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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 523 records · Page 29

Geometrical quasi-ballistic effects on thermal transport in nanostructured devices

In this work, we employ thermoreflectance thermal imaging to directly measure the steady-state two-dimensional (2D) temperature field generated by nanostructured heat sources deposited on silicon substrate with different geometrical configurations and characteristic sizes down to 400nm. The analysis of the results using Fourier’s law not only breaks down as size scales down, but it also fails to capture the impact of the geometry of the heat source. The substrate effective Fourier thermal conductivities fitted to wire-shaped and circular-shaped structures with identical characteristic lengths are found to display up to 40% mismatch. Remarkably, a hydrodynamic heat transport model reproduces the observed temperature fields for all device sizes and shapes using just intrinsic Si parameters, i.e., a geometry and size-independent thermal conductivity and nonlocal length scale. The hydrodynamic model provides insight into the observed thermal response and of the contradictory Fourier predictions. We discuss the substantial Silicon hydrodynamic behavior at room temperature and contrast it to InGaAs, which shows less hydrodynamic effects due to dominant phonon-impurity scattering.

42 ENGINEERING↗

Soil porous microstructure control over soil organic matter mobility: A multimethod workflow for understanding chemistry-dependent organic matter binding in soil

Soil organic matter (SOM) has attracted a great deal of interest; particularly for its potential to mitigate human derived CO 2 emissions. Studies have demonstrated that SOM plays a critical role in carbon storage and CO 2 sequestration. However, the sorption properties of SOM, which influence its transport in pore water and stabilization within the soil, remain poorly understood. This study develops a workflow to: (1) examine compound-specific advective and diffusive transport and desorption behaviors, (2) quantify desorption rates through stop-flow and continuous-flow column experiments, and (3) evaluate the impact of soil microporosity on SOM mobility using high-resolution imaging and extractions. Intact core column experiments were conducted on Uncultivated (Natural) and Cultivated soil samples, both were arid soils, collected in Washington State. X-ray computed tomography was employed to measure porosity and pore connectivity, while Fourier-transform ion cyclotron resonance mass spectrometry was used to analyze SOM composition. The findings revealed that cultivation increased total carbon and nitrogen levels due to irrigation and fertilization, enhancing carbon capture potential in arid soils. In contrast, the Natural soil, characterized by higher porosity and connectivity, contained more oxidized carbon. Pore network analysis indicated that soil compaction in the Cultivated soil may lead to longer diffusion pathways, significantly influencing SOM transport and stability.

Hydraulic Properties↗

Generation of Bright Soft X-ray Laser Beams (Final Report)

The project goal was to demonstrate new compact soft x-ray lasers emitting high energy ultrashort pulses at shorter wavelengths and increased repetition rates by amplification in atomic transitions in high density laser-created plasmas. To demonstrate these lasers we developed new high power solid state lasers. The project succeeded in demonstrating the shortest wavelength compact soft x-ray laser to date, 6.85 nm wavelength, and the highest repetition rate table-top soft x-ray laser, 400 Hz. We also applied these compact soft x-ray laser sources to determine the composition of materials with nanoscale resolution using a new technique that combines soft x-ray laser ablation with mass spectrometry, and we demonstrated that these lasers are capable of acquiring nanoscale resolution holograms with picosecond time resolution. The combination of an increased pumping efficiency with increased repetition rates can yield soft x-ray laser beams with an unprecedented average power on a table-top for applications demanding a high photon flux. We have demonstrated that the efficiency of plasma-based laser-pumped soft x-ray lasers can be significantly increased by detailed pulse shaping of the pump laser using a new pulse synthesizer. Results include the demonstration of 18.9 nm wavelength laser operation at a record 400 Hz repetition rate, and the extension of repetitive gain-saturated plasma-based table-top x-ray lasers to the shortest wavelength to date, 6.85 nm. Laser amplification was also observed at wavelengths as short at 5.8 nm by isolectronic scaling in Ni-like lanthanide ions. We have also conducted simulations to explore the possibility of demonstrating gain saturated atomic x-ray lasers near the carbon K-edge, in the “carbon window” for the first time. The work conducted under this program also includes the use of compact soft x-ray lasers in applications to problems of chemical interest, such as isotopic composition mapping of micron-size uranium particles with nanoscale resolution, and nanoscale resolution depth profiling analysis of CoNCN-coated electrodes for water oxidation catalysis. We also demonstrated single-shot high resolution soft x-ray Fourier transform holography over a broad 7 µm diameter field of view with ~ 5 ps temporal resolution.

