Line Shifts Research Articles

Grating-incoupled waveguide-enhanced Raman sensor.

We report a waveguide-enhanced Raman spectroscopy (WERS) platform with alignment-tolerant under-chip grating input coupling. The demonstration is based on a 100-nm thick planar (slab) tantalum pentoxide (Ta2O5) waveguide and the use of benzyl alcohol (BnOH) and its deuterated form (d7- BnOH) as reference analytes. The use of grating couplers simplifies the WERS system by providing improved translational alignment tolerance, important for disposable chips, as well as contributing to improved Raman conversion efficiency. The use of non-volatile, non-toxic BnOH and d7-BnOH as chemical analytes results in easily observable shifts in the Raman vibration lines between the two forms, making them good candidates for calibrating Raman systems. The design and fabrication of the waveguide and grating couplers are described, and a discussion of further potential improvements in performance is presented.

Improving optical and morphological properties of Mn-doped ZnO via Ar ion sputtering followed by high-temperature UHV annealing

Abstract Using the ultrasonic spray pyrolysis technique, pure (ZnO) and manganese (4at%)-doped zinc oxide (ZnMnO) thin films were synthesized and treated with Ar+ sputtering in the UHV (ultra-high vacuum) system. In this regard, XRD (X-ray diffraction), XPS (X-ray photoelectron spectroscopy), PL (photoluminescence), and AFM (atomic force microscopy) techniques were applied to investigate the electronic and photonic properties of ZnO. XRD and XPS allowed us to identify the successful incorporation of Mn as a substitute for Zn, while PL and AFM images reveal a high tendency for crystalline grains on theZnMnO surface to aggregate to form small grains. However, bandgap narrowing, a redshift with considerable fluctuations in excitonic emission, and a perfect quenching of visible emission (400–640 nm) were observed. Investigations into defect-related emission in ZnMnO and ZnO compounds were conducted. The PL spectra of the prepared samples were measured and analyzed using Gaussian fitting. The PL of undoped ZnOexhibited an intense broad band with a peak at 550 nm. Two effects were shown to occur as a result of Mn doping: (i) a sharp quenching of self-activated PL with a progressive red-shift of the quenching’s spectral boundary; (ii) the appearance of a new emission band with a peak at 1.64 eV (756 nm), which dominates the PL spectrum and is noted in a band diagram; as well as a slight shift in the main line of ZnO, which is located at energy 3.275 eV (378.57nm).

Efficient and Secure Encapsulation of a Natural Phase Change Material in Nanofibers Using Coaxial Electrospinning for Sustainable Thermal Energy Storage.

In this study, we present an ecofriendly technique for encapsulating lauric acid (LA), a natural phase change material, within polystyrene (PS) nanofibers through coaxial electrospinning. The resulting LAPS core-sheath nanofibers exhibited a melting enthalpy of up to 136.6 J/g, representing 75.8% of the heat storage capacity of pristine LA (180.2 J/g), a value surpassing all previously reported core-sheath fibers. Scanning electron microscopy revealed uniform LAPS nanofibers free of surface LA until the core LA feed rate reached 1.3 mL/h. As the core LA feed rate increased, the fiber diameter shrank from 2.24 ± 0.31 to 0.58 ± 0.45 μm. Infrared spectra demonstrated a proportional increase in the LA content with rising core LA injection rates. Thermogravimetric analysis found the maximum core LA content in core-sheath nanofibers to be 75.0%. Differential scanning calorimetry thermograms displayed a trend line shift upon LA leakage for LA1.3PS nanofibers. LAPS fibers containing 75.0% LA effectively maintained consistent cycling stability and reusability across 100 heating-cooling cycles (20-60 °C) without heat storage deterioration. The core LA remained securely within the PS sheath after 100 cycles, and the LAPS nanofibers retained an excellent structural integrity without rupture. The energy-dense and form-stable LAPS core-sheath nanofibers have great potential for various thermal energy storage applications, such as building insulation, smart textiles, and electronic cooling systems, providing efficient temperature regulation and energy conservation.

