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At least 595 records · Page 33

Symmetry assessment of an air-blast atomizer spray

This study represents an evaluation of the extent to which conventional and recently introduced modern diagnostics can assess the symmetry of sprays formed by three atomizers of identical design. The conventional diagnostics include sheet-lit photography, patternation, and laser diffraction. The modern diagnostic is laser interferometry (phase Doppler). Symmetry is assessed in ambient conditions for four atomizer orientations, and comparisons are made between the diagnostic techniques. The results demonstrate that conventional and modern diagnostics are consistent in the assessment of symmetry, patternation and phase Doppler are most effective in establishing symmetry of mass flux, and phase Doppler, although more tedious to employ, provides the additional information necessary to establish the sources of detected asymmetries in terms of nonuniformities in droplet velocities, size distributions, volume flux, and concentration.

Mcdonnell, V. G.↗

Accurate and Data‐Efficient Micro X‐ray Diffraction Phase Identification Using Multitask Learning: Application to Hydrothermal Fluids

Traditional analysis of highly distorted micro X‐ray diffraction (μ‐XRD) patterns from hydrothermal fluid environments is a time‐consuming process, often requiring substantial data preprocessing and labeled experimental data. Herein, the potential of deep learning with a multitask learning (MTL) architecture to overcome these limitations is demonstrated. MTL models are trained to identify phase information in μ‐XRD patterns, minimizing the need for labeled experimental data and masking preprocessing steps. Notably, MTL models show superior accuracy compared to binary classification convolutional neural networks. Additionally, introducing a tailored cross‐entropy loss function improves MTL model performance. Most significantly, MTL models tuned to analyze raw and unmasked XRD patterns achieve close performance to models analyzing preprocessed data, with minimal accuracy differences. This work indicates that advanced deep learning architectures like MTL can automate arduous data handling tasks, streamline the analysis of distorted XRD patterns, and reduce the reliance on labor‐intensive experimental datasets.

97 MATHEMATICS AND COMPUTING↗

Perfection of Apoferritin Crystals: An Advanced X-Ray Imaging and Diffraction Study

Ferritin is a well-known iron-storage protein, and is a spherical shell that consists of 24 identical subunits packed in a 432 symmetry. The typically large protein size and its distinction from lysozyme as to chemical and physical characteristics make ferritin an attractive model protein for crystal growth and perfection investigation-as an alternative to the most widely studied lysozyme. In this contribution, the latest results obtained from coherence-based x-ray diffraction imaging and diffraction experiments will be presented on octahedral apoferritin (a demetalized form of ferritin) crystals grown from various growth conditions. Crystal specimens, which have the measured rocking-curve widths varying from a few arcseconds to several tens arcseconds (or more), are comparatively examined by intrinsically highly sensitive mapping of lattice perfection and defects. The richness of the observed defects and growth features offers insight into perfection and growth of protein crystals. Beautiful interference fringe patterns formed in diffraction images and fine oscillation structure of rocking curves observed will be discussed for understanding of physical origins and the underlying impact.

Hu, Z. W.↗

Defining X-Ray Diffraction Parameters for the Design and Operation of a Planetary-Surface Rock Analyzer

Our joint research effort was aimed at developing techniques for X-ray diffractometry that was being investigated by NASA as possible flight instrumentation for the exploration of Mars. SJSU would provide the use of in-house X-ray facilities for calibration of the instrumentation , and would provide technical expertise regarding interpretation of data acquired during both laboratory testing, and during field testing of instruments on the Marsokhod rover at Ames. Accomplishments are: (1) quantification of X-ray signals from rock surfaces using San Jose State University (SJSU) diffractometer; (2) development of criteria for fingerprinting rock samples using pattern recognition of diffraction spectra, and augmentation of diffraction data with X-ray fluorescence information; (3) calibration of NASA instrumentation using SJSU-generator data; and (4) assistance in the development, lab testing, and field deployment of the NASA instrument on the Russian Marsokhod roving vehicle designed for martian exploration.