74 ATOMIC AND MOLECULAR PHYSICS↗

Solar radiometry at millimeter wavelengths

In the area of resolution enhancement, the use of Fast Fourier Transform programs was investigated for possible application to millimeter wavelength maps of the sun. A difficulty arises with the La Posta maps in that they are limited to 35 arc-minutes square while the smeared out solar image is larger than that. A list of possible cometary emission lines near 13 millimeters is presented. Although preparation of the list was inspired by the appearance of Comet Kohoutek, the results are applicable to any future comet. The brightness temperature of the sun at 8.6 millimeters was measured using the moon as a calibration source. The result does not confirm a deep absorption feature as apparently observed by earlier workers.

Henze, W.↗

Investigation of radiometric properties of LANDSAT-4 MSS

Two full frames of radiometrically corrected (Type A) LANDSAT-4 MSS data were analyzed digitally and visually for evidence of residual calibration differences between detectors, quantization effects, and other sensor-related artifacts. Both standard statistical and Fourier analysis techniques were employed. Opportunities for coincident coverage by LANDSATS 3 and 4 were identified in the contiguous 48 states. Paired acquisitions for two scenes were obtained and analyzed to establish relationships between signal values from common areas imaged by the two MSS Systems. Initial findings on detector-to-detector differences, coherent noise, and LANDSAT 4 to LANDSAT 3 calibration are summarized. Results show that LANDSAT 4 MSS produces data of generally good quality with dynamic ranges and target responses similar to those of previous sensors.

Rice, D. P.↗

Investigation of Radiometric Properties of LANDSAT-4 MSS

Two full frames of radiometrically corrected (Type A) LANDSAT-4 MSS data were analyzed digitally and visually for evidence of residual calibration differences between detectors, quantization effects, and other sensor-related artifacts. Both standard statistical and Fourier analysis techniques were employed. Opportunities for coincident coverage by LANDSAT 3 and 4 were identified in the contiguous 48 states. Paired acquisitions for two scenes were obtained and analyzed to establish relatonships between signal values from common areas imaged by the MSS systems. Another pair with coverage by LANDSAT 2 and 4 was obtained and analyzed. Detector-to-detector differences, coherent noise, line length variation, and LANDSAT 4 to LANDSAT 3 calibration are discussed.

Rice, D. R.↗

Direct-Solve Image-Based Wavefront Sensing

A method of wavefront sensing (more precisely characterized as a method of determining the deviation of a wavefront from a nominal figure) has been invented as an improved means of assessing the performance of an optical system as affected by such imperfections as misalignments, design errors, and fabrication errors. The method is implemented by software running on a single-processor computer that is connected, via a suitable interface, to the image sensor (typically, a charge-coupled device) in the system under test. The software collects a digitized single image from the image sensor. The image is displayed on a computer monitor. The software directly solves for the wavefront in a time interval of a fraction of a second. A picture of the wavefront is displayed. The solution process involves, among other things, fast Fourier transforms. It has been reported to the effect that some measure of the wavefront is decomposed into modes of the optical system under test, but it has not been reported whether this decomposition is postprocessing of the solution or part of the solution process.