A modified projection approach to line mixing

This paper presents a simple approach to combine the high-resolution narrowband features of some desired isolated line models together with the far wing behavior of the projection based strong collision (SC) method to line mixing which was introduced by Bulanin, Dokuchaev, Tonkov and Filippov. The method can be viewed in terms of a small diagonal perturbation of the SC relaxation matrix providing the required narrowband accuracy close to the line centers at the same time as the SC line coupling transfer rates are retained and can be optimally scaled to thermalize the radiator after impact. The method can conveniently be placed in the framework of the Boltzmann–Liouville transport equation where a rigorous diagonalization of the line mixing problem requires that molecular phase and velocity changes are assumed to be uncorrelated. A detailed analysis for the general Doppler case is given based on the first order Rosenkranz approximation, and which also provides the possibility to incorporate quadratically speed dependent parameters. Exact solutions for pure pressure broadening and explicit Rosenkranz approximations are given in the case with velocity independent parameters (line frequency, strength, width and shift) which can readily be retrieved from databases such as HITRAN for a large number of species. Numerical examples including comparisons to published measured data are provided in two specific cases concerning the absorption of carbon dioxide in its infrared band of asymmetric stretching, as well as of atmospheric water vapor and oxygen in relevant millimeter bands.

Classification of the acquisition conditions driving the accuracy of strain measurements during in situ DIC with scanning electron microscope

AbstractPerforming in situ scanning electron microscope (SEM) tests is an interesting way to visualise strain heterogeneities under mechanical loading. An essential step before performing the tests is to define the acquisition conditions. The aim of this paper is to propose a classification of the acquisition conditions that are most important for the accuracy of strain measurements using digital image correlation (DIC) in in situ SEM tests. More than 200 image pairs were acquired using a field emission gun SEM. The influence of different acquisition conditions was investigated: acceleration voltage, probe current, working distance, magnification, number of integrated images, image resolution, integration and number of integrated images, scan speed, contrast, brightness and exposure time of the sample in a given area. The methodology implemented in this work is an interesting tool for detecting scan line shift, drift distortion, spatial distortion and rastering artefacts. It allows the optimization of SEM acquisition conditions for strain measurements. Finally, optimal acquisition conditions for in situ testing are proposed and used to perform a tensile test on pure copper. The main factors highlighted include the size of the subset used in the DIC, the beam stabilisation time before image acquisition and the size of the images, which play a significant role in the results. It is recommended to apply the methodology to each device to optimise the acquisition conditions.

A multi-omics dataset of human transcriptome and proteome stable reference

The development of high-throughput omics technology has greatly promoted the development of biomedicine. However, the poor reproducibility of omics techniques limits their application. It is necessary to use standard reference materials of complex RNAs or proteins to test and calibrate the accuracy and reproducibility of omics workflows. The transcriptome and proteome of most cell lines shift during culturing, which limits their applicability as standard samples. In this study, we demonstrated that the human hepatocellular cell line MHCC97H has a very stable transcriptome (r = 0.983~0.997) and proteome (r = 0.966~0.988 for data-dependent acquisition, r = 0.970~0.994 for data-independent acquisition) after 9 subculturing generations, which allows this steady standard sample to be consistently produced on an industrial scale in long term. Moreover, this stability was maintained across labs and platforms. In sum, our study provides omics standard reference material and reference datasets for transcriptomic and proteomics research. This helps to further standardize the workflow and data quality of omics techniques and thus promotes the application of omics technology in precision medicine.

Composition and thermoelectric properties of structures based on iron silicide grown by pulse laser deposition

