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At least 235 records · Page 13

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DOE OSTI2024

Multitiered computational methodology for extracting three-dimensional rotational diffusion coefficients from x-ray photon correlation spectroscopy data without structural information

X-ray photon correlation spectroscopy (XPCS) is a powerful technique for analyzing particle systems by investigating their dynamics in suspensions across a broad range of temporal and spatial scales. This is done by illuminating samples with coherent x-ray beams and calculating the correlation function of the obtained x-ray scattering images. XPCS is uniquely suited for studying Brownian dynamics, consisting of translational and rotational diffusion. While traditional XPCS image analysis techniques can extract translational diffusion components, they are unable to estimate rotational diffusion coefficients. Here, we introduce a methodology that combines the angular-temporal cross-correlation analysis and a algorithmic framework called Multi-Tiered Estimation for Correlation Spectroscopy in 3D for estimating three-dimensional rotational diffusion coefficients from XPCS images of three-dimensional particle systems. We demonstrate our methodology for extracting rotational diffusion coefficients from XPCS data by applying it to simulated noisy x-ray images of systems of crossing nanotubes and proteins that evolve under translational and rotational Brownian motion for different diffusion rates. Furthermore, our results show that our approach determines rotational diffusion coefficients within a few percent error.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2004

Analysis of TRMM Microphysical Measurements: Tropical Rainfall Measuring Mission (TRMM)

SPEC Incorporated participated in three of the four TRMM field campaigns (TEFLUN-A, TEFLUN-B and KWAJEX), installing and operating a cloud particle imager (CPI) and a high volume precipitation spectrometer (HVPS) on the SPEC Learjet in TEFLUN-A, the University of North Dakota Citation in TEFLUN-B and KWAJEX, and a CPI on the NASA DC-8 in KWAJEX. This report presents and discusses new software tools and algorithms that were developed to analyze microphysical data collected during these field campaigns, as well as scientific interpretations of the data themselves. Software algorithms were developed to improve the analysis of microphysical measurements collected by the TRMM aircraft during the field campaigns. Particular attention was paid to developing and/or improving algorithms used to compute particle size distributions and ice water content. Software was also developed in support of production of the TRMM Common Microphysical Product (CMP) data files. CMP data files for TEFLUN-A field campaign were produced and submitted to the DAAC. Typical microphysical properties of convective and stratiform regions from TEFLUN-A and KWAJEX clouds were produced. In general, it was found that in the upper cloud region near -20 to -25 C, stratiform clouds contain very high (greater than 1 per cubic centimeter) concentrations of small ice particles, which are suspected to be a residual from homogeneous freezing and sedimentation of small drops in a convective updraft. In the upper cloud region near -20 to -25 C, convective clouds contain aggregates, which are not found lower in the cloud. Stratiform clouds contain aggregates at all levels, with the majority in the lowest levels. Convective cloud regions contain much higher LWC and drop concentrations than stratiform regions at all levels, and higher LWC in the middle and upper regions. Stratiform clouds contain higher IWC than convective clouds only at the lowest level. Irregular shaped ice particles are found in very high concentrations throughout both convective and stratiform cloud regions. A striking difference in particle shape in cirrus formed in situ, cirrus formed from maritime anvils and cirrus formed from continental anvils. Over 50% of the mass of in situ cirrus ice particles is composed of bullet rosettes, while bullet rosettes are virtually non-existent in maritime and tropical anvils. Tropical anvils are composed of mostly singular, plates, capped columns, and blocky irregular shapes, while continental anvils have a much higher percentage of aggregates, some of which are chains of small spheroidal particles that appear to result from homogeneous freezing of drops. A correlation between high electric fields in continental anvils and the formation of aggregates is hypothesized.