Lyon, Richard G.↗

The Calculation of Fractal Dimension in the Presence of Non-Fractal Clutter

The area of information processing has grown dramatically over the last 50 years. In the areas of image processing and information storage the technology requirements have far outpaced the ability of the community to meet demands. The need for faster recognition algorithms and more efficient storage of large quantities of data has forced the user to accept less than lossless retrieval of that data for analysis. In addition to clutter that is not the object of interest in the data set, often the throughput requirements forces the user to accept "noisy" data and to tolerate the clutter inherent in that data. It has been shown that some of this clutter, both the intentional clutter (clouds, trees, etc) as well as the noise introduced on the data by processing requirements can be modeled as fractal or fractal-like. Traditional methods using Fourier deconvolution on these sources of noise in frequency space leads to loss of signal and can, in many cases, completely eliminate the target of interest. The parameters that characterize fractal-like noise (predominately the fractal dimension) have been investigated and a technique to reduce or eliminate noise from real scenes has been developed. Examples of clutter reduced images are presented.

Herren, Kenneth A.↗

The fractional Fourier transform and applications

This paper describes the 'fractional Fourier transform', which admits computation by an algorithm that has complexity proportional to the fast Fourier transform algorithm. Whereas the discrete Fourier transform (DFT) is based on integral roots of unity e exp -2(pi)i/n, the fractional Fourier transform is based on fractional roots of unity e exp -2(pi)i(alpha), where alpha is arbitrary. The fractional Fourier transform and the corresponding fast algorithm are useful for such applications as computing DFTs of sequences with prime lengths, computing DFTs of sparse sequences, analyzing sequences with noninteger periodicities, performing high-resolution trigonometric interpolation, detecting lines in noisy images, and detecting signals with linearly drifting frequencies. In many cases, the resulting algorithms are faster by arbitrarily large factors than conventional techniques.

Bailey, David H.↗

Evaluation of Neutron-Radiation Tolerance of Lithium Indium Diselenide Semiconductors

Herein we discuss lithium indium diselenide (LISe) as a semiconductor that holds promise for neutron imaging sensor technologies because of its high neutron absorption efficiency and its corresponding ability to discriminate between gamma rays and neutrons. However, being a semiconductor, LISe may not be sufficiently radiation hard for practical application in radiation hard environments. Therefore, a systematic evaluation of the changes in material and electronic properties of LISe after high neutron fluence exposures is investigated. Herein, the characterization methods are utilized which included UV–vis, X-ray diffraction, radioluminescence, Raman, fourier transform infrared spectroscopy (FTIR), current–voltage, and neutron sensing. Characteristics of LISe material that appeared in the literature are identified herein along with several that are expected to appear based on theoretical analyses. The results obtained show clear changes in the material properties of LISe after neutron exposure up to a fluence of 10 16 n cm -2 . However, LISe is still able to sense neutrons above the background at 10 16 n cm -2 , suggesting that LISe may be suitable for use in neutron imaging sensors at neutron imaging facilities.

36 MATERIALS SCIENCE↗

Effects of Ionizing Radiation on the Thermodynamic Stability of Boehmite and Gibbsite

Here, in this study, we examined the effect of gamma radiation on the stabilities of aluminum hydroxide (gibbsite) and aluminum oxyhydroxide (boehmite) nanoparticles in relation to their thermal decomposition. X-ray diffraction (XRD) patterns and scanning electron microscopy (SEM) images revealed no significant differences in mineral components or morphology before and after radiation. However, thermogravimetric and differential scanning calorimetry (TGA/DSC) analyses showed that both boehmite and gibbsite nanoparticles experienced decreased mass loss following irradiation. Raman and attenuated total reflection-Fourier transfer infrared (ATR-FTIR) spectra indicated that a fraction of the hydroxyl content in both cases was selectively cleaved by radiation, primarily at the particle surfaces. Quantitative analyses of thermal mass loss behavior demonstrated that irradiated boehmite and gibbsite nanoparticles had higher activation energies than their pristine counterparts, with the extent of the increase dependent on the total dose. Taken together, these findings suggest that exposure to a sufficient dose of ionizing radiation alters these materials such that they are less prone to decomposition by dehydration. This increased stability may be due to the decreased hydrous nature of the samples after radiation exposure, which was supported by further high temperature drop calorimetry. Additionally, a radiation-induced amorphous phase on the nanoparticle surfaces appears to have a permanent and positive influence on their thermodynamic stabilities.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Theoretical and experimental analysis of the modulated phase grating X-ray interferometer