Metzger, Ellen P.↗

A unifying Bayesian framework for merging X-ray diffraction data

Novel X-ray methods are transforming the study of the functional dynamics of biomolecules. Key to this revolution is detection of often subtle conformational changes from diffraction data. Diffraction data contain patterns of bright spots known as reflections. To compute the electron density of a molecule, the intensity of each reflection must be estimated, and redundant observations reduced to consensus intensities. Systematic effects, however, lead to the measurement of equivalent reflections on different scales, corrupting observation of changes in electron density. Here, we present a modern Bayesian solution to this problem, which uses deep learning and variational inference to simultaneously rescale and merge reflection observations. We successfully apply this method to monochromatic and polychromatic single-crystal diffraction data, as well as serial femtosecond crystallography data. We find that this approach is applicable to the analysis of many types of diffraction experiments, while accurately and sensitively detecting subtle dynamics and anomalous scattering.

59 BASIC BIOLOGICAL SCIENCES↗

Superlattice reflection signatures of the insulator–metal transition in V 3 O 5 thin films

Nanoelectronic systems that are inspired by the brain are increasingly looking to insulator–metal transition (IMT) materials as they can mimic the response characteristics of neurons to temperature changes so that these can be used in robotic and computational applications. V 3 O 5 has an insulator–metal transition at ∼430 or ∼80 K higher than VO 2 and provides a unique high-temperature opportunity for these types of applications. Here, in this work, we track the structural evolution of V 3 O 5 thin films across the IMT through conventional selected-area electron diffraction (SAED) and four-dimensional scanning TEM (4D-STEM), correlated with temperature-dependent resistance measurements. SAED patterns show reversible evidence of superlattice reflections associated with the IMT—present below T IMT and absent above it—consistent with the accompanying drop in resistance. At room temperature, nanobeam electron diffraction patterns further reveal three local configurations: (i) type I regions with clean patterns lacking superlattice reflections and spot splitting; (ii) type II regions exhibiting rows of superlattice reflections and split spots indicative of crystallographic variants; and (iii) type III regions with negligible superlattice reflections but larger spot splitting suggestive of overlapping domains of insulating and conducting phases likely driven by local lattice distortions. Upon heating, the superlattice reflections disappear between 413 and 453 K, concurrent with the resistance drop at T IMT , consistent with the emergence of a conducting phase. The overall diffraction geometry remains essentially unchanged up to 573 K, implying that relative domain orientations persist through the transition. These observations reveal nanoscale structural heterogeneity in V 3 O 5 thin films across the IMT and inform operation in regimes where mixed-phase textures are expected. A plausible indexing framework rationalizing the observed geometries is presented in the Discussion section, alongside its limitations and alternative interpretations.

25 ENERGY STORAGE↗

Double grating shearing interferometry for X-ray free-electron laser beams

The advancements in bright and coherent X-ray free-electron lasers (XFEL) have in the last decade revolutionized diverse fields of study, leading to an ever-increasing demand in more intense X-ray pulses. The accurate knowledge of the wavefront and the focal profile of such pulses ultimately dictates much of the experimental outcome.Herewe present a singleshot shearing interferometry method to measure the wavefront of a focused hardXFELpulse.Twoidentical transmission gratings are placed near the focus, and the interference pattern of overlapping diffraction orders is analyzed, resulting in a two-dimensional reconstruction of the X-ray wavefront. The spatial resolution and wavefront sensitivity can be tuned insitu during the measurement. The method is non-invasive (i.e., the zeroth order or transmitted pulse is not modified in intensity or profile), allowing for either a simultaneous intensity measurement at high resolution or a fully characterized transmitted pulse for general experimental use.

47 OTHER INSTRUMENTATION↗

Growing Gallium Arsenide On Silicon

Epitaxial layers of high quality formed on <111> crystal plane. Present work reports successful growth of 1- and 2-micrometer thick layers of n-type, 7-ohms per cm, 2-inch diameter, Si<111> substrate. Growth conducted in Riber-2300(R) MBE system. Both doped and undoped layers of GaAs grown. Chamber equipped with electron gun and camera for in-situ reflection high-energy-electron diffraction measurements. RHEED patterns of surface monitored continuously during slow growth stage.