Source record↗

NASA NTRS1995

Pole-to-Pole Distribution of Stratospheric Black Carbon (Soot) Aerosol from Aircraft

The distribution of black carbon (soot) aerosol (BCA) in the atmosphere is of interest for several reasons: (1) Because BCA has the highest absorption cross section of any compound known, it can absorb solar radiation to cause atmospheric warming. (2) Because it is a strong adsorber of gases, it can catalyze heterogeneous reactions to change the chemical composition of the atmosphere.(3) If aircraft are a major source of BCA, it is an important tracer of aircraft emissions. Analysis for BCA of impactor samples from Arctic and Antarctic deployments, utilizing particle morphology of scanning electron microscopy images, permits the following conclusions: (1) The BCA concentration in the northern stratosphere varies between 0 and 2.6 ng m-3 averaging 0.6 ng/cu m. (2) This BCA loading is commensurate with estimated fuel consumptions in the stratosphere by the current commercial fleet and an emission index E=0.03 g BCA per kg fuel burnt which was measured in jet exhaust at al titude.Thus, most stratospheric BCA in the northern stratosphere results from aircraft emissions. The background BCA concentration in the southern stratosphere varies between 0 and 0.6 ng cu m averaging 0.1 ng/cu m. This strong meridional gradient implies that stratospheric BCA residence time- is shorter than are mixing times between hemispheres. Projected annual fuel consumption of a future supersonic commercial fleet is 7E13 g. This fleet would increase stratospheric BCA loadings by a factor of 2-3, because almost all fuel would be burnt above the tropopause. An improved EI(BCA) by a factor of ten would result in an increase of stratospheric BCA loadings by approximately 50 %.

Pueschel, R. F.↗

NASA NTRS1992

Analysis of CCD images of the coma of comet P/Halley

The modeling analysis objective of this project is to make use of the skill acquired in the development of Monte Carlo particle trajectory models for the distributions of gas species in cometary comae as a basis for a new dust coma model. This model will include a self-consistent picture of the time-dependent dusty-gas dynamics of the inner coma and the three-dimensional time-dependent trajectories of the dust particles under the influence of solar gravity and solar radiation pressure in the outer coma. Our purpose is to use this model as a tool to analyze selected images from two sets of data of the comet P/Halley with the hope that we can help to understand the effects of a number of important processes on the spatial morphology of the observed dust coma. The study will proceed much in the same way as our study of the spatially extended hydrogen coma where we were able to understand the spatial morphology of the Lyman-alpha coma in terms of the partial thermalization of the hot H atoms produced by the photodissociation of cometary H2O and OH. The processes of importance to the observed dust coma include: (1) the dust particle size distribution function; (2) the terminal velocities of various sized dust particles in the inner coma; (3) the radiation scattering properties of dust particles, which are important both in terms of the observed scattered radiation and the radiation pressure acceleration on dust particles; (4) the fragmentation and/or vaporization of dust particles; (5) the relative importance of CHON and silicate dust particles as they contribute both to the dusty-gas dynamics in the inner coma (that produce the dust particle terminal velocities) and to the observed spatial morphology of the outer dust coma; and (6) the time and direction dependence of the source of dust.

Combi, Michael R.↗

DOE OSTI2021

Modelling the complex evaporated gas flow and its impact on particle spattering during laser powder bed fusion

The additive manufacturing (AM) of metals is becoming an increasingly important production process with the potential to replace traditional techniques such as casting. Laser Powder Bed Fusion (LPBF) is used in many applications to print metal parts from powder. The metal powder is heated locally with sufficient laser radiation that the liquid melt easily reaches its boiling temperature, which leads to a metallic vapour jet that can entrain both powder bed particles and molten droplets. The small size of laser-matter interaction site makes a detailed experimental analysis of the process challenging. Synchrotron X-ray imaging experiments are one of the few methods which can capture the dynamic melting and solidification processes. Comparing such experiments with computer simulations of the process is an important approach in order to better understand the manufacturing process and to analyse the influence of process parameters on the evaporated gas jet and the subsequent impact on particle ejection, leading to potentially reduced AM component quality. The melting and solidification of the metal powder is simulated using an Eulerian multiphase approach based on a control volume discretization of powder bed and substrate and a volume of liquid separation from melt and gas phase. The gas phase modelled as an ideal gas reaches velocities up to 100 m/s. Lagrangian particle tracking in the simulation demonstrates that the velocity fields calculated by the Eulerian multi-phase approach in combination with a standard drag-force model lead to particle accelerations in good agreement with those measured experimentally. In order to avoid numerical laborious Lagrangian calculations, a direct method to compare an Eulerian multiphase simulation with synchrotron X-ray experiments was introduced and validated. This approach is used to analyse the influence of process parameters including laser power and laser speed on the maximal acceleration of particles from the melt pool area. While the particle acceleration increases linearly with line energy in the conduction mode, a linear decrease of the acceleration with increasing line energy can be found in the transition mode before the accel-eration increases again with line energy in the keyhole mode.

