns and showed a large number of Pendellösung fringes, indicating a high crystalline quality. An FWHM of 18.5 arcs was obtained for GaInAs epilayers, while HR-XRD mapping of a full 2-in. wafer confirmed a viable lattice mismatch homogeneity (standard deviation of 0.026%) for as-grown layers. The authors observed room-temperature background doping values as low as 3 × 1015 cm−3, for AlInAs, and 1 × 1015 cm−3, for GaInAs. Analysis of the PL spectra at 20 K showed an FWHM of 8 meV, for AlInAs, and 9.7 meV, for GaInAs, demonstrating a very good optical quality of the epilayers. In addition, they have investigated the effects of the growth temperature and of the arsine pressure on epilayer properties. They also discuss the optimum conditions for the growth of high-quality Al0.48In0.52As and Ga0.47In0.53As layers on InP (001) substrates using this hybrid epitaxy technique. [ABSTRACT FROM AUTHOR]

Light polarization is an inherent property of the coherent laser output that finds applications, for example, in vision, imaging, spectroscopy, cosmology, and communications. We report here on light polarization dynamics that repeatedly switches between a stationary state of polarization and an irregularly pulsating polarization. The reported dynamics is found to result from the onset of chimeras. Chimeras in nonlinear science refer to the counterintuitive coexistence of coherent and incoherent dynamics in an initially homogeneous network of coupled nonlinear oscillators. The existence of chimera states has been evidenced only recently in carefully designed experiments using either mechanical, optomechanical, electrical, or optical oscillators. Interestingly, the chimeras reported here originate from the inherent coherent properties of a commercial laser diode. The spatial and temporal properties of the chimeras found in light polarization are controlled by the laser diode and feedback parameters, leading, e.g., to multistability between chimeras with multiple heads and to turbulent chimeras. [ABSTRACT FROM AUTHOR]

We have implemented a rapid scanning technique into THz time-domain spectrometers using an oscillating frictionless delay line, especially adapted for nonlinear THz experiments. Thereby we were able to increase the dynamic range of THz measurements in the frequency range from 40 to 200 cm-1 by up to 24 dB and reduce the scanning time by up to a factor of 200. We report here test measurements on TDS-setups at repetition rates of 80 MHz and 5 kHz. The dynamic range exceeds 64 dB, which allows to record even small changes in the THz absorption upon optical excitation by a THz probe, covering the frequency range of the intermolecular modes and the phonon bands. We demonstrate the potential of this technique for optical-pump THz-probe experiments using a 70 μm thick high-resistivity silicon, excited by 400 nm, ∼50 fs pulses as a sample. [ABSTRACT FROM AUTHOR]

We describe a spectroscopy experiment, suitable for upper-division laboratory courses, that investigates saturated absorption spectroscopy and polarization spectroscopy in a neon discharge. Both experiments use nearly identical components, allowing students to explore both techniques in a single apparatus. Furthermore, because the wavelength of the laser is in the visible part of the spectrum (640 nm), the experiment is well-suited for students with limited experience in optical alignment. The labs nicely complement a course in atomic or plasma physics, provide students with the opportunity to gain important technical skills in the area of optics and lasers, and can provide an introduction to radio-frequency electronics. [ABSTRACT FROM AUTHOR]

Multiple-cation mixed-halide (Cs,FA,MA)Pb(I,Br)3 perovskites containing cesium, formamidinium (FA), and methylammonium (MA) possess excellent properties for a wide range of optoelectronic applications such as thin-film photovoltaics or lasers. We investigate the role of excitons and the exciton binding energy EB, relevant for the effectiveness of charge separation in solar cells, as well as the temperature-dependent bandgap energy Eg which is used as an indicator for crystal phase transitions. Generalized Elliott fits of absorption spectra offer the possibility to determine both EB and Eg. However, since excitonic effects are non-negligible even at room temperature, a careful and detailed analysis of the spectra is crucial for a correct interpretation. Therefore, an additional evaluation based on a so-called f-sum rule is applied to achieve an improved reliability of the results at higher temperatures. The obtained EB values of 20–24 meV for Cs-containing mixed perovskite compounds are below the ones of 24–32 meV and 36–41 meV for pure methylammonium lead iodide (MAPbI3) and bromide (MAPbBr3), respectively, and, thus, facilitate charge-carrier separation in photovoltaic applications. Furthermore, temperature-dependent (T = 5–300 K) studies of Eg in (Cs,FA,MA)Pb(I,Br)3 indicate a suppressed crystal phase transition by the absence of any phase-transition related signatures such as the well-known jump of about 100 meV in MAPbI3. We verify these results using temperature-dependent electroreflectance spectroscopy, which is a very reliable technique for the direct and non-destructive determination of optical resonances of the absorber layer in complete solar cells. Additionally, we confirm the suppression of the phase transition in Cs0.05(FA0.83MA0.17)0.95Pb(I0.83Br0.17)3 by temperature-dependent X-ray diffraction. [ABSTRACT FROM AUTHOR]

Wide-angle parabolic equations (WAPEs) play an important role in physics. They are derived by an expansion of a square-root pseudo-differential operator in one-way wave equations, and then solved by finite-difference techniques. In the present paper, a different approach is suggested. The starting point is an extra-wide-angle parabolic equation (EWAPE) valid for small variations of the refractive index of a medium. This equation is written in an integral form, solved by a perturbation technique, and transformed to the spectral domain. The resulting split-step spectral algorithm for the EWAPE accounts for the propagation angles up to 90° with respect to the nominal direction. This EWAPE is also generalized to large variations in the refractive index. It is shown that WAPEs known in the literature are particular cases of the two EWAPEs. This provides an alternative derivation of the WAPEs, enables a better understanding of the underlying physics and ranges of their applicability, and opens an opportunity for innovative algorithms. Sound propagation in both motionless and moving media is considered. The split-step spectral algorithm is particularly useful in the latter case since complicated partial derivatives of the sound pressure and medium velocity reduce to wave vectors (essentially, propagation angles) in the spectral domain. [ABSTRACT FROM AUTHOR]