X-ray grating interferometry allows for the simultaneous acquisition of attenuation, differential-phase contrast, and dark-field images, resulting from X-ray attenuation, refraction, and small-angle scattering, respectively. The modulated phase grating (MPG) interferometer is a recently developed grating interferometry system capable of generating a directly resolvable interference pattern using a relatively large period grating envelope function that is sampled at a pitch that is small enough that X-ray spatial coherence can be achieved by using a microfocus X-ray source or G0 grating. We present the theory of the MPG interferometry system for a 2-dimensional staggered grating, derived using Fourier optics, and we compare the theoretical predictions with experiments we have performed with a microfocus X-ray system at Pennington Biomedical Research Center, LSU. The theoretical and experimental fringe visibility is evaluated as a function of grating-to-detector distance. Additionally, quantitative experiments are performed with porous carbon and alumina compounds, and the mean normalized dark-field signal is compared with independent porosimetry measurements. Qualitative analysis of attenuation and dark-field images of a dried anchovy are shown.

47 OTHER INSTRUMENTATION↗

Imaging interfacial topography with coherent x-ray reflectivity

The use of coherent x-ray reflectivity to image interfaces is illustrated using model calculations for three cases: a thin film, a semi-infinite substrate, and a coherently strained epitaxial thin film. The intensities and phases of the coherent scattering signals are calculated based on a fully atomistic model (where the phases are assumed to have been recovered by a phasing algorithm). Here, we describe the characteristics of the effective density that are obtained by direct inverse Fourier transformation of the complex structure factors, using a window function to define the data range. These effective densities include significant artifacts like oscillations and negative values derived from the finite vertical momentum transfer of the window function. Two approaches are described to extract the surface topography from the effective densities for three-dimensional visualization: (i) multiplying the effective density by a phase factor and (ii) analyzing the data as a hybrid structure factor F(x, Q z ). The explicit surface sensitivity and specificity of measurements is illustrated when the film or substrate Bragg peaks are excluded. These considerations show that images of interfacial topography can be obtained using currently available experimental capabilities with parameters corresponding to epitaxial thin films.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Development and implementation of an in situ high-resolution isotopic microscope for measuring metabolic interactions in soil mesocosms (Final Report)

