Line Profiles Research Articles

GRASS. II. Simulations of Potential Granulation Noise Mitigation Methods

We present an updated version of the GRanulation And Spectrum Simulator (GRASS) which now uses an expanded library of 22 solar lines to empirically model time-resolved spectral variations arising from solar granulation. We show that our synthesis model accurately reproduces disk-integrated solar line profiles and bisectors, and we quantify the intrinsic granulation-driven radial-velocity (RV) variability for each of the 22 lines studied. We show that summary statistics of bisector shape (e.g., bisector inverse slope) are strongly correlated with the measured anomalous, variability-driven RV at high pixel signal-to-noise ratio SNR and spectral resolution. Further, the strength of the correlations varies both line by line and with the summary statistic used. These correlations disappear for individual lines at the typical spectral resolutions and SNRs achieved by current extremely precise radial velocity spectrographs; so we use simulations from GRASS to demonstrate that they can, in principle, be recovered by selectively binning lines that are similarly affected by granulation. In the best-case scenario (high SNR and large number of binned lines), we find that a ≲30% reduction in the granulation-induced root mean square RV can be achieved, but that the achievable reduction in variability is most strongly limited by the spectral resolution of the observing instrument. Based on our simulations, we predict that existing ultra-high-resolution spectrographs, namely, ESPRESSO and PEPSI, should be able to resolve convective variability in other, bright stars.

Detection of Fe and Ti on the dayside of the ultrahot Jupiter MASCARA-1b with CARMENES

Ultrahot Jupiters are a type of gaseous exoplanet that orbit extremely close to their host star, resulting in significantly high equilibrium temperatures. In recent years, high-resolution emission spectroscopy has been broadly employed in observing the atmospheres of ultrahot Jupiters. We used the CARMENES spectrograph to observe the high-resolution spectra of the dayside hemisphere of MASCARA-1b in both visible and near-infrared. Through cross-correlation analysis, we detected signals of Fe I and Ti I. Based on these detections, we conducted an atmospheric retrieval and discovered the presence of a strong inversion layer in the planet’s atmosphere. The retrieved Ti and Fe abundances are broadly consistent with solar abundances. In particular, we obtained a relative abundance of [Ti/Fe] as −1.0 ± 0.8 under the free retrieval and −0.4−0.8+0.5 under the chemical equilibrium retrieval, suggesting the absence of significant titanium depletion on this planet. Furthermore, we considered the influence of planetary rotation on spectral line profiles. The resulting equatorial rotation speed was determined to be 4.4−2.0+1.6 km s−1, which agrees with the rotation speed induced by tidal locking.

Evolution of Microstructure During Stress Relieving Heat Treatment of 1S Aluminium

Aluminium and its alloys are extensively used in nuclear research reactors due to its low neutron absorption coefficient, good heat transfer properties, excellent corrosion and oxidation resistance in air and water environment combined with desirable mechanical properties along with considerable radiation stability. The thin walled tubes are normally manufactured through port hole die extrusion route and used in 'O' tempered condition. The thin tubes in 'O' tempered condition are undergone canning operation which may alter the microstructural features to some extent which may affect mechanical properties. The paper describes the extent to which microstructural and subsequently mechanical properties are altered due to the simulated canning process and further requirements of stress relieving heat treatment to restore the microstructural features and mechanical properties. The following studies are carried out with 1S aluminum tube in 'O' tempered state, simulated canning condition and stress relieved at different temperature, - hardness measurement, X ray line profile analysis for dislocation density measurement, tensile properties measurement using ring tensile testing, electron back scattered diffraction (EBSD) analysis for recrystallization fraction determination and changes in texture components. It is found that the canning operation changes dislocation density, micro-strain, coherent domain size which are well reflected in hardness and ring tensile testing. Subsequent stress relieving at 350°C for 2 hrs. leads to improvement of mechanical properties appreciably.

