EXAFS: theory and approaches
Here, this chapter gives a discussion of the theory of EXAFS, including the first derivations as well as the modern theory based on the real-space multiple-scattering formalism.
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Here, this chapter gives a discussion of the theory of EXAFS, including the first derivations as well as the modern theory based on the real-space multiple-scattering formalism.
Purpose: This theoretical work contains a detailed investigation of the potential and sensitivity of phase-based x-ray scattering for cancer detection in biopsies if cancer is in a very early stage of development. Methods: Cancer cells in their early stage of development differ from healthy ones mainly due to their faster growing cell nuclei and the enlargement of their densities. This growth is accompanied by an altered nucleus–plasma relation for the benefit of the cell nuclei, that changes the physical properties especially the index of refraction of the cell and the one of the cell nuclei. Interaction of radiation with matter is known to be highly sensitive to small changes of the index of refraction of matter; therefore a detection of such changes of volume and density of cell nuclei by means of high angular resolved phase-based scattering of x rays might provide a technique to distinguish malignant cells from healthy ones ifthe cell–cell nucleus system is considered as a coherent phase shifting object. Then one can observe from a thin biopsy which represents a monolayer of cells (no multiple scattering) that phase-based x-ray scattering curves from healthy cells differ from those of cancer cells in their early stage of development. Results: Detailed calculations of x-ray scattering patterns from healthy and cancer cell nuclei yield graphs and numbers with which one can distinguish healthy cells from cancer ones, taking into account that both kinds of cells occur in a tissue within a range of size and density. One important result is the role and the influence of the (lateral) coherence width of the radiation on the scattering curves and the sensitivity of phase-based scattering for cancer detection. A major result is that a larger coherence width yields a larger sensitivity for cancer detection. Further import results are calculated limits for critical sizes and densities of cell nuclei in order to attribute the investigated tissue to be healthy or diseased. Conclusions: With this proposed method it should be in principle possible to detect cancer cells in apparently healthy tissues in biopsies and/or in samples of the far border region of abscised or excised tissues. Thus this method could support established methods in diagnostics of cancer-suspicious samples.
In this paper, we expand the previous theory to be applied to a generic drop size distribution with spheroidal raindrops including spherical raindrops. Results will be used to discuss the multiple scattering effects on the backscatter measurements acquired by a W-band nadir-pointing radar.
ICARUS T600 is the largest Liquid Argon (LAr) Time Projection Chamber (TPC) ever built. Thanks to the excellent spatial and calorimetric resolutions and the three-dimensional visualization capabilities ICARUS T600 represents a major milestone towards the realization of future LAr detectors for neutrino physics and for the search of rare events. Three new important results from the analysis of the events collected by this detector will be here shortly presented: in particular the new improved results on the electron neutrino search, the results on the determination of the muon momentum using the Multiple Scattering and the new LAr purification methods and improvements of the electron lifetime.
Neutron polarization analysis has been carried out in order to clarify the magnetic structures of multiple order parameter f-electron system NdB 4 . We confirmed the noncollinear “all-in all-out” structure (Γ 4 ) of the in-plane moment, which is in good agreement with our previous neutron powder diffraction study. We found that the magnetic moment along the c-axis m c showed diagonally antiferromagnetic structure (Γ 10 ), inconsistent with previously reported “vortex” structure (Γ 2 ). The microscopic mixture of these two structures with → q 0 =(0,0,0) appears in phase II and remains stable in phases III and IV, where an incommensurate modulation coexists. The unusual magnetic ordering is phenomenologically understood via Landau theory with the primary order parameter Γ 4 coupled with higher-order secondary order parameter Γ 10 . The magnetic moments were estimated to be 1.8 ± 0.2 and 0.2 ± 0.05μ B at T = 7.5K for Γ 4 and Γ 10 , respectively. We also found a long-period incommensurate modulation of the → q 1 =(0,0,1/2) antiferromagnetic structure of mc with the propagation → q s1 =(0.14,0.14,0.1) and → q s2 =(0.2,0,0.1) in phase III and IV, respectively. The amplitude of sinusoidal modulation was about m c =1.0 ± 0.2μ B at T=1.5 K. The local (0,0,1/2) structure consists of in-plane ferromagnetic and out-of-plane antiferromagnetic coupling of m c , opposite to the coexisting Γ 10 . The mc of Γ 10 is significantly enhanced up to 0.6μ B at T=1.5 K, which is accompanied by the incommensurate modulations. As a result, the Landau phenomenological approach indicates that the higher-order magnetic and/or multipole interactions based on the pseudoquartet f-electron state play important roles.
