X-ray Emission Data Research Articles

X-ray emission from the interstellar and circumgalactic medium of elliptical galaxies based on macer simulations

ABSTRACT Interstellar medium (ISM) and circumgalactic medium (CGM) around galaxies are linked to several physical processes that drive galaxy evolution. For example, the X-ray emission from the CGM gas around ellipticals has been linked to the active galactic nucleus (AGN) feedback occurring in the host. Upcoming telescopes, such as Hot Universe Baryon Survey (HUBS) with ∼2 eV resolution, can provide us with deep insights about the hot gas properties of such galaxies that constrain these processes. In this project, we discuss X-ray emission of the ISM and CGM of elliptical galaxies simulated using macer code. We generate X-ray emission data from the macer simulations with various feedback models and produce mock observations for an instrument with high spectral resolution, which is a necessary step of selecting sources for the future observations with planned mission such as HUBS. More importantly, we establish connections between the physics of AGN and stellar feedback with the emission spectra from the ISM and CGM to investigate the possibility of using observations to constrain feedback models. We fit the X-ray spectra from these simulations with standard fitting procedures and compare the retrieved physical properties with their counterparts from the simulations to understand whether the future high-resolution observations can reliably reveal the properties of the gas in the galaxies.

Room temperature crystallography and X-ray spectroscopy of metalloenzymes.

The ultrashort (10s of femtoseconds) X-ray pulses generated by X-ray free electron lasers enable the measurement of X-ray diffraction and spectroscopic data from radiation-sensitive metalloenzymes at room temperature while mostly avoiding the effects of radiation damage usually encountered when performing such experiments at synchrotron sources. Here we discuss an approach to measure both X-ray emission and X-ray crystallographic data at the same time from the same sample volume. The droplet-on-tape setup described allows for efficient sample use and the integration of different reaction triggering options in order to conduct time-resolved studies with limited sample amounts. The approach is illustrated by two examples, photosystem II that catalyzes the light-driven oxidation of water to oxygen, and isopenicillin N synthase, an enzyme that catalyzes the double ring cyclization of a tripeptide precursor into the β-lactam isopenicillin and can be activated by oxygen exposure. We describe the necessary steps to obtain microcrystals of both proteins as well as the operation procedure for the drop-on-tape setup and details of the data acquisition and processing involved in this experiment. At the end, we present how the combination of time-resolved X-ray emission spectra and diffraction data can be used to improve the knowledge about the enzyme reaction mechanism.

Application of Machine Learning to Determine Electron Temperature in Globus-M2 Tokamak Using the Soft X-Ray Emission Data and the Thomson Scattering Diagnostics Data

Application of Machine Learning to Determine Electron Temperature in Globus-M2 Tokamak Using the Soft X-Ray Emission Data and the Thomson Scattering Diagnostics Data

AXEAP: a software package for X-ray emission data analysis using unsupervised machine learning.

The Argonne X-ray Emission Analysis Package (AXEAP) has been developed to calibrate and process X-ray emission spectroscopy (XES) data collected with a two-dimensional (2D) position-sensitive detector. AXEAP is designed to convert a 2D XES image into an XES spectrum in real time using both calculations and unsupervised machine learning. AXEAP is capable of making this transformation at a rate similar to data collection, allowing real-time comparisons during data collection, reducing the amount of data stored from gigabyte-sized image files to kilobyte-sized text files. With a user-friendly interface, AXEAP includes data processing for non-resonant and resonant XES images from multiple edges and elements. AXEAP is written in MATLAB and can run on common operating systems, including Linux, Windows, and MacOS.

Prediction performance of Hidden Markov modelling for solar flares

Solar flares are large explosions in the sun’s atmosphere. They can damage satellites and overload electrical systems. To manage that risk, finding methods of efficiently predicting future events is very important. In this paper we introduce a full-Sun flare prediction method based on the Hidden Markov modelling with two hidden states. We concentrate on the soft X-ray emission data near the minimum of solar cycle and consider two different driving dynamics for both states, namely the independent identically distributed (IID) random variables and the autoregressive (AR) processes, the latter introducing a memory structure. We compare prediction performance for the IID and AR approaches and also with a naive prediction equal to the last observation. The solar X-flux dynamics is predicted by using the day-ahead forecasts. We calculate point and interval forecasts and perform relevant statistical tests to choose the best method. It appears that the AR approach is clearly superior to the IID and naive both by means of point and interval forecasts. Moreover, it can well detect the higher state which can lead to very strong energy releases. Significant development of the model would be necessary to forecast solar flares over an entire solar cycle.