Silicon compounds have a wide range of electrical properties. In particular, the possibility of creating thermoelectric converters based on them looks extremely attractive. The use of most silicides as thermoelectrics today is limited by their low efficiency. The development of approaches consisting in the creation of low-dimensional structures using non-equilibrium formation methods is one of the priority directions for improving the properties of thermoelectric generators. Determination of the effect of technological regimes on the structure, phase-chemical composition and thermoelectric properties of metal-silicide structures is a key task, the solution of which will allow creating highly efficient thermoelectric generators based on them. Thin-film structures with a layer thickness of ~50 nm formed at different growth temperatures by pulsed laser deposition on two types of substrates: sapphire and gallium arsenide coated with an Al2O3 nanolayer were studied in this work. On the formed samples, a chemical analysis and a study of the phase composition were performed. Chemical analysis was carried out by X-ray photoelectron spectroscopy with the chemical composition depth profiling. The phase composition was studied by Raman spectroscopy. In addition, analysis of the elements in the films was carried out by X-ray spectral microanalysis based on a scanning electron microscope. To determine the thermoelectric properties of the formed thin-film structures, the temperature dependences of the Seebeck coefficient and the electrical conductivity coefficient were recorded. The dependence of the thermoelectric characteristics of iron silicide films on the phase composition is analyzed. In particular, measurements of the thermoelectric properties of FeSix thin-film structures registered the manifestation of a strong thermoelectric effect in layers with the maximum number of chemical bonds between iron and silicon. The parameters of the growth process at which the most effective formation of iron-silicon chemical bonds is achieved were determined using the method of X-ray photoelectron spectroscopy. Line shifts from the beta phase of iron disilicide were found in the Raman spectra and the reasons for their appearance were proposed

The State of CO and CO2 Ices in the Kuiper Belt as Seen by JWST

JWST has shown that CO2 and CO are common on the surfaces of objects in the Kuiper Belt and have apparent surface coverages even higher than that of water ice, though water ice is expected to be significantly more abundant in the bulk composition. Using full Mie scattering theory, we show that the high abundance and the unusual spectral behavior around the 4.26 μm ν 1 band of CO2 can be explained by a surface covered in a few micron thick layer of ∼1–2 μm CO2 particles. CO is unstable at the temperatures in the Kuiper Belt, so the CO must be trapped in some more stable species. While hydrate clathrates or amorphous water ice are often invoked as a trapping mechanism for outer solar system ices, the expected spectral shift of the absorption line for a CO hydrate clathrates or trapping in amorphous ice is not seen, nor does the H2O abundance appear to be high enough to explain the depth of the CO absorption line. Instead, we suggest that the CO is created via irradiation of CO2 and trapped in the CO2 grains during this process. The presence of a thin surface layer of CO2 with embedded CO suggests volatile differentiation driving CO2 from the interior as a major process driving the surface appearance of these mid-sized Kuiper Belt objects, but the mechanisms that control the small grain size and depth of the surface layer remain unclear.

Morphological adjustments of the Yamuna River in the Himalayan foothills in response to natural and anthropogenic stresses

AbstractRivers can adjust to natural and anthropogenic stresses through changes in flow regime and sediment dynamics. Flow regulation due to dam construction can modify sediment transport processes, causing morphological adjustments and changes in conveyance capacity. In this study, we explored morphological adjustments along a 46 km segment of the Yamuna River in the Himalayan foothills from Dakpathar Barrage to Hathni Kund Barrage using a combination of remote sensing approaches. The cloud computing platform Google Earth Engine (GEE) was used to analyse multi‐temporal collections of Landsat satellite imagery acquired between 1989 and 2021. Active river channels (including water and exposed sediment) were classified using an MNDWI and NDVI thresholding approach from annually resolved temporal composite images. Declassified CORONA satellite imagery (acquired in 1965, 1973 and 1976) was manually digitized to provide longer‐term insights into channel change. Morphological adjustments were assessed using the RivMAP toolbox, providing quantitative information on the rates of bank erosion and accretion, bank line shifts and changes in active channel width. Results showed a substantial narrowing of the active channel after 2013, which coincided with the construction of the Lakhwar‐Vyasi Dam. We calculated a 67% reduction in mean active channel width, narrowing from ~800 m in 1989 to ~250 m in 2021. During the same period, evidence of sand mining in the active channel indicates a substantial increase in mining activities after 2015. The concept of stasis was explored under different flow regulation scenarios to suggest that the river has undergone a state of inactivity, where the river is doing nothing for much longer durations. We suggest that the combined effects of flow regulation and increased mining activities during the same period have altered river morphology, and further stresses due to a combination of human activities can be damaging for the river regime. This study sheds light on the potential implications of multiple stresses acting on the Yamuna River at the same time, which can inform future sustainable river management activities.