Radhakrishnan, Gouri↗

Two-dimensional high temperature strain measurement system

Two-dimensional optical strain measurements on high temperature test specimens are presented. This two-dimensional capability is implemented through a rotatable sensitive strain axis. Three components of surface strain can be measured automatically, from which the first and second principal strains are calculated. One- and two-dimensional strain measurements at temperatures beyond 750 C with a resolution of 15 microstrain are demonstrated. The system is based on a one-dimensional speckle shift technique. The speckle shift technique makes use of the linear relationship between surface strain and the differential shift of laser speckle patterns in the diffraction plane. Laser speckle is a phase effect that occurs when spatially coherent light interacts with an optically rough surface. Since speckle is generated by any diffusely reflecting surface, no specimen preparation is needed to obtain a good signal. Testing was done at room temperature on a flat specimen of Inconel 600 mounted in a fatigue testing machine. A load cell measured the stress on the specimen before and after acquiring the speckle data. Strain components were measured at 0 C (parallel to the load axis) and at plus or minus 45 C, and plots indicate the calculated values of the first and second principal strains. The measured values of Young's modulus and Poisson's ratio are in good agreement with handbook values. Good linearity of the principal strain moduli at high temperatures indicate precision and stability of the system. However, a systematic error in the high-temperature test setup introduced a scale factor in the slopes of the two-dimensional stress-strain curves. No high temperature effects, however, have been observed to degrade speckle correlation.

Lant, Christian T.↗

Sensor for Boundary Shear Stress in Fluid Flow

The formation of scour patterns at bridge piers is driven by the forces at the boundary of the water flow. In most experimental scour studies, indirect processes have been applied to estimate the shear stress using measured velocity profiles. The estimations are based on theoretical models and associated assumptions. However, the turbulence flow fields and boundary layer in the pier-scour region are very complex and lead to low-fidelity results. In addition, available turbulence models cannot account accurately for the bed roughness effect. Direct measurement of the boundary shear stress, normal stress, and their fluctuations are attractive alternatives. However, most direct-measurement shear sensors are bulky in size or not compatible to fluid flow. A sensor has been developed that consists of a floating plate with folded beam support and an optical grid on the back, combined with a high-resolution optical position probe. The folded beam support makes the floating plate more flexible in the sensing direction within a small footprint, while maintaining high stiffness in the other directions. The floating plate converts the shear force to displacement, and the optical probe detects the plate s position with nanometer resolution by sensing the pattern of the diffraction field of the grid through a glass window. This configuration makes the sensor compatible with liquid flow applications.

Bao, Xiaoqi↗

CheMin Instrument Performance and Calibration on Mars

The CheMin (Chemistry and Mineralogy) instrument on the Mars Science Laboratory rover Curiosity uses a CCD detector and a Co-anode X-ray tube source to acquire both mineralogy (from the pattern of Co diffraction) and chemical information (from energies of fluoresced X-rays). A key component of the CheMin instrument is the ability to move grains within sample cells during analysis, providing multiple, random grain orientations that disperse diffracted X-ray photons along Debye rings rather than producing discrete Laue spots. This movement is accomplished by piezoelectric vibration of the sample cells. A cryocooler is used to maintain the CCD at a temperature at about -50 C in order to obtain energy resolution better than 250 eV, allowing discrimination of diffracted Co K X-rays from Fe K and other fluorescent X-rays. A detailed description of CheMin is provided in [1]. The CheMin flight model (FM) is mounted within the body of Curiosity and has been operating on Mars since August 6, 2012. An essentially identical sister instrument, the CheMin demonstration model (DM), is operated in a Mars environment chamber at JPL.