Diagnostics of 3D explosion asymmetries of stripped-envelope supernovae by nebular line profiles

ABSTRACT Understanding the explosion mechanism and hydrodynamic evolution of core-collapse supernovae (SNe) is a long-standing quest in astronomy. The asymmetries caused by the explosion are encoded into the line profiles which appear in the nebular phase of the SN evolution – with particularly clean imprints in He star explosions. Here, we carry out nine different supernova simulations of He-core progenitors, exploding them in 3D with parametrically varied neutrino luminosities using the prometheus-hotb code, hydrodynamically evolving the models to the homologous phase. We then compute nebular phase spectra with the 3D Non-Local Thermodynamic Equilibrium spectral synthesis code extrass (EXplosive TRAnsient Spectral Simulator). We study how line widths and shifts depend on progenitor mass, explosion energy, and viewing angle. We compare the predicted line profile properties against a large set of Type Ib observations, and discuss the degree to which current neutrino-driven explosions can match observationally inferred asymmetries. With self-consistent 3D modelling – circumventing the difficulties of representing $^{56}$Ni mixing and clumping accurately in 1D models – we find that neither low-mass He cores exploding with high energies nor high-mass cores exploding with low energies contribute to the Type Ib SN population. Models which have line profile widths in agreement with this population give sufficiently large centroid shifts for calcium emission lines. Calcium is more strongly affected by explosion asymmetries connected to the neutron star kicks than oxygen and magnesium. Lastly, we turn to the near-infrared spectra from our models to investigate the potential of using this regime to look for the presence of He in the nebular phase.

Impact of disc magnetisation on MHD disc wind signature

Context. Observations of blue-shifted X-ray absorption lines indicate the presence of wind from the accretion disc in X-ray binaries. Magnetohydrodynamic (MHD) driving is one possible wind-launching mechanism. Recent theoretical developments have made self-similar magnetic accretion-ejection solutions much more generalised, showing that wind can be launched at a much lower magnetisation than the equipartition value, which had previously been the only possibility. Aims. In this work, we model the transmitted spectra through MHD-driven photoionised wind models with different levels of magnetisation. We investigate the possibility of detecting absorption lines by upcoming instruments, such as XRISM and Athena. We investigate the robustness of the method of fitting asymmetric line profiles by multiple Gaussians. Methods. We used the photoionisation code XSTAR to simulate the transmitted model spectra. To cover the extensive range of velocity and density of the wind spanned over a large distance (∼105 gravitational radii), we divided the wind into slabs following a logarithmic radial grid. Fake observed spectra are finally produced by convolving model spectra with instrument responses. Since the line asymmetries are apparent in the convolved spectra as well, this can be used in future XRISM and Athena spectra as an observable diagnostic to fit for. We applied some amount of rigor in assessing the equivalent widths of the major absorption lines, including the Fe XXVI Lyα doublets, which will be clearly distinguishable thanks to the superior quality of future high-resolution spectra. Results. Disc magnetisation stands as another crucial MHD variable that can significantly alter the absorption line profiles. Pure MHD outflow models at low magnetisation are dense enough to be observed by the existing or upcoming instruments. Therefore, these models can serve as simpler alternatives to MHD-thermal models. Fitting with multiple Gaussians is a promising method for handling asymmetric line profiles, as well as the Fe XXVI Lyα doublets.

Microstructural Evolution of Tantalum During Deformation and Subsequent Annealing

Microstructure-aware models are necessary to predict the behavior of material based on process knowledge or to extrapolate mechanical properties of materials to environmental conditions which are not easily reproduced in the laboratory, e.g., nuclear reactor environments. Elemental Ta provides a relatively simple BCC system in which to develop a microstructural understanding of deformation processes which can then be applied to more complicated BCC alloys. In situ neutron diffraction during compressive deformation and subsequent heat treatment have been used to monitor the evolution of microstructural features in Ta throughout simulated processing steps. Crystallographic texture and dislocation density are determined as a function of first plastic strain, then temperature. Lattice strains are determined and attributed to stresses at macroscopic, grain and dislocation length scales. The increase of the dislocation density through deformation and subsequent recovery during heat treatment is monitored through the changing diffraction line profile. Also, randomization of the texture is used as a signature of recrystallization. The recovery of dislocations through annihilation is not observed to depend on the initial dislocation density in the range studied here. In contrast, recrystallization is observed to depend strongly on the initially dislocation density.