Strain-Dependent Photoluminescence Line Shifts of the TS Color Center in 4H-SiС

We present a detailed study of the behavior of the photoluminescence (PL) of the TS color center in 4H-SiC under controlled mechanical strain. We have investigated the TS1 line under varying strain, including its reaction to compression and tension. We use emission polarization measurements to gain access to the orientation of the underlying defects. We put our results in context with previous findings and find good agreement, corroborating the proposed microscopic model.

Increasing access to psychological services within pediatric rheumatology care

BackgroundGiven the impact of psychological factors on rheumatic disease, pediatric psychologists serve a vital role in promoting quality of life and managing common problems among youth with rheumatic disease. The aim of this project was to increase access to psychological services among youth with rheumatic disease at a children’s hospital.MethodsA quality improvement (QI) team identified key drivers and interventions aimed to increase access to psychological services for youth with rheumatic disease. Data was collected for a 6-month baseline period and 4-year intervention period. We applied the Plan-Do-Study Act method of QI and the American Society for Quality criteria to adjust the center line and control limits.ResultsThere were two statistically significant center line shifts in the number of patients seen by psychology and one statistically significant shift in referrals to psychology over time with applied stepwise interventions. Patients seen by a psychologist increased by 3,173% from a baseline average of 1.8 to 59.9 patients seen per month (p < 0.03). Psychology referrals increased by 48% from a baseline average of 9.85 to 14.58 referrals per month over the intervention period (p < .01).ConclusionsYouth with rheumatic disease received increased access to mental health treatment when psychological services were imbedded within rheumatology care. Psychology referrals also increased significantly, suggesting that psychology integration within a medical clinic can increase identification of needs. Results suggest that psychology integration into rheumatology care may increase access to mental health treatment and identification of psychological needs in this at-risk population.

Influence of plasma fluctuation on the electronic structures and electron collisional excitation and ionization processes

Studies demonstrated significant discrepancies between the experimental observations of Stillman et al. [Phys. Rev. E 95, 063,204 (2017)] and almost all recent state-of-the art theoretical predictions for the He-α (1s2p→1s2) line shift of Al11+ ions placed in a hot dense plasma environment. Here, we suggest a new distorted wave method to determine the electronic structure and collision dynamics of highly stripped ions placed in plasmas. The method incorporating the plasma fluctuation, which yields modification term to the calculation of the central-field potential, is applied to the above problem. By adjusting the parameter q, which characterizes the intensity of the plasma fluctuation, we reproduce the experimental line shifts well over the whole range (of temperature and density) measured. In addition, we perform a calculation by incorporating the screened potential of Stanton and Murillo [Phys. Rev. E 91, 033,104 (2015)] and the current results (from ab-initio calculations) are in much better agreement with the experimental data than most previous theoretical results. Finally, we perform the calculation of electron collisional excitation and ionisation dynamic processes, where the continuous electron wave function is obtained by numerically solving the modified coupled Dirac equation. A careful investigation of the effect of plasma fluctuation on the integrated cross sections is made. The present work not only leads to further stimulation of the development of shielding models in extreme conditions, but also has important applications in laboratory and space plasmas.

On the Use of Deuterated Organic Solvents without TMS to Report 1H/13C NMR Spectral Data of Organic Compounds: Current State of the Method, Its Pitfalls and Benefits, and Related Issues.

The quite popular, simple but imperfect method of referencing NMR spectra to residual 1H and 13C signals of TMS-free deuterated organic solvents (referred to as Method A) is critically discussed for six commonly used NMR solvents with respect to their δH and δC values that exist in the literature. Taking into account the most reliable data, it was possible to recommend 'best' δX values for such secondary internal standards. The position of these reference points on the δ scale strongly depends on the concentration and type of analyte under study and the solvent medium used. For some solvents, chemically induced shifts (CISs) of residual 1H lines were considered, also taking into account the formation of 1:1 molecular complexes (for CDCl3). Typical potential errors that can occur as a result of improper application of Method A are considered in detail. An overview of all found δX values adopted by users of this method revealed a discrepancy of up to 1.9 ppm in δC reported for CDCl3, most likely caused by the CIS mentioned above. The drawbacks of Method A are discussed in relation to the classical use of an internal standard (Method B), two 'instrumental' schemes in which Method A is often implicitly applied, that is, the default Method C using 2H lock frequencies and Method D based on Ξ values, recommended by the IUPAC but only occasionally used for 1H/13C spectra, and external referencing (Method E). Analysis of current needs and opportunities for NMR spectrometers led to the conclusion that, for the most accurate application of Method A, it is necessary to (a) use dilute solutions in a single NMR solvent and (b) to report δX data applied for the reference 1H/13C signals to the nearest 0.001/0.01 ppm to ensure the precise characterization of new synthesized or isolated organic systems, especially those with complex or unexpected structures. However, the use of TMS in Method B is strongly recommended in all such cases.