Scrutinizing various phenomenological interactions in the context of holographic Ricci dark energy models

In this paper, we examine two types of interacting holographic dark energy model using Pantheon supernova data, BAO BOSS DR12, CMB Planck 2015, fgas (gas mass fraction) and SZ/Xray (Sunyaev–Zeldovich effect and X-ray emission) data from galaxy clusters (GC). In particular, we considered the Holographic Ricci dark energy and Extended holographic Ricci dark energy models. During this analysis, we considered seven types of phenomenological interaction terms (three linear and four non-linear) Q_1=3Hbleft( rho _{D}+rho _mright) , Q_2=3Hbrho _{D}, Q_3=3Hbrho _{m}, Q_4=3Hbleft( rho _{D}+frac{rho _{D}^2}{rho _{D}+rho _m}right) , Q_5=3Hbleft( rho _{m}+frac{rho _{m}^2}{rho _{D}+rho _m}right) , Q_6=3Hbleft( rho _{D}+rho _{m}+frac{rho _{D}^2}{rho _{D}+rho _m}right) , Q_7=3HbBig (rho _{D}+rho _{m}+frac{rho _{m}^2}{rho _{D}+rho _m}Big ) respectively. To find the best model we apply Bayesian Inference (BI) and use the Lambda CDM as the referring model for comparison. Using the Bayesian Evidence model selection method we note that the Q_3 and Q_5 interaction terms are favored by observational data among the other ones. The obtained results also demonstrated that the evidence from the Bayesian inference method against the considered types of holographic Ricci dark energy model is strong since the Lambda CDM is considered as the reference model and also the Lambda CDM is preferred over the models. We also observed that the values of the deceleration parameter and the transition redshift for all models are compatible with the latest observational data and Planck 2015. In addition, we studied the jerk parameter for all models. Using our modified CAMB code, we observed that the interacting models suppress the CMB spectrum at low multipoles and enhances the acoustic peaks.

Collapse models tested in the LNGS underground laboratories

Collapse models consist in dynamical reformulations of the standard quantum mechanics aiming to solve the measurement problem. The standard Schrödinger dynamics is modified with the introduction of nonlinear and stochastic terms, which induce the wave function collapse in space. Collapse models predict slight deviations from the standard quantum mechanics predictions, in particular the emission of a “spontaneous radiation”, which we explored to set the most stringent limits on the collapse models parameters in a broad range. To this end, the X-ray emission data collected by the IGEX collaboration are analyzed and compared with the spectrum of the spontaneous photon emission process predicted by the theories. The results of the data analyses, and the ongoing experimental efforts will be presented.

BAYESIAN SPECTRUM DECONVOLUTION INCLUDING UNCERTAINTIES AND MODEL SELECTION: APPLICATION TO X-RAY EMISSION DATA USING WINBUGS.

Spectrum deconvolution is an important task in ionizing radiation measurements, as the pulse height spectra, or, in general, the measured data from spectrometers or other measuring instruments are usually determined by the convolution of the response function with the fluence spectra. The method presented here for obtaining fluence spectra from the measurements is an application of Bayesian parameter estimation to the deconvolution of X-ray emission data. The problem of choosing the optimal model among several possible models is also considered, as well as an approach to include contributions from various sources of uncertainty, both correlated and uncorrelated. The application is carried out using the Bayesian software WinBUGS.

Characteristics of SEP Events and Their Solar Origin During the Evolution of Active Region NOAA 10069

We present the results of a comparative analysis of the properties of a series of successive solar flares, which occurred in active region (AR) 10069 in August 2002, and the associated solar energetic particle (SEP) events. The active region was extremely flare productive during its evolution. The solar flare characteristics are based on X-ray and radio emission data: maximum detected photon energies and spectral index, delays between microwave, metric-radio and, hard X-ray emissions. The coronal mass ejections (CMEs) are characterized by their projected speed. The SEP properties are described by the relative electron to proton abundance as well as by the abundance of lower relative to higher energy particles. The analysis carried out supports some previous results obtained by large statistical studies, but at the same time refutes others. For example, the set of analyzed events that occurred in the AR did not show clear evidence of the big flare syndrome though the large proton events observed near Earth were always accompanied by CMEs. Some of the peculiar observations could be the result of the magnetic topology of the AR.