Many of our planet’s ecosystems rely on the activities of soil microbial communities. These microbes have significant and wide-ranging effects: they metabolize carbon and other nutrients, interact with plants and fungi, and perform other processes important to soil health. However, our ability to directly observe the enzymatic and metabolic activities of microbes within soil is currently limited, not only by the complexity of soil microbial communities themselves, but also by the lack of experimental tools to study them and their molecular interactions in situ. These challenges hinder our understanding of the life-sustaining processes of biomass decomposition and the manner in which it contributes to the movement of freed carbon within soil ecosystems. Here we aimed to develop a novel ultrahigh-resolution isotopic microscope that combines complementary imaging modalities to gain insights into metabolic cycling in soil. This final report covers both the portion of this work that was initially completed at the University of North Carolina at Chapel Hill from 2018 to 2019 (as award DE-SC0019012) and then from 2020 to 2022 (2023 in NCE) at the University of Massachusetts Chan Medical School. This goal was to build an integrated platform consisting of fluorescence microscopy, Raman microspectroscopy, and nanospray desorption electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry (nanoDESI-FTICR-MS) to directly investigate microbial activities and molecular transformations occurring in soil by exploiting the use of both fluorescent labels and stable isotope probing. Specifically, our instrument was conceived as integrating: (A) fluorescence detection to localize soil microbes, identify bacteria taking up polysaccharides, and monitor gene expression of enzymes involved in decomposition; (B) Raman microspectroscopy to determine which microbes incorporate decomposition products into their biomass, as well as which decomposers are metabolically active; and (C) nanoDESI-FTICR-MS imaging to spatially probe, in real-time, the metabolites in the surrounding area, which we expect will reveal the distributions of the products of the enzymatic breakdown of polysaccharides, as well as specialized metabolites acting as cell-cell signals between decomposers. To enable these measurements, we exploited fluorescence-based probes to map the microbes that are enzymatically active (per A) and utilized stable isotope-labeled substrates to visualize both the microbial and molecular fate of decomposed biomass (B and C, respectively). To accomplish our goal, we combined the expertise of a multidisciplinary group of scientists to pursue the construction of this microscope and to investigate scientific questions that would be facilitated by such a capability. We aimed to employ this spatially informative, high-resolution isotopic microscope to visualize the critical steps of biomass degradation and the molecular fate of other environmentally relevant substrates within soil mesocosms. Accordingly, this technology will enhance our understanding of the microbial and metabolic interactions occurring within soil communities that are relevant to carbon degradation and other soil processes. The instrument has been developed and housed at EMSL, where it will be available to the entire EMSL User Base, enabling a variety of related DOE-relevant systems to be interrogated in the future by diverse scientific research groups.

59 BASIC BIOLOGICAL SCIENCES↗

Integrating AlphaFold and deep learning for atomistic interpretation of cryo-EM maps

Abstract Interpretation of cryo-electron microscopy (cryo-EM) maps requires building and fitting 3D atomic models of biological molecules. AlphaFold-predicted models generate initial 3D coordinates; however, model inaccuracy and conformational heterogeneity often necessitate labor-intensive manual model building and fitting into cryo-EM maps. In this work, we designed a protein model-building workflow, which combines a deep-learning cryo-EM map feature enhancement tool, CryoFEM (Cryo-EM Feature Enhancement Model) and AlphaFold. A benchmark test using 36 cryo-EM maps shows that CryoFEM achieves state-of-the-art performance in optimizing the Fourier Shell Correlations between the maps and the ground truth models. Furthermore, in a subset of 17 datasets where the initial AlphaFold predictions are less accurate, the workflow significantly improves their model accuracy. Our work demonstrates that the integration of modern deep learning image enhancement and AlphaFold may lead to automated model building and fitting for the atomistic interpretation of cryo-EM maps.

59 BASIC BIOLOGICAL SCIENCES↗

Imaging interferometry with non-redundant arrays

The performance of a set of nonredundant arrays, that convert an existing telescope to an interferometer, was simulated. Each array is a perforated mask, placed at an image of the objective. Each pair of holes in a mask transmits a unique spatial frequency that is present in the target; hence the term nonredundant. Each mask produces a fringe I(f) in the focal plane that is the product of the Fourier transforms of the object and the optical transfer function S(f).

Zirker, J. B.↗

Hubble Space Telescope characterized by using phase-retrieval algorithms

We describe several results characterizing the Hubble Space Telescope from measured point spread functions by using phase-retrieval algorithms. The Cramer-Rao lower bounds show that point spread functions taken well out of focus result in smaller errors when aberrations are estimated and that, for those images, photon noise is not a limiting factor. Reconstruction experiments with both simulated and real data show that the calculation of wave-front propagation by the retrieval algorithms must be performed with a multiple-plane propagation rather than a simple fast Fourier transform to ensure the high accuracy required. Pupil reconstruction was performed and indicates a misalignment of the optical axis of a camera relay telescope relative to the main telescope. After we accounted for measured spherical aberration in the relay telescope, our estimate of the conic constant of the primary mirror of the HST was - 1.0144.

Fienup, J. R.↗