Vaniman, D. T.↗

Crystallographic variant mapping using precession electron diffraction data

In this work, we developed three methods to map crystallographic variants of samples at the nanoscale by analyzing precession electron diffraction data using a high-temperature shape memory alloy and a VO2 thin film on sapphire as the model systems. The three methods are (I) a user-selecting-reference pattern approach, (II) an algorithm-selecting-reference-pattern approach, and (III) a k-means approach. In the first two approaches, Euclidean distance, Cosine, and Structural Similarity (SSIM) algorithms were assessed for the diffraction pattern similarity quantification. We demonstrated that the Euclidean distance and SSIM methods outperform the Cosine algorithm. We further revealed that the random noise in the diffraction data can dramatically affect similarity quantification. Denoising processes could improve the crystallographic mapping quality. With the three methods mentioned above, we were able to map the crystallographic variants in different materials systems, thus enabling fast variant number quantification and clear variant distribution visualization. The advantages and disadvantages of each approach are also discussed. We expect these methods to benefit researchers who work on martensitic materials, in which the variant information is critical to understand their properties and functionalities.

Crystallographic variant mapping↗

Diffractive Multiplexing for High-Throughput Roll-to-Roll Laser Patterning of Flexible Organic Photovoltaic Modules (Final Report)

The purpose of this project is to demonstrate a cost-effective, high-throughput roll-to-roll (R2R) process for patterning of flexible, semitransparent organic photovoltaic (OPV) modules by developing diffractive optics-based laser multiplexing (DOL Multiplexing). DOL Multiplexing allows a single, high-powered laser source to perform parallel scribing across the R2R web width in a manner compatible with high process speeds. Such a process could have enormous benefits in terms of increased process speeds and reduced costs, both up-front capital costs, and long-term operational costs, over galvanometer-based step and scan methods or many-laser systems.

14 SOLAR ENERGY↗

RCS analysis and reduction for lossy dihedral corner reflectors

The radar-cross-section (RCS) patterns of lossy dihedral corner reflectors are calculated, using a uniform geometrical theory of diffraction for impedance surfaces. All terms of up to third-order reflections and diffractions are considered for patterns in the principal plane. The surface waves are included whenever they exist for reactive surface impedances. The dihedral corner reflectors examined have right, obtuse, and acute interior angles, and patterns over the entire 360 deg azimuthal plane are calculated. The surface impedances can be different on the four faces of the dihedral corner reflector; however, the surface impedance must be uniform over each face. Computed cross sections are compared with the results of a moment-method technique for a dielectric/ferrite absorber coating on a metallic corner reflector.

Griesser, Timothy↗

LDRD 226360 Final Project Report: Simulated X-ray Diffraction and Machine Learning for Optimizing Dynamic Experiment Analysis

This report is the final documentation for the one-year LDRD project 226360: Simulated X-ray Diffraction and Machine Learning for Optimizing Dynamic Experiment Analysis. As Sandia has successfully developed in-house X-ray diffraction tools for study of atomic structure in experiments, it has become increasingly important to develop computational analysis methods to support these experiments. When dynamically compressed lattices and orientations are not known a priori, the identification requires a cumbersome and sometimes intractable search of possible final states. These final states can include phase transition, deformation and mixed/evolving states. Our work consists of three parts: (1) development of an XRD simulation tool and use of traditional data science methods to match XRD patterns to experiments; (2) development of ML-based models capable of decomposing and identifying the lattice and orientation components of multicomponent experimental diffraction patterns; and (3) conducting experiments which showcase these new analysis tools in the study of phase transition mechanisms. Our target material has been cadmium sulfide, which exhibits complex orientation-dependent phase transformation mechanisms. In our current one-year LDRD, we have begun the analysis of high-quality c-axis CdS diffraction data from DCS and Thor experiments, which had until recently eluded orientation identification.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Characteristics of Double Exponentially Tapered Slot Antenna (DETSA) Conformed in the Longitudinal Direction Around a Cylindrical Structure

The characteristics of a double exponentially tapered slot antenna (DETSA) as a function of the radius that the DETSA is conformed to in the longitudinal direction is presented. It is shown through measurements and simulations that the radiation pattern of the conformed antenna rotates in the direction through which the antenna is curved, and that diffraction affects the radiation pattern if the radius of curvature is too small or the frequency too high. The gain of the antenna degrades by only 1 dB if the radius of curvature is large and more than 2 dB for smaller radii. The main effect due to curving the antenna is an increased cross-polarization in the E-plane.

Ponchak, George E.↗