36 MATERIALS SCIENCE↗

NASA NTRS1991

Software manual for operating particle displacement tracking data acquisition and reduction system

The software manual is presented. The necessary steps required to record, analyze, and reduce Particle Image Velocimetry (PIV) data using the Particle Displacement Tracking (PDT) technique are described. The new PDT system is an all electronic technique employing a CCD video camera and a large memory buffer frame-grabber board to record low velocity (less than or equal to 20 cm/s) flows. Using a simple encoding scheme, a time sequence of single exposure images are time coded into a single image and then processed to track particle displacements and determine 2-D velocity vectors. All the PDT data acquisition, analysis, and data reduction software is written to run on an 80386 PC.

Wernet, Mark P.↗

NASA NTRS1994

Computer image analysis of etched tracks from ionizing radiation

I proposed to continue a cooperative research project with Dr. David S. McKay concerning image analysis of tracks. Last summer we showed that we could measure track densities using the Oxford Instruments eXL computer and software that is attached to an ISI scanning electron microscope (SEM) located in building 31 at JSC. To reduce the dependence on JSC equipment, we proposed to transfer the SEM images to UHCL for analysis. Last summer we developed techniques to use digitized scanning electron micrographs and computer image analysis programs to measure track densities in lunar soil grains. Tracks were formed by highly ionizing solar energetic particles and cosmic rays during near surface exposure on the Moon. The track densities are related to the exposure conditions (depth and time). Distributions of the number of grains as a function of their track densities can reveal the modality of soil maturation. As part of a consortium effort to better understand the maturation of lunar soil and its relation to its infrared reflectance properties, we worked on lunar samples 67701,205 and 61221,134. These samples were etched for a shorter time (6 hours) than last summer's sample and this difference has presented problems for establishing the correct analysis conditions. We used computer counting and measurement of area to obtain preliminary track densities and a track density distribution that we could interpret for sample 67701,205. This sample is a submature soil consisting of approximately 85 percent mature soil mixed with approximately 15 percent immature, but not pristine, soil.

Blanford, George E.↗

NASA NTRS2001

Forced Diffusion of Trailing Vorticity from a Hovering Rotor

A small turbulence generating device was Attached near the tip of a hovering rotor blade In order to alter the structure of the trailing vortex. Stereo particle image velocimetry (PIV) images were used to quantify the wake behind the rotor blade during the first revolution. An analysis of the 3D-velocity field includes a method for accounting for vortex wander. The results show that a major change in the size and intensity of the trailing vortex can be achieved.

McAlister, Kenneth W.↗

NASA NTRS2015

Effect of Cloud Fraction on Near-Cloud Aerosol Behavior in the MODIS Atmospheric Correction Ocean Color Product