Fine structure of the age–chromospheric activity relation in solar-type stars: II. Hα line

ABSTRACT Excess chromospheric emissions within deep photospheric lines are effective proxies of stellar magnetism for FGK stars. This emission decays with stellar age and is a potential determinant of this important stellar quantity. We report absolutely calibrated H $\alpha$ chromospheric fluxes for 511 solar-type stars in a wide interval of precisely determined masses, [Fe/H], ages, and evolution states from high S/N, moderately high$-$resolution spectra. The comparison of H $\alpha$ and H + K chromospheric fluxes reveals a metallicity bias (absent from H $\alpha$) affecting Ca ii H + K fluxes thereby metal-rich stars with deep line profiles mimic low chromospheric flux levels, and vice versa for metal-poor stars. This bias blurs the age–activity relation, precluding age determinations for old, inactive stars unless mass and [Fe/H] are calibrated into the relation. The H + K lines being the most widely studied tool to quantify magnetic activity in FGK stars, care should be exercised in its use whenever wide ranges of mass and [Fe/H] are involved. The H $\alpha$ age–activity–mass–metallicity calibration appears to be in line with the theoretical expectation that (other parameters being equal) more massive stars possess narrower convective zones and are less active than less massive stars, while more metal-rich stars have deeper convective zones and appear more active than metal-poorer stars. If regarded statistically in tandem with other age diagnostics, H $\alpha$ chromospheric fluxes may be suitable to constrain ages for FGK stars with acceptable precision.

Formation processes of iron-based layered hydroxide in acid mine drainage and its implications for in-situ arsenate immobilization: Insights and mechanisms

The immobilization of arsenate in transformed minerals depends on their states in acid mine drainage (AMD). In this study, an iron-based layer hydroxide mineral was derived from the transformation of ferrihydrite under co-existing Mg2+ ions in AMD. The immobilization behavior of arsenate on the mineralized LDHm and pre-prepared LDHad was distinguished. 99 % immobilization efficiency was achieved from the mineralized LDHm, maintaining stability without subsequent releases, across initial arsenate concentrations ranging from 10 to 60 mg/L. LDHm outperformed the pre-prepared LDHad, which was synthesized from AMD for arsenate adsorption. Electron energy loss spectroscopy line profiles revealed predominant incorporation of arsenate in the LDHm structure, supported by higher bulk As signals within LDHm. Density functional theory calculations indicated primary arsenate incorporation into LDHm, forming stable bonds with lower energy activation barriers. Importantly, LDHm exhibited a superior electron rearrangement configuration, resulting in enhanced electron state activity and affinity for arsenate. In contrast, arsenate adsorption predominantly occurred on the pre-prepared LDHad, with notable As signals detected particularly at the edges. Adsorption energy evaluation indicated arsenate preference for bonding to Fe3+ sites on LDHad. These findings provide important insights into the role of stable LDH-like minerals for long-term arsenate immobilization in the natural AMD attenuation processes.