Nanoscale thermal control of a single living cell enabled by diamond heater-thermometer

We report a new approach to controllable thermal stimulation of a single living cell and its compartments. The technique is based on the use of a single polycrystalline diamond particle containing silicon-vacancy (SiV) color centers. Due to the presence of amorphous carbon at its intercrystalline boundaries, such a particle is an efficient light absorber and becomes a local heat source when illuminated by a laser. Furthermore, the temperature of such a local heater is tracked by the spectral shift of the zero-phonon line of SiV centers. Thus, the diamond particle acts simultaneously as a heater and a thermometer. In the current work, we demonstrate the ability of such a Diamond Heater-Thermometer (DHT) to locally alter the temperature, one of the numerous parameters that play a decisive role for the living organisms at the nanoscale. In particular, we show that the local heating of 11–12 °C relative to the ambient temperature (22 °C) next to individual HeLa cells and neurons, isolated from the mouse hippocampus, leads to a change in the intracellular distribution of the concentration of free calcium ions. For individual HeLa cells, a long-term (about 30 s) increase in the integral intensity of Fluo-4 NW fluorescence by about three times is observed, which characterizes an increase in the [Ca2+]cyt concentration of free calcium in the cytoplasm. Heating near mouse hippocampal neurons also caused a calcium surge—an increase in the intensity of Fluo-4 NW fluorescence by 30% and a duration of ~ 0.4 ms.

Three phase equilibria of the methane hydrate in NaCl solutions: A simulation study

Molecular dynamics simulations have been performed to determine the three-phase coexistence temperature for a methane hydrate system in equilibrium with a NaCl solution and a methane gas phase. The direct coexistence technique is used following two approaches, one where the triple coexistence temperature for a given NaCl concentration is narrow down and another where the concentration at a given temperature is equilibrated. In both approaches the results are consistent within the error bars. All simulations were carried out at 400 bar and the range of concentrations explored extends up to a molality of 4 m. TIP4P/2005 for water molecules and a simple Lennard-Jones interaction site for methane were used to simulate the system. Positive deviations from the Lorentz-Berthelot energetic rule have been applied between methane and water (i.e., increasing the attractive interaction between water and methane). Na+ and Cl− ions were described by using the Madrid-2019 scaled charge model. The role played by finite size effects in the calculation of the coexistence line was analyzed by studying a system with larger number of molecules at a given NaCl concentration. Overall, our simulations show that upon NaCl addition to the liquid water phase, a shift in the three-phase equilibrium line to lower temperatures is produced as occurs in the ice-NaCl(aq) system. The depression of the three-phase coexistence line obtained at different concentrations is in a very good agreement with the experimental results.

Cover Picture: Astron. Nachr. 04/2023

Visualization of the results of a loop of spectral fits onto the time-averaged XMM-Newton / RGS spectrum of the Ultraluminous X-ray source NGC 247 ULX-1. The parameter space explored by the spectral fits covers a range of wind velocities (as constrained by the Doppler shift of the absorption lines) and photoionization parameters 𝜉 (an indicator of the wind temperature measured through the relative line ratios). The color code of the 2D map indicates, for each individual spectral fit, the improvement provided by the wind plasma component on the broadband continuum model. The black contours show the (2.0, 2.5, … 5.0 sigma) confidence levels, suggesting that the wind blows at about 17% of the speed of light. These results provide one of the most convincing detections of a hot plasma outflow in ultraluminous X-ray sources, the very first in the subclass of the supersoft sources. The implications of this discovery are discussed in the contribution of C. Pinto and P. Kosec, this issue, e20220134