Characterizing the way satellite-based aerosol statistics change near clouds is important for better understanding both aerosol-cloud interactions and aerosol direct radiative forcing. This study focuses on the question of whether the observed near-cloud increases in aerosol optical thickness and particle size may be explained by a combination of two factors: (i) Near-cloud data coming from areas with higher cloud fractions than far-from-cloud data and (ii) Cloud fraction being correlated with aerosol optical thickness and particle size. This question is addressed through a statistical analysis of aerosol parameters included in the MODIS (MODerate resolution Imaging Spectroradiometer) ocean color product. Results from ten Septembers (2002-2011) over part of the northeast Atlantic Ocean confirm that the combination of these two factors working together explains a significant but not dominant part (in our case, 15%-30%) of mean optical thickness changes near clouds. Overall, the findings show that cloud fraction plays a large role in shaping the way aerosol statistics change with distance to clouds. This implies that both cloud fraction and distance to clouds are important to consider when aerosol-cloud interactions or aerosol direct radiative effects are examined in satellite or modeling studies.

Remote sensing↗

DOE OSTI2022

A deep learning approach for semantic segmentation of unbalanced data in electron tomography of catalytic materials

In computed TEM tomography, image segmentation represents one of the most basic tasks with implications not only for 3D volume visualization, but more importantly for quantitative 3D analysis. In case of large and complex 3D data sets, segmentation can be an extremely difficult and laborious task, and thus has been one of the biggest hurdles for comprehensive 3D analysis. Heterogeneous catalysts have complex surface and bulk structures, and often sparse distribution of catalytic particles with relatively poor intrinsic contrast, which possess a unique challenge for image segmentation, including the current state-of-the-art deep learning methods. To tackle this problem, we apply a deep learning-based approach for the multi-class semantic segmentation of a γ-Alumina/Pt catalytic material in a class imbalance situation. Specifically, we used the weighted focal loss as a loss function and attached it to the U-Net’s fully convolutional network architecture. We assessed the accuracy of our results using Dice similarity coefficient (DSC), recall, precision, and Hausdorff distance (HD) metrics on the overlap between the ground-truth and predicted segmentations. Our adopted U-Net model with the weighted focal loss function achieved an average DSC score of 0.96 ± 0.003 in the γ-Alumina support material and 0.84 ± 0.03 in the Pt NPs segmentation tasks. We report an average boundary-overlap error of less than 2 nm at the 90th percentile of HD for γ-Alumina and Pt NPs segmentations. The complex surface morphology of γ-Alumina and its relation to the Pt NPs were visualized in 3D by the deep learning-assisted automatic segmentation of a large data set of high-angle annular dark-field (HAADF) scanning transmission electron microscopy (STEM) tomography reconstructions.

36 MATERIALS SCIENCE↗

NASA NTRS1995

Viking Lander image analysis of Martian atmospheric dust

We have reanalyzed three sets of Viking Lander 1 and 2 (VL1 and VL2) images of the Martian atmosphere to better evaluate the radiative properties of the atmospheric dust particles. The properties of interest are the first two moments of the size distribution, the single-scattering albedo, the dust single-scattering phase function, and the imaginary index of refraction. These properties provide a good definition of the influence that the atmospheric dust has on heating of the atmosphere. Our analysis represents a significant improvement over past analyses (Pollack et al. 1977, 1979) by deriving more accurate brightness closer to the sun, by carrying out more precise analyses of the data to acquire the quantities of interest, and by using a better representation of scattering by nonspherical particles. The improvements allow us to better define the diffraction peak and hence the size distribution of the particles. For a lognormal particle size distribution, the first two moments of the size distribution, weighted by the geometric cross section, are found. The geometric cross-section weighted mean radius r(sub eff) is found to be 1.85 +/- 0.3 micrometers at VL2 during northern summer when dust loading was low and 1.52 +/- 0.3 micrometers at VL1 during the first dust storm. In both cases the best cross-section weighted mean variance nu(sub eff) of the size distribution is equal to 0.5 +/- 0.2 micrometers. The changes in size distribution, and thus radiative properties, do not represent a substantial change in solar energy deposition in the atmosphere over the Pollak et al. (1977, 1979) estimates.