We present a semi-analytical line transfer model, (SALT), to study the absorption and re-emission line profiles from expanding galactic envelopes. The envelopes are described as a superposition of shells with density and velocity varying with the distance from the center. We adopt the Sobolev approximation to describe the interaction between the photons escaping from each shell and the remainder of the envelope. We include the effect of multiple scatterings within each shell, properly accounting for the atomic structure of the scattering ions. We also account for the effect of a finite circular aperture on actual observations. For equal geometries and density distributions, our models reproduce the main features of the profiles generated with more complicated transfer codes. Also, our SALT line profiles nicely reproduce the typical asymmetric resonant absorption line profiles observed in starforming/starburst galaxies whereas these absorption profiles cannot be reproduced with thin shells moving at a fixed outflow velocity. We show that scattered resonant emission fills in the resonant absorption profiles, with a strength that is different for each transition. Observationally, the effect of resonant filling depends on both the outflow geometry and the size of the outflow relative to the spectroscopic aperture. Neglecting these effects will lead to incorrect values of gas covering fraction and column density. When a fluorescent channel is available, the resonant profiles alone cannot be used to infer the presence of scattered re-emission. Conversely, the presence of emission lines of fluorescent transitions reveals that emission filling cannot be neglected.
The development of efficient thermal energy management devices such as thermoelectrics and barrier coatings often relies on compounds having low lattice thermal conductivity (κ l ). Here, we present the computational discovery of a large family of 628 thermodynamically stable quaternary chalcogenides, AMM'Q 3 (A = alkali/alkaline earth/post-transition metals; M/M' = transition metals, lanthanides; Q = chalcogens) using high-throughput density functional theory (DFT) calculations. We validate the presence of low κ l in these materials by calculating κ l of several predicted stable compounds using the Peierls–Boltzmann transport equation. Our analysis reveals that the low κ l originates from the presence of either a strong lattice anharmonicity that enhances the phonon-scatterings or rattler cations that lead to multiple scattering channels in their crystal structures. Our thermoelectric calculations indicate that some of the predicted semiconductors may possess high energy conversion efficiency with their figure-of-merits exceeding 1 near 600 K. Our predictions suggest experimental research opportunities in the synthesis and characterization of these stable, low κ l compounds.
FE-DWBA is a software package that computes the x-ray scattering patterns of objects that locate on a surface or buried next to a surface, such as the nano-circuits and nano-patterns of the mask used in the extreme ultraviolet lithography. It can incorporate the dynamical scattering effect (photons scattered multiple times), which is predominant in surface scattering and yield high-fidelity scattering patterns. The application includes surface imaging using x-rays, and critical dimension determination for semiconductor manufacturing.
Results of multiple-scattering computations based on whole-disk and Digicon polarization observations are presented which indicate vertical inhomogeneity in the upper atmosphere of Venus. It is shown that the whole-disk observations support a thin upper haze layer of 0.18-micron particles and that the low polarization observed near the limb and terminator requires a haze of slightly larger particles. The Digicon polar regions are found to exhibit increased polarization, which is compatible with CO2 absorption measurements and is explained by increased molecular scattering above the clouds. The decrease in cloud-top height for latitudes greater than 45 deg is estimated to be approximately 1.4 km.
The contribution of inelastic molecular scattering (Rayleigh-Brillouin and rotational Raman scattering) to the filling-in of Fraunhofer lines in the light of the blue sky is studied. Aerosol fluorescence is shown to be negligible, and aerosol scattering is ignored. The angular and polarization dependences of the filling-in detail for single scattering are discussed. An approximate treatment of multiple scattering, using a backward Monte Carlo technique, makes it possible to investigate the effects of the ground albedo. As the molecular scatterings alone produce more line-filling than is observed, it seems likely that aerosols dilute the effect by contributing unaltered sunlight to the observed spectra.
An integral equation is derived which linearly relates Doppler perturbations in the spectrum of atmospheric absorption features to the wind system which creates them. The perturbation theory is developed using a single scattering model, which is validated against a multiple scattering calculation. The nature and basic properties of the kernels in the integral equation are examined. It is concluded that the kernels are well behaved and that wind velocity profiles can be recovered using standard inversion techniques.
We present two new types of measurements that can be made with diffusing-wave spectroscopy (DWS), a form of dynamic light scattering that applies in limit of strong multiple scattering. The first application is to measure the frequency-dependent linear viscoelastic moduli of complex fluids using light scattering. This is accomplished by measuring the mean square displacement of probe particles using DWS. Their response to thermal fluctuations is determined by the fluctuation-dissipation relation, and is controlled by the response of the surrounding complex fluid. This response can be described in terms of a memory function, which is directly related to the complex elastic modulus of the system. Thus by measuring the mean square displacement, we are able to determine the frequency dependent modulus. The second application is the measurement of shape fluctuations of scattering particles. This is achieved by generalizing the theory for DWS to incorporate the effects if amplitude fluctuations in the scattering intensity of the particles. We apply this new method to study the thermally induced fluctuations in the shape of spherical emulsion droplets whose geometry is controlled by surface tension.