JWST/NIRSpec and MIRI observations of an expanding, jet-driven bubble of warm H2 in the radio galaxy 3C 326 N

The physical link between AGN activity and the suppression of star formation in their host galaxies is one of the major open questions of the AGN feedback scenario. The Spitzer space mission revealed a subset of powerful nearby radio galaxies with unusually bright line emission from warm ($T 100$ K) molecular hydrogen, while typical star-formation tracers such as polycyclic aromatic hydrocarbons (PAHs) or a dust continuum have been exceptionally faint or undetected. Here, we present JWST NIRSpec and MIRI MRS IFU observations of one of the best studied galaxies of this class, 3C 326 N at z=0.09. We identified a total of 19 lines of the S, O, and Q series of ro-vibrational H$_2$ emission with NIRSpec at a 0.11 spatial resolution, probing a small quantity odot $) of gas at temperatures of $T 1000$ K. We also mapped the rotational mid-infrared lines of H$_2$ 0--0 S(3), S(5), and S(6) at a spatial resolution of 0.4 with MIRI/MRS, probing most of the $2 odot $ of warm H$_2$ in this galaxy. The CO band heads show a stellar component consistent with a 'slow-rotator' that is typical of a massive ($3 $\,M$_ galaxy, offering a reliable systemic redshift of $z=0.08979 0.0003$. The extended line emission shows a bipolar bubble expanding through the molecular disk at velocities of up to $, delineated by several bright clumps along the northern outer rim, potentially coming from gas fragmentation. Throughout the disk, H$_2$ is very broadly dispersed, with an FWHM of $ 100-1300$ km $ and complex, dual-component Gaussian line profiles. The extended FeII lambda 1.644 and Paalpha follow the same morphology, however NeIII lambda 15.56 is more symmetric about the nucleus. We show that most of the gas (with the exception of NeIII lambda 15.56) is predominantly heated by shocks driven by the radio jets into the gas, both for the ro-vibrational and rotational H$_2$ lines. In addition, the accompanying line broadening is sufficient to suppress star formation in the molecular gas. We also compared the morphology and kinematics of the rotational and ro-vibrational lines, finding the latter to be a good proxy to the global morphology and kinematic properties of the former in strongly turbulent environments. This demonstrates the potential of using the higher frequency ro-vibrational lines in studying turbulent molecular gas. Provided they are bright enough, they would allow us to examine turbulence in galaxies during the early phases of cosmic history, while most rotational lines are red-shifted out of the MIRI bandpass for $z ge1.5$

Defining the Regulatory Logic of Breast Cancer Using Single-Cell Epigenetic and Transcriptome Profiling.

Annotation of the cis-regulatory elements that drive transcriptional dysregulation in cancer cells is critical to improving our understanding of tumor biology. Herein, we present a compendium of matched chromatin accessibility (scATAC-seq) and transcriptome (scRNA-seq) profiles at single-cell resolution from human breast tumors and healthy mammary tissues processed immediately following surgical resection. We identify the most likely cell-of-origin for luminal breast tumors and basal breast tumors and then introduce a novel methodology that implements linear mixed-effects models to systematically quantify associations between regions of chromatin accessibility (i.e. regulatory elements) and gene expression in malignant cells versus normal mammary epithelial cells. These data unveil regulatory elements with that switch from silencers of gene expression in normal cells to enhancers of gene expression in cancer cells, leading to the upregulation of clinically relevant oncogenes. To translate the utility of this dataset into tractable models, we generated matched scATAC-seq and scRNA-seq profiles for breast cancer cell lines, revealing, for each subtype, a conserved oncogenic gene expression program between in vitro and in vivo cells. Together, this work highlights the importance of non-coding regulatory mechanisms that underlie oncogenic processes and the ability of single-cell multi-omics to define the regulatory logic of BC cells at single-cell resolution.

Doppler dimming and brightening effects in solar prominences

ABSTRACT We explored the impact that Doppler dimming and brightening effects from bulk motions of solar prominences have on the formation of Ly $~\alpha$, H $~\alpha$, and Mg ii h line profiles. We compared two schemes in which these effects manifest; when the prominence is moving radially away from the solar surface (radial case), and when the prominence is moving parallel to the solar surface (horizontal case). To do this, we analysed 13 332 model profiles generated through the use of the 1D NLTE (i.e. departures from Local Thermodynamic equilibrium) radiative transfer (RT) code promweaver, built on the lightweaver NLTE RT framework to mimic the behaviour and output of the 1D NLTE RT code prom. We found that horizontal velocities are just as, or more important than radial velocities. This demonstrates that horizontal velocities need to be accounted for when attempting to do any sort of forward modelling.

