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At least 73 records · Page 4

Deep learning of interface structures from simulated 4D STEM data: cation intermixing vs. roughening ∗

Abstract Interface structures in complex oxides remain an active area of condensed matter physics research, largely enabled by recent advances in scanning transmission electron microscopy (STEM). Yet the nature of the STEM contrast in which the structure is projected along the given direction precludes separation of possible structural models. Here, we utilize deep convolutional neural networks (DCNN) trained on simulated 4D STEM datasets to predict structural descriptors of interfaces. We focus on the widely studied interface between LaAlO 3 and SrTiO 3 , using dynamical diffraction theory and leveraging high performance computing to simulate thousands of possible 4D STEM datasets to train the DCNN to learn properties of the underlying structures on which the simulations are based. We test the DCNN on simulated data and show that it is possible (with >95% accuracy) to identify a physically rough from a chemically diffuse interface and create a DCNN regression model to predict step positions. We quantify the applicability of the model to different thicknesses and the transferability of the approach. The method shown here is general and can be applied for any inverse imaging problem where forward models are present.

42 ENGINEERING↗

Large Angle Rocking Beam Electron Diffraction Utilizing Electron Direct Detector

Electron diffraction of a crystal is fundamentally a function of the potential of that crystal. The intensity of electron diffraction patterns is, as a result, sensitive to the charge density of atoms and bonding inside crystals. Experimentally, the traditional method to probe this information is quantitative Convergent Beam Electron Diffraction (CBED). Quantitative CBED or QCEBD is a method which uses dynamic diffraction theory to quantify CBED intensities and to extract information about crystal structure and bonding. The sensitivity of dynamical scattering is leveraged to measure crystal symmetry and crystal structure factors. At its limit, electron structure factors are measured at high accuracy allowing access to chemical bonding information, which corroborate theoretical calculations through multipole model refinements of the experimental charge density. The primary limit to QCBED is the requirement of a non-overlapping convergent beam. This subsequently limits QCBED to crystals with small unit cells which are stable under the focused probe.

Busch, Robert↗

FiXR : a framework to reconstruct fiber cross-sections from X-ray fiber diffraction experiments

Ab initio reconstruction methods have revolutionized the capabilities of small-angle X-ray scattering (SAXS), allowing the data-driven discovery of previously unknown molecular conformations, exploiting optimization heuristics and assumptions behind the composition of globular molecules. While these methods have been successful for the analysis of small particles, their impact on fibrillar assemblies has been more limited. The micrometre-range size of these assemblies and the complex interaction of their periodicities in their scattering profiles indicate that the discovery of fibril structures from SAXS measurements requires novel approaches beyond extending existing tools for molecular discovery. In this work, it is proposed to use SAXS measurements, together with diffraction theory, to infer the electron distribution of the average cross-section of a fiber. This cross-section is modeled as a discrete electron density with continuous support, allowing representations beyond binary distributions. Additional constraints, such as non-negativity or smoothness/connectedness, can also be added to the framework. The proposed approach is tested using simulated SAXS data from amyloid β fibril models and using measured data of Tobacco mosaic virus from SAXS experiments, recovering the geometry and density of the cross-sections in all cases. The approach is further tested by analyzing SAXS data from different amyloid β fibril assemblies, with results that are in agreement with previously proposed models from cryo-EM measurements. The limitations of the proposed method, together with an analysis of the robustness of the method and the combination with different experimental sources, are also discussed.

Biochemistry & Molecular Biology↗

Two-beam Bragg diffraction, filtering, and delays

We summarize transmission and reflection amplitudes of Bragg-crystals based on two-beam Bragg diffraction theory. Then, we consider a specific case of infinitely thick and symmetrical Bragg-crystal and its reflective properties in spectral and angular domain. We obtain analytical expressions for filtering width and respective delay amplitudes, temporal delay from spectral phase shift and spatial displacement from angular phase shift.

43 PARTICLE ACCELERATORS↗

Analysis of a dual-reflector antenna system using physical optics and digital computers

The application of physical-optics diffraction theory to a deployable dual-reflector geometry is discussed. The methods employed are not restricted to the Conical-Gregorian antenna, but apply in a general way to dual and even multiple reflector systems. Complex vector wave methods are used in the Fresnel and Fraunhofer regions of the reflectors. Field amplitude, phase, polarization data, and time average Poynting vectors are obtained via an IBM 360/91 digital computer. Focal region characteristics are plotted with the aid of a CalComp plotter. Comparison between the GSFC Huygens wavelet approach, JPL measurements, and JPL computer results based on the near field spherical wave expansion method are made wherever possible.

Schmidt, R. F.↗

Coherent optical instrumentation for measurements of particle parameters

The application of cross-beam Laser Doppler Velocimeter (LDV) for sizing small particles was investigated from September 1973 to August 1974. Theoretical results were obtained by analyzing the scattering characteristics of small particles in a cross-beam LDV system. Theoretical calculations based on scalar diffraction theory and Mie scattering theory were performed. Experimental results were also obtained to compare with theoretical predictions. It is concluded that the forward scattering characteristics of small particles in a cross-beam LDV system can be used for particle sizing.