CSL Collapse Model Mapped with the Spontaneous Radiation

In this paper, new upper limits on the parameters of the Continuous Spontaneous Localization (CSL) collapse model are extracted. To this end, the X-ray emission data collected by the IGEX collaboration are analyzed and compared with the spectrum of the spontaneous photon emission process predicted by collapse models. This study allows the obtainment of the most stringent limits within a relevant range of the CSL model parameters, with respect to any other method. The collapse rate λ and the correlation length r C are mapped, thus allowing the exclusion of a broad range of the parameter space.

An X-ray spectral and theoretical study of the electronic structure and features of interatomic interactions in phenoxysilanes

The electronic structure and features of interatomic interactions providing the Si–O–C6H5 bonds in H4-nSi(OC6H5)n (n = 1–4) were studied by a combined analysis of the X-ray emission and photoelectron spectroscopic data and the results of quantum-chemical calculations. Theoretical calculations were carried out using the density functional theory. The distributions of the density of states were constructed, the correlation energy diagrams were presented, and the main types of interatomic interactions in phenoxysilanes were revealed.

Spatially resolved X-ray emission measurements of the residual velocity during the stagnation phase of inertial confinement fusion implosion experiments

A technique for measuring residual motion during the stagnation phase of an indirectly driven inertial confinement experiment has been implemented. This method infers a velocity from spatially and temporally resolved images of the X-ray emission from two orthogonal lines of sight. This work investigates the accuracy of recovering spatially resolved velocities from the X-ray emission data. A detailed analytical and numerical modeling of the X-ray emission measurement shows that the accuracy of this method increases as the displacement that results from a residual velocity increase. For the typical experimental configuration, signal-to-noise ratios, and duration of X-ray emission, it is estimated that the fractional error in the inferred velocity rises above 50% as the velocity of emission falls below 24 μm/ns. By inputting measured parameters into this model, error estimates of the residual velocity as inferred from the X-ray emission measurements are now able to be generated for experimental data. Details of this analysis are presented for an implosion experiment conducted with an unintentional radiation flux asymmetry. The analysis shows a bright localized region of emission that moves through the larger emitting volume at a relatively higher velocity towards the location of the imposed flux deficit. This technique allows for the possibility of spatially resolving velocity flows within the so-called central hot spot of an implosion. This information would help to refine our interpretation of the thermal temperature inferred from the neutron time of flight detectors and the effect of localized hydrodynamic instabilities during the stagnation phase. Across several experiments, along a single line of sight, the average difference in magnitude and direction of the measured residual velocity as inferred from the X-ray and neutron time of flight detectors was found to be ∼13 μm/ns and ∼14°, respectively.

Ionic Solutions Probed by Resonant Inelastic X-ray Scattering

Abstract X-ray spectroscopy is a powerful tool to study the local charge distribution of chemical systems. Together with the liquid jet it becomes possible to probe chemical systems in their natural environment, the liquid phase. In this work, we present X-ray absorption (XA), X-ray emission (XE) and resonant inelastic X-ray scattering (RIXS) data of pure water and various salt solutions and show the possibilities these methods offer to elucidate the nature of ion-water interaction.

5 f -Shell correlation effects in dioxides of light actinides studied by O 1s x-ray absorption and emission spectroscopies and first-principles calculations

Soft x-ray emission and absorption spectroscopic data are reported for the O 1s region of a single crystal of UO2, a polycrystalline NpO2 sample, and a single crystal of PuO2. The experimental data are interpreted using first-principles correlated-electron calculations within the framework of the density functional theory with added Coulomb U interaction (DFT+U). A detailed analysis regarding the origin of different structures in the x-ray emission and x-ray absorption spectra is given and the effect of varying the intra-atomic Coulomb interaction-U for the 5 f electrons is investigated. Our data indicate that O 1s x-ray absorption and emission spectroscopies can, in combination with DFT+U calculations, successfully be used to study 5 f -shell Coulomb correlation effects in dioxides of light actinides. The values for the Coulomb U parameter in these dioxides are derived to be in the range of 4–5 eV.