Double Hanle resonance dependence on light polarization angle and transverse magnetic field direction

We present experimental and theoretical investigations of the dependence of double Hanle resonance spectrum on the light polarization angle and the direction of the applied transverse magnetic field (TMF). The experiments are done for Fg=2→Fe=1 transition of 87Rb D1 line using a rubidium vapor cell containing buffer gas. We show that a small light polarization component along the direction of TMF introduces asymmetry in the double Hanle resonance signal. Both the magnitude and sign of asymmetry in the signal are sensitive to the TMF orientation, suggesting a possible method for in-situ measurement of the direction of the magnetic fields generated by the coils. The physical origin of this asymmetry is explained by considering the redistribution of population among the ground-state Zeeman sublevels in the presence of TMF. In addition, we systematically vary both the polarization angle and TMF direction to study their effect on the line profile of Hanle resonances. We demonstrate that a double Hanle resonance changes to a dark Hanle resonance by rotating the light polarization vector irrespective of the TMF direction. We have developed a simple theoretical model based on a degenerate two-level system to explain our experimental observations.

Virulence Patterns of Oat Crown Rust in Australia - Season 2022.

Puccinia coronata f. sp. avenae (Pca) is an important foliar pathogen of oat which causes crown rust disease. The virulence profile of 48 Pca isolates derived from different locations in Australia was characterized using a collection of oat lines often utilized in rust surveys in the United States and Australia. This analysis indicates that Pca populations in Eastern Australia are broadly virulent, which contrasts with the population in Western Australia (WA). Several oat lines/Pc genes are effective against all rust samples collected from WA, suggesting they may provide useful resistance in this region if deployed in combination. We identified 19 lines from the United States oat differential set that display disease resistance to Pca in WA, with some in agreement with previous rust survey reports. We adopted the 10-letter nomenclature system to define oat crown rust races in Australia and compare the frequency of those virulence traits to published data from the United States. Based on this nomenclature, 42 unique races were detected among the 48 isolates, reflecting the high diversity of virulence phenotypes for Pca in Australia. Nevertheless, the Pca population in the United States is substantially more broadly virulent than that of Australia. Close examination of resistance profiles for the oat differential set lines after infection with Pca supports hypotheses of allelism or redundancy among Pc genes or the presence of several resistance genes in some oat differential lines. These findings illustrate the need to deconvolute the oat differential set using molecular tools.[Formula: see text] Copyright © 2024 The Author(s). This is an open access article distributed under the CC BY-NC-ND 4.0 International license.

Exciton–photocarrier interference in mixed lead-halide-perovskite nanocrystals

The use of semiconductor nanocrystals in scalable quantum technologies requires characterization of the exciton coherence dynamics in an ensemble of electronically isolated crystals in which system–bath interactions are nevertheless strong. In this communication, we identify signatures of Fano-like interference between excitons and photocarriers in the coherent two-dimensional photoluminescence excitation spectral lineshapes of mixed lead-halide perovskite nanocrystals in dilute solution. Specifically, by tuning the femtosecond-pulse spectrum, we show such interference in an intermediate coupling regime, which is evident in the coherent lineshape when simultaneously exciting the exciton and the free-carrier band at higher energy. We conclude that this interference is an intrinsic effect that will be consequential in the quantum dynamics of the system and will thus dictate decoherence dynamics, with consequences in their application in quantum technologies.