Phase transitions and droplet shapes above a wetting stripe

We consider fluid adsorption on a planar wall patterned by a single stripe of width L of a wet material imbedded within a partially wet surface. If L were infinite we suppose that the wall would exhibit a first-order wetting transition at temperature Tw, and an associated line of pre-wetting transitions extending off bulk-coexistence. For finite widths L, we a) determine the finite-size scaling shift of the wetting temperature Tw(L), b) derive an equation, analogous to the Kelvin equation for capillary condensation, for the shift of the pre-wetting line but involving boundary tensions and a boundary contact angle and c) highlight the scaling and conformally invariant properties of condensed liquid drops lying above the stripe at bulk coexistence. We point out analogies between these predictions and those for capillary condensation and criticality in a parallel plate geometry and test them against numerical results obtained from a microscopic non-local classical density functional theory.

An Efficient Calibration System of Optical Interferometer for Measuring Middle and Upper Atmospheric Wind

Detection of the Doppler shift of airglow radiation in the middle and upper atmosphere is one of the most important methods for remote sensing of the atmospheric wind field. Laboratory and routine field calibration of an optical interferometer for wind measurement is very important. We report a novel calibration system that simulates a frequency shift of airglow emission lines introduced by wind in the middle and upper atmosphere for calibrating passive optical interferometers. The generator avoids the shortcomings of traditional motor-driven Doppler-shift generators in terms of stability and security while improving accuracy and simplifying assemblies. A simulated wind speed can be determined simultaneously using the light-beat method. The wind error simulated by the generator mainly comes from the light source, which is about 0.63 m/s. An experimental demonstration was conducted using a calibrated Fabry–Perot interferometer and showed that the root mean square of the measurement uncertainty is 0.91 m/s. The novel calibration system was applied to calibrate an asymmetric spatial heterodyne spectrometer (ASHS)-type interferometer successfully. The results demonstrate the feasibility of the system.

Scanning Algorithm Optimization for Achieving Low-Roughness Surfaces Using Ultrashort Laser Pulses: A Comparative Study

Femtosecond laser-assisted material surface modification is a rapidly growing field with numerous applications, including tribology, micromechanics, optofluidics, and medical implant treatment. For many of these applications, precise control of surface roughness after laser treatment is crucial, as it directly affects the final properties of the work surface. However, achieving low mean surface roughness values (<100 nm) is challenging due to the fundamental principles of laser light-matter interactions. The complex physical processes that occur during laser material interactions make it difficult to achieve the desired surface roughness, and only advanced scanning methods can potentially solve this issue. In our study, we analyzed laser scanning algorithms to determine the optimal method for producing surfaces with minimal roughness. We investigated how scanning parameters such as the overlap of modifications, the amount of successive line shift, and laser-scanner synchronization impact surface roughness. Using a numerical model, we obtained results that showed good agreement with experimentally acquired data. Our detailed theoretical and experimental analysis of different scanning methods can provide valuable information for the future optimization of minimal-roughness micromachining.

The Variability and Radial Velocity of Planetary Nebula Central Stars

The extremely accurate estimates of stellar variability and radial velocity in the Gaia Data Release 3 (Gaia DR3) have enabled us to examine the close binarity and radial velocity (RV) of central stars (CSs) of planetary nebulae (PNe). This study is twofold: (1) searching for new close binary CS candidates to better understand how binarity affects the formation and evolution of PNe; and (2) extending the sample size of known RVs of PNe in order to understand their kinematics and the dynamics of the Milky Way. As a target sample, we used all true, possible, and likely PNe available in the literature. Then, we looked for their matched Gaia DR3 sources that provide measurements of variability and RV. As a result, we detected the first large collection of trustworthy photometric variability of 26 symbiotic stars and 82 CSs. In this CS group, there are 24 sources already classified as true close binary CSs in the literature. Hence, we discovered 58 new close binary CS candidates. This close binary (CB) sample represents more than half of what is currently available in the literature. In addition, we identified the radial velocities for 51 PNe. To our knowledge, 24 of these were measured for the first time. The RV measurements predicted by Gaia, based on the Doppler shift of the CS absorption lines, and those derived from nebular emission lines, show satisfactory agreement except for a few extremely high-velocity PNe.