Exciton-mediated quantum state transfer between the periphery and the core of an extended dendrimer is investigated numerically. By mapping the dynamics onto that of a linear chain, it is shown that a localization-delocalization transition arises for a critical value of the generation number G{sub c} ≈ 5. This transition originates in the quantum interferences experienced by the excitonic wave due to the multiple scatterings that arise each time the wave tunnels from one generation to another. These results suggest that only small-size dendrimers could be used for designing an efficient quantum communication protocol.
We report the results of our analysis of the H II region around ζ Oph based on far-ultraviolet (FUV) spectral imaging observations, together with data made in other wavelengths. We found that scattering by dust grains of the FUV photons, which originate mostly from ζ Oph, dominates the FUV emission in this region, while contributions from the two-photon effects and molecular hydrogen fluorescence are not negligible. Unlike the Hα image, which shows dark shadows of the molecular clouds on the extended diffuse background, the FUV continuum image is featureless with a smooth intensity that decreases outward from the center, which is attributed to multiple scattering of photons originating from a single star that smears out the shape of the scattering dust clouds. Molecular hydrogen fluorescence emission is enhanced at the boundary of the H II region, especially in LDN 204 at its closest region facing ζ Oph. The region has a high temperature of ∼1000 K as well as high atomic and molecular hydrogen content with n {sub H} = ∼10{sup 1.8} cm{sup –3} and N(H{sub 2}) = ∼10{sup 22} cm{sup –2}, respectively. Photoionization and dust-scattering simulations are conducted with the effects of molecular clouds included, and the results are compared with the corresponding Hα and FUV observations. The results suggest that the molecular clouds reside close to the H II region in front of ζ Oph and that they may partially overlap with the H II region.
Abstract not provided
Photon imaging for MeV gammas has serious difficulties due to huge backgrounds and unclearness in images, which originate from incompleteness in determining the physical parameters of Compton scattering in detection, e.g., lack of the directional information of the recoil electrons. The recent major mission/instrument in the MeV band, Compton Gamma Ray Observatory/COMPTEL, which was Compton Camera (CC), detected a mere ∼30 persistent sources. It is in stark contrast with the ∼2000 sources in the GeV band. Here we report the performance of an Electron-Tracking Compton Camera (ETCC), and prove that it has a good potential to break through this stagnation in MeV gamma-ray astronomy. The ETCC provides all the parameters of Compton-scattering by measuring 3D recoil electron tracks; then the Scatter Plane Deviation (SPD) lost in CCs is recovered. The energy loss rate (dE/dx), which CCs cannot measure, is also obtained, and is found to be helpful to reduce the background under conditions similar to those in space. Accordingly, the significance in gamma detection is improved severalfold. On the other hand, SPD is essential to determine the point-spread function (PSF) quantitatively. The SPD resolution is improved close to the theoretical limit for multiple scattering of recoil electrons. With such a well-determined PSF, we demonstrate for the first time that it is possible to provide reliable sensitivity in Compton imaging without utilizing an optimization algorithm. As such, this study highlights the fundamental weak-points of CCs. In contrast we demonstrate the possibility of ETCC reaching the sensitivity below 1 × 10{sup −12} erg cm{sup −2} s{sup −1} at 1 MeV.
The dd → {sup 3}He n reaction is considered at the energies between 200 and 520 MeV. The calculations are performed within relativistic multiple scattering model based on the Alt-Grassberger-Sandhas equations. The angular dependences of the differential cross section and vector and tensor analyzing powers are given in comparison with the experimental data.
We present a large survey of giant pulses from the Crab Pulsar as observed with the first station of the Long Wavelength Array. Automated methods for detecting giant pulses at low frequencies where scattering becomes prevalent are also explored. More than 1400 pulses were detected across four frequency bands between 20 and 84 MHz over a seven-month period beginning in 2013, with additional followup observations in late 2014 and early 2015. A handful of these pulses were detected simultaneously across all four frequency bands. We examine pulse characteristics, including pulse broadening and power law indices for amplitude distributions. We find that the flux density increases toward shorter wavelengths, consistent with a spectral turnover at 100 MHz. Our observations uniquely span multiple scattering epochs, manifesting as a notable trend in the number of detections per observation. These results are characteristic of the variable interface between the synchrotron nebula and the surrounding interstellar medium.