Mapping the microstructure and the mechanical performance of a combinatorial Co–Cr–Cu–Fe–Ni–Zn high-entropy alloy thin film processed by magnetron sputtering technique

The Co–Cr–Cu–Fe–Ni–Zn compositional library was studied on a combinatorial high-entropy alloy thin film processed on a silicon substrate by magnetron sputtering technique. The thickness of the coating was between 2 and 3 μm while the lateral dimension was 10 cm. The chemical composition in the layer depended on the location and for each constituent element the concentration varied between 5 and 42 at.%. The phase composition and the microstructure were mapped using synchrotron X-ray diffraction, and the crystallite size as well as the density of lattice defects (dislocations and twin faults) were determined by diffraction line profile profile analysis. In addition, selected locations were studied by transmission electron microscopy. The influence of the chemical composition on the microstructure and the mechanical behavior was revealed. The mechanical performance was characterized by nanoindentation mapping which determined the hardness and the elastic modulus versus the element concentrations. It was found that the coating contains single phase face-centered cubic (FCC) and body-centered cubic (BCC) regions as well as an intermediate two-phase area. In the whole combinatorial sample, the microstructure consisted of nanocrystalline columns growing perpendicular to the coating surface and having pores between them. Due to the porosity, the hardness and the elastic modulus were relatively low despite the nanostructure and the very high defect density. The highest hardness (3.4 GPa) and elastic modulus (119 GPa) were measured in the BCC region with the chemical composition of 10%Co–38%Cr–13%Cu–27%Fe–5%Ni–7%Zn (at.%).

Key features of the innate immune response is mediated by the immunoproteasome in microglia.

Microglia are the resident immune cells of the central nervous system (CNS). We and others have shown that the inflammatory response of microglia is partially regulated by the immunoproteasome, an inducible form of the proteasome responsible for the generation of major histocompatibility complex (MHC) class I epitopes. While the role of the proteasome in the adaptive immune system is well established, emerging evidence suggests the immunoproteasome may have discrete functions in the innate immune response. Here, we show that inhibiting the immunoproteasome reduces the IFNγ-dependent induction of complement activator C1q, suppresses phagocytosis, and alters the cytokine expression profile in a microglial cell line and microglia derived from human inducible pluripotent stem cells. Moreover, we show that the immunoproteasome regulates the degradation of IκBα, a modulator of NF-κB signaling. Finally, we demonstrate that NADH prevents induction of the immunoproteasome, representing a potential pathway to suppress immunoproteasome-dependent immune responses.

Axial H-Bonding Solvent Controls Inhomogeneous Spectral Broadening, While Peripheral H-Bonding Solvent Controls Vibronic Broadening: Cresyl Violet in Methanol.

The dynamics of the nuclei of both a chromophore and its condensed-phase environment control many spectral features, including the vibronic and inhomogeneous broadening present in spectral line shapes. For the cresyl violet chromophore in methanol, we here analyze and isolate the effect of specific chromophore-solvent interactions on simulated spectral densities, reorganization energies, and linear absorption spectra. Employing both chromophore and its condensed-phase environment control many spectral features, including the vibronic and inhomogeneous broadening present in spectral line shapes. For the cresyl violet chromophore in methanol, we here analyze and isolate the effect of specific chromophore-solvent interactions on simulated spectral densities, reorganization energies, and linear absorption spectra. Employing both force field and ab initio molecular dynamics trajectories along with the inclusion of only certain solvent molecules in the excited-state calculations, we determine that the methanol molecules axial to the chromophore are responsible for the majority of inhomogeneous broadening, with a single methanol molecule that forms an axial hydrogen bond dominating the response. The strong peripheral hydrogen bonds do not contribute to spectral broadening, as they are very stable throughout the dynamics and do not lead to increased energy-gap fluctuations. We also find that treating the strong peripheral hydrogen bonds as molecular mechanical point charges during the molecular dynamics simulation underestimates the vibronic coupling. Including these peripheral hydrogen bonding methanol molecules in the quantum-mechanical region in a geometry optimization increases the vibronic coupling, suggesting that a more advanced treatment of these strongly interacting solvent molecules during the molecular dynamics trajectory may be necessary to capture the full vibronic spectral broadening.

Effect of Cage Occupancies on Molecular Vibrations of Methane in Structure H Clathrate Hydrate: Ab Initio Molecular Dynamics Simulation.