Photophysical studies of an encapsulated neutral guest intercalated into the 2-dimensional space of α-Zr(iv) phosphate

Our long-range objective of developing surface anchored supramolecular assemblies as artificial light harvesting systems led us to explore the intercalation of guest molecules confined within octaamine hydrochloride (OAm·HCl) in the 2-dimensional galleries of layered inorganic material α-Zr(IV)phosphate (α-ZrP). Photophysical properties of 4,4'-dimethylbenzil, camphorthione, 4,4'-dimethylstilbene, pyrene and coumarin-1 were used to probe the intercalation behavior of OAm capsules within the galleries of α-ZrP. (1)H NMR and emission spectral investigations suggested the inclusion of guests within OAm and also confirmed the stability of host-guest complexes under acidic conditions in water. Stirring guest encapsulated OAm capsule with exfoliated α-ZrP nanosheets resulted in intercalation of the host-guest assembly as a whole in the case of 4,4'-dimethylbenzil, camphorthione, and 4,4'-dimethylstilbene as guests. According to powder X-ray diffraction and emission data these capsules are stable in the galleries of α-ZrP. The fact that the capsules are stable and can be included in α-ZrP nanosheets opens up further opportunities to explore inclusion of two different capsules, one with a donor and the other with an acceptor, and study the energy and electron transfer phenomenon between neutral molecules in α-ZrP galleries.

Sensitivity of X-ray Core Spectroscopy to Changes in Metal Ligation: A Systematic Study of Low-Coordinate, High-Spin Ferrous Complexes

In order to assess the sensitivity and complementarity of X-ray absorption and emission spectroscopies for determining changes in the metal ligation sphere, a systematic experimental and theoretical study of iron model complexes has been carried out. A series of high-spin ferrous complexes, in which the ligation sphere has been varied from a three-coordinate complex, [L(tBu)Fe(SPh)] (1) (where L(tBu) = bulky β-diketiminate ligand; SPh = phenyl thiolate) to four-coordinate complexes [L(tBu)Fe(SPh)(X)] (where X = CN(t)Bu (2); 1-methylimidazole (3); or N,N-dimethylformamide (DMF) (4)), has been investigated using a combination of Fe K-edge X-ray absorption (XAS) and Kβ X-ray emission (XES) spectroscopies. The Fe K XAS pre-edge and edge of all four complexes are consistent with a high-spin ferrous assignment, with the largest differences in the pre-edge intensities attributed to changes in covalency of the fourth coordination site. The X-ray emission spectra show pronounced changes in the valence to core region (V2C) as the identity of the coordinated ligand is varied. The experimental results have been correlated to density functional theory (DFT) calculations, to understand key molecular orbital contributions to the observed absorption and emission features. The calculations also have been extended to a series of hypothetical high-spin iron complexes to understand the sensitivity of XAS and XES techniques to different ligand protonation states ([L(tBu)Fe(II)(SPh)(NHn)](3-n) (n = 3, 2, 1, 0)), metal oxidation states [L(tBu)Fe(SPh)(N)](n-) (n = 3, 2, 1), and changes in the ligand identity [L(tBu)Fe(IV)(SPh)(X)](n-) (X = C(4-), N(3-), O(2-); n = 2, 1, 0). This study demonstrates that XAS pre-edge data have greater sensitivity to changes in oxidation state, while valence to core (V2C) XES data provide a more sensitive probe of ligand identity and protonation state. The combination of multiple X-ray spectroscopic methods with DFT results thus has the potential to provide for detailed characterization of complex inorganic systems in both chemical and biological catalysis.

Spectral evidence of spinodal decomposition, phase transformation and molecular nitrogen formation in supersaturated TiAlN films upon annealing

Thermal treatment of supersaturated Ti1−xAlxN films (x≈0.67) with a dominant ternary cubic-phase were performed in the 700–1000°C range. Grazing incidence X-ray diffraction (GIXRD) shows that, for annealing temperatures up to 800°C, the film structure undergoes the formation of coherent cubic AlN (c-AlN) and TiN (c-TiN) nanocrystallites via spinodal decomposition and, at higher temperatures (⩾900°C), GIXRD shows that the c-AlN phase transforms into the thermodynamically more stable hexagonal AlN (h-AlN). X-ray absorption near-edge structure (XANES) at the Ti K-edge is consistent with spinodal decomposition taking place at 800°C, while Al K-edge and N K-edge XANES and X-ray emission data show the nucleation of the h-AlN phase at temperatures >800°C, in agreement with the two-step decomposition process for rock-salt structured TiAlN, which was also supported by X-ray diffraction patterns and first-principle calculations. Further, the resonant inelastic X-ray scattering technique near the N K-edge revealed that N2 is formed as a consequence of the phase transformation process.