Chu, W. P.↗

Spectrometric properties of crystals for X-ray astronomy. I

Preliminary results are reported on measurements of X-ray reflection coefficients, rocking-curve width estimates, and factors that influence these for KAP, EDDT, and ADP crystals. The agreement between parameters measured in the authors' laboratory and others over a period of some ten years, and the uniformity among the authors' samples, indicate that KAP as commercially supplied is amenable to a single theoretical description. This permits application of X-ray diffraction theory, which outlined and compared to measurements with good agreement.

Burek, A. J.↗

Diffraction analysis of Doppler signal characteristics for a cross-beam laser Doppler velocimeter

Based on scalar diffraction theory, single particle scattering characteristics for a cross-beam laser Doppler velocimeter (LDV) have been computed for different particle sizes under varied instrumentation configurations. The modulating component of the scattered signal has been shown to depend upon particle size, shape, and collecting aperture for a given probe volume fringe spacing. Experimental verifications of some of the predictions are presented, and some of the limitations using an LDV as a particle sizing instrument are discussed.

Robinson, D. M.↗

Measurement and modeling of land mobile satellite propagation at UHF and L-band

A propagation experiment is described in which a stratospheric balloon served as a transmitter platform at 870 and 1502 MHz in simulation of a land mobile satellite. A vehicle followed the drifting balloon along roads of western Texas and New Mexico, collecting at L-band amplitude and phase, and at UHF amplitude information only for elevation angles between 25 and 45 deg. The data obtained have been analyzed and are presented along with results from modeling of multipath scattering and roadside tree attenuation. The signal, with variations caused by multipath propagation and tree shadowing, was reduced by 3 dB at L-band and 2 dB at UHF for one percent of all locations. A median ratio of 3.9 was found between peak-to-peak phase (degrees) and power (dB) fluctuations. The ratio between L-band and UHF dB attenuation averages varied from 1.3 to 1.0 at fade levels from 6 to 23 dB. Optical sky brightness was measured and used to predict fade distribution with great accuracy. A single-scatterer multipath model is introduced. It is used to duplicate some of the measured data and to show the dependence of power variations on satellite elevation angle. Using Fresnel diffraction theory, the attenuation caused by a model tree was calculated to be near 10 dB and the maximum fade was found to increase by the logarithm of the number of branches.

Vogel, Wolfhard J.↗

Fresnel diffraction by spherical obstacles

Lommel functions were used to solve the Fresnel-Kirchhoff diffraction integral for the case of a spherical obstacle. Comparisons were made between Fresnel diffraction theory and Mie scattering theory. Fresnel theory is then compared to experimental data. Experiment and theory typically deviated from one another by less than 10 percent. A unique experimental setup using mercury spheres suspended in a viscous fluid significantly reduced optical noise. The major source of error was due to the Gaussian-shaped laser beam.

Hovenac, Edward A.↗

Influence of atmospherically induced random wave fronts on diffraction imagery - A computer simulation model for testing image reconstruction algorithms

This paper is devoted to the development of a two-dimensional computer-simulation model that is based on the rigid constraints of optical diffraction theory with careful attention paid to the generation of sample realizations of Gaussian-distributed, spatially random, isotropic wave fronts that have zero-mean and prescribed-covariance functions. Given a sample realization of the wave front, the corresponding centered point-spread function and optical-transfer function are evaluated. A detailed study is made of the statistics of random wave-front tilt, point-spread function, modulus squared of transfer function, and phase of transfer function.

Barakat, Richard↗

Radiative properties of visible and subvisible Cirrus: Scattering on hexagonal ice crystals

One of the main objectives of the First International Satellite Cloud Climatology Project (ISCCP) Regional Experiment (FIRE) is to provide a better understanding of the physics of upper level clouds. The focus is on just one specific aspect of cirrus physics, namely on characterizing the radiative properties of single, nonspherical ice particles. The basis for further more extensive studies of the radiative transfer through upper level clouds is provided. Radiation provides a potential mechanism for strong feedback between the divergence of in-cloud radiative flux and the cloud microphysics and ultimately on the dynamics of the cloud. Some aspects of ice cloud microphysics that are relevant to the radiation calculations are described. Next, the Discrete Dipole Approximation (DDA) is introduced and some new results of scattering by irregular crystals are presented. The Anomalous Diffraction Theory (ADT) was adopted to investigate the scattering properties of even larger crystals. In this way the scattering properties of nonspherical particles were determined over a range of particle sizes.