The structure H (sH) of methane hydrate, which has a distinctive structure with large (LL) cages capable of encapsulating multiple methane molecules, has been suggested as a methane reservoir in large icy bodies such as Titan, making it important in planetary science. This high-pressure phase, which exists in the GPa range, lends itself to the study of methane states and dynamics using powerful experimental techniques such as IR and Raman spectroscopy. However, the interpretation of the vibrational spectra of methane in the sH structure has been challenging because of the spectral complexities. The signals attributed to the methane molecules in the LL cage, as well as those of the other two cage types, overlap in the spectra. In this study, we investigated the microscopic origins of the shape of the C-H stretching vibration spectrum of methane in the LL cage using ab initio molecular dynamics (AIMD) simulations. For a single methane molecule in the LL cage, the ν3 band of the C-H stretching mode was observed at a higher frequency typical of isolated molecules in vacuum due to the large size of the LL cage. As the number of methane molecules in the LL cage increased beyond one, a tendency to blue-shift with increasing methane occupancy was observed, consistent with a loose-cage-tight-cage model. By characterizing the time correlation function of methane stretching vibrations based on the solvation number of methane and water molecules proximal to methane within the LL cage, we showed that the complicated spectral line shape observed in cases of higher methane occupancy in the LL cage resulted from the wider variation of the solvation shell states. Analysis of the solvation structures of the AIMD trajectories provided interpretations of the experimental spectral line shape, demonstrating the complementary nature of AIMD to the experiment and its effectiveness in analysis.

High-resolution spectroscopy of LaAlO3-Pr3+ pseudo-cubic perovskite single crystals: Crystal-field parameters, hyperfine and deformation splittings

We report high-resolution measurements and analysis of the optical transmission and emission spectra of a concentration series of La(1-x)PrxAlO3 (x = 10−3, 9 ⋅ 10−3, and 2 ⋅ 10−2) single crystals in a wide frequency range ((2-27) ⋅ 103 cm−1) at temperatures 5–300 K, below the structural phase transition from the cubic Pm3‾m to the rhombohedral R3‾c phase. Pr3+ ions substitute for La3+ ions at sites with point symmetry D3. All recorded spectral lines are assigned to specific initial and final crystal-field (CF) energy levels, the scheme of CF levels is constructed and described by an appropriate set of CF parameters. The structural phase transition is accompanied by shear strains and the formation of ferroelastic twin domains of four types compressed along one of the four C3 axes in the parent cubic crystal lattice. Specific features of the measured spectra, namely, anomalous broadening of spectral lines and doublet structure of some lines corresponding to transitions between CF singlets and doublets, are considered as a result of interaction of 4f electrons with the field of random shear deformations competing at the boundaries of twin domains. Modeling of the observed line shapes was performed taking into account both hyperfine interactions and random lattice strains, as well as the effect of temperature. The width (6.6 ± 0.7)⋅10− 4 of the introduced two-dimensional distribution function of random strains was found from a comparison of simulated and measured profiles of the split spectral lines. The results of this work can be applied for quantitative assessment of crystal quality.

CO[formula omitted] collision-induced line parameters for the [formula omitted] band of 12CH[formula omitted] measured using a hard-collision speed-dependent line shape and the relaxation matrix formalism

Ten high resolution Fourier transform spectra of the pentad region near 3.3μm of methane diluted in carbon dioxide at total pressures up to 800 hPa have been recorded at 296.5(5) K. Including a high resolution spectrum of pure methane at low pressure, these spectra have been analyzed using multi-spectrum fitting techniques. The methane lines were modeled using hard-collision speed-dependent line profiles and line mixing was included in the strongest absorption regions, considering the first order Rosenkranz approximation and the relaxation matrix formalism. CO2 broadening and shift coefficients have been measured, together with the speed dependence of broadening. Results obtained using the two line mixing models are intercompared and compared with previous work.