Structure of the dense amorphous carbon phase synthesized in a mixture with diamond as a result of shock compression of carbon black

Soft X-ray emission and absorption spectroscopy methods were used in the present work to study experimentally the electronic structure of the dense amorphous carbon phase synthesized in a mixture with diamond as a result of shock compression of carbon black. The X-ray emission C Kα bands, representing the energy distribution of the C 2p-like states, have been recorded for the amorphous carbon phase and, for comparison, for diamond, lonsdaleite, graphite, and carbon black. For the amorphous carbon phase, diamond and lonsdaleite the spectra of quantum yields of the X-ray photoeffect in the area of the C K absorption edge have been recorded as well. Total and partial densities of states of the carbon H-6 and bct-4 phases, diamond and lonsdaleite have been calculated using the first-principles self-consistent full potential linearized augmented plane wave (FP-LAPW) method. Comparison on a common energy scale of the X-ray emission C Kα bands and C K quantum yields of the dense amorphous carbon phase as well as the theoretical curves of partial C 2p-like states of the carbon H-6 and bct-4 phases reveals that, the electronic structure of the amorphous carbon phase under consideration is well described by that of the carbon bct-4 phase. The experimental X-ray emission and absorption spectroscopy data indicate that the amorphous carbon phase studied is metallic, being in agreement with the results of the theoretical FP-LAPW calculations.

Effect of a chameleon scalar field on the cosmic microwave background

We show that a direct coupling between a chameleonlike scalar field and photons can give rise to a modified Sunyaev-Zel'dovich (SZ) effect in the cosmic microwave background (CMB). The coupling induces a mixing between chameleon particles and the CMB photons when they pass through the magnetic field of a galaxy cluster. Both the intensity and the polarization of the radiation are modified. The degree of modification depends strongly on the properties of the galaxy cluster such as magnetic field strength and electron number density. Existing SZ measurements of the Coma cluster enable us to place constraints on the photon-chameleon coupling. The constrained conversion probability in the cluster is ${\mathcal{P}}_{\mathrm{Coma}}(204\text{ }\text{ }\mathrm{GHz})<6.2\ifmmode\times\else\texttimes\fi{}{10}^{\ensuremath{-}5}$ at 95% confidence, corresponding to an upper bound on the coupling strength of ${g}_{\mathrm{eff}}^{(\mathrm{cell})}<2.2\ifmmode\times\else\texttimes\fi{}{10}^{\ensuremath{-}8}\text{ }\text{ }{\mathrm{GeV}}^{\ensuremath{-}1}$ or ${g}_{\mathrm{eff}}^{(\mathrm{Kolmo})}<(7.2--32.5)\ifmmode\times\else\texttimes\fi{}{10}^{\ensuremath{-}10}\text{ }\text{ }{\mathrm{GeV}}^{\ensuremath{-}1}$, depending on the model that is assumed for the cluster magnetic field structure. We predict the radial profile of the chameleonic CMB intensity decrement. We find that the chameleon effect extends farther toward the edges of the cluster than the thermal SZ effect. Thus we might see a discrepancy between the x-ray emission data and the observed SZ intensity decrement. We further predict the expected change to the CMB polarization arising from the existence of a chameleonlike scalar field. These predictions could be verified or constrained by future CMB experiments.

X-ray emission spectra and electronic structure of TiC, TiN, and TiO

The x-ray emission spectra and electronic spectra of titanium carbide, nitride, and oxide are studied. The experimental emission spectra have been obtained, MO calculations of clusters in TiC, TiN, and TiO have been carried out by the Mulliken-Wolfsberg-Helmholz method with self-consistency on charges and configurations. The results of calculations are compared with the x-ray emission data. The effects of chemical bonding and charge distributions in the TiC, TiN, and TiO series are studied. The role of metal-metal and metal-nonmetal interactions in chemical bonding is considered. The defects of crystal lattice and their influence on the x-ray emission spectra are studied. Using the cndo ci method, transition energies have been calculated for clusters in TiC and compared with the experimental absorption spectra.