Flatau, Piotr J.↗

The effects of small ice crystals on cirrus infrared radiative properties

Using a model that combines single-scattering properties for spheroidal and hexagonal ice crystals, the thermal infrared radiative properties of cirrus clouds have been investigated. Infrared scattering and absorption properties for randomly oriented spheroids and hexagons are parameterized based on the anomalous diffraction theory and a geometric ray-tracing method, respectively. Using observed ice crystal size distributions, upwelling radiances at the top of cirrus cloudy atmospheres have been computed. Results show that the presence of small ice crystals can produce significant brightness temperature differences between two infrared wavelengths in the 10-micron window. Theoretical results have been compared with observed brightness temperature differences between 8.35 and 11.16 microns and between 11.16 and 12 microns. The observed values were obtained from the high-spectral resolution interferometer sounder. It is shown that the use of the present nonspherical model for ice crystals in radiative transfer calculations leads to a significantly better interpretation of the observed data than does the use of the spherical model.

Takano, Y.↗

The 24 GHz measurements of 2.2 lambda conical horn antennas illuminating a conducting sheet

Monostatic reflection-coefficient magnitude, absolute value of Gamma, measurements occurring between a radiating horn and a metal reflecting plate are presented for a family of three 2.2 lambda diameter conical horn antennas. The three horns have different aperture phase deviations: 6 deg, 22.5 deg, and 125 deg. Measurements of the magnitude of absolute value of Gamma as a function of horn-plate separation (d) extend from an effective antenna aperture short (d = O) to beyond the far-field boundary (d = 2D(sup 2)/lambda, where D is the antenna diameter). Measurement data are presented with various physical environments for each of the horns. Measured scalar data are compared with theoretical data from two models, a numerical model for a circular waveguide aperture in a ground plane and a scalar diffraction theory model. This work was conducted in support of the development effort for a spaceborne multifrequency microwave reflectometer designed to accurately determine the distance from a space vehicle's surface to a reflecting plasma boundary. The metal reflecting plate was used to simulate the RF reflectivity of a critically dense plasma. The resulting configuration, a ground plane mounted aperture facing a reflecting plane in close proximity, produces a strong interaction between the ground plane and the reflecting plate, especially at integral half-wavelength separations. The transition coefficient is characterized by large amplitude variations.

Cross, A. E.↗

A model predicting the evolution of ice particle size spectra and radiative properties of cirrus clouds. Part 2: Dependence of absorption and extinction on ice crystal morphology

This study builds upon the microphysical modeling described in Part 1 by deriving formulations for the extinction and absorption coefficients in terms of the size distribution parameters predicted from the micro-physical model. The optical depth and single scatter albedo of a cirrus cloud can then be determined, which, along with the asymmetry parameter, are the input parameters needed by cloud radiation models. Through the use of anomalous diffraction theory, analytical expressions were developed describing the absorption and extinction coefficients and the single scatter albedo as functions of size distribution parameters, ice crystal shapes (or habits), wavelength, and refractive index. The extinction coefficient was formulated in terms of the projected area of the size distribution, while the absorption coefficient was formulated in terms of both the projected area and mass of the size distribution. These properties were formulated as explicit functions of ice crystal geometry and were not based on an 'effective radius.' Based on simulations of the second cirrus case study described in Part 1, absorption coefficients predicted in the near infrared for hexagonal columns and rosettes were up to 47% and 71% lower, respectively, than absorption coefficients predicted by using equivalent area spheres. This resulted in single scatter albedos in the near-infrared that were considerably greater than those predicted by the equivalent area sphere method. Reflectances in this region should therefore be underestimated using the equivalent area sphere approach. Cloud optical depth was found to depend on ice crystal habit. When the simulated cirrus cloud contained only bullet rosettes, the optical depth was 142% greater than when the cloud contained only hexagonal columns. This increase produced a doubling in cloud albedo. In the near-infrared (IR), the single scatter albedo also exhibited a significant dependence on ice crystal habit. More research is needed on the geometrical properties of ice crystals before the influence of ice crystal shape on cirrus radiative properties can be adequately understood. This study provides a way of coupling the radiative properties of absorption, extinction, and single scatter albedo to the microphysical properties of cirrus clouds. The dependence of extinction and absorption on ice crystal shape was not just due to geometrical differences between crystal types, but was also due to the effect these differences had on the evolution of ice particle size spectra. The ice particle growth model in Part 1 and the radiative properties treated here are based on analytical formulations, and thus represent a computationally efficient means of modeling the microphysical and radiative properties of cirrus clouds.

Mitchell, David L.↗

Is the magnetosphere a lens for MHD waves?

A viewpoint of the magnetosphere as a lens for MHD waves is presented. Using a simple model of the variation of the Alfven speed as proportional to the local magnetic value given by the Earth's dipole field and that due to the magnetopause currents represented by a current loop, it is found that the near-Earth magnetotail, in the range 8-16 R(sub E), is the focus of the magnetospheric lens. This location is found to be quite insensitive to a wide variation of parameters. By using simple diffraction theory analysis it is found that the focal region extends about 1 R(sub E) about the neutral sheet in the north-south plane and 0.2 - 0.5 R(sub E) along the Sun-Earth line. Compressive MHD waves carried by the solar wind or created by the interaction of the wind with the magnetopause can be amplified by a factor of about 100 in the focal region and this has potentially important implications to substorm activity.

Papadopoulos, K.↗