Pollack, James B.↗

NASA NTRS1995

Viking Lander image analysis of Martian atmospheric dust

We have reanalyzed three sets of Viking Lander 1 and 2 (VL1 and VL2) images of the Martian atmosphere to better evaluate the radiative properties of the atmospheric dust particles. The properties of interest are the first two moments of the size distribution, the single-scattering albedo, the dust single-scattering phase function, and the imaginary index of refraction. These properties provide a good definition of the influence that the atmospheric dust has on heating of the atmosphere. Our analysis represents a significant improvement over past analyses (Pollack et al. 1977,1979) by deriving more accurate brightnesses closer to the sun, by carrying out more precise analyses of the data to acquire the quantities of interest, and by using a better representation of scattering by nonspherical particles. The improvements allow us to better define the diffraction peak and hence the size distribution of the particles. For a lognormal particle size distribution, the first two moments of the size distribution, weighted by the geometric cross section, are found. The geometric cross-section weighted mean radius (r(sub eff)) is found to be 1.85 +/- 0.3 microns at VL2 during northern summer when dust loading was low and 1.52 +/- 0.3 microns at VL1 during the first dust storm. In both cases the best cross-section weighted mean variance (nu(eff)) of the size distribution is equal to 0.5 +/- 0.2 microns. The changes in size distribution, and thus radiative properties, do not represent a substantial change in solar energy deposition in the atmosphere over the Pollack et al. (1977,1979) estimates.

Pollack, James B.↗

NASA NTRS1979

Program for plasma-sprayed self-lubricating coatings

A method for preparing composite powders of the three coating components was developed and a procedure that can be used in applying uniform coatings of the composite powders was demonstrated. Composite powders were prepared by adjusting particle sizes of the components and employing a small amount of monoaluminum phosphate as an inorganic binder. Quantitative microscopy (image analysis) was found to be a convenient method of characterizing the composition of the multiphase plasma-sprayed coatings. Area percentages and distribution of the components were readily obtained by this method. The adhesive strength of the coating to a nickel-chromium alloy substrate was increased by about 40 percent by a heat treatment of 20 hours at 650 C.

Walther, G. C.↗

NASA NTRS2013

Lunar Regolith Particle Shape Analysis

Future engineering of structures and equipment on the lunar surface requires significant understanding of particle characteristics of the lunar regolith. Nearly all sediment characteristics are influenced by particle shape; therefore a method of quantifying particle shape is useful both in lunar and terrestrial applications. We have created a method to quantify particle shape, specifically for lunar regolith, using image processing. Photomicrographs of thin sections of lunar core material were obtained under reflected light. Three photomicrographs were analyzed using ImageJ and MATLAB. From the image analysis measurements for area, perimeter, Feret diameter, orthogonal Feret diameter, Heywood factor, aspect ratio, sieve diameter, and sieve number were recorded. Probability distribution functions were created from the measurements of Heywood factor and aspect ratio.

Kiekhaefer, Rebecca↗

DOE OSTI2022

Multimodal X-ray nano-spectromicroscopy analysis of chemically heterogeneous systems

Abstract Understanding the nanoscale chemical speciation of heterogeneous systems in their native environment is critical for several disciplines such as life and environmental sciences, biogeochemistry, and materials science. Synchrotron-based X-ray spectromicroscopy tools are widely used to understand the chemistry and morphology of complex material systems owing to their high penetration depth and sensitivity. The multidimensional (4D+) structure of spectromicroscopy data poses visualization and data-reduction challenges. This paper reports the strategies for the visualization and analysis of spectromicroscopy data. We created a new graphical user interface and data analysis platform named XMIDAS (X-ray multimodal image data analysis software) to visualize spectromicroscopy data from both image and spectrum representations. The interactive data analysis toolkit combined conventional analysis methods with well-established machine learning classification algorithms (e.g. nonnegative matrix factorization) for data reduction. The data visualization and analysis methodologies were then defined and optimized using a model particle aggregate with known chemical composition. Nanoprobe-based X-ray fluorescence (nano-XRF) and X-ray absorption near edge structure (nano-XANES) spectromicroscopy techniques were used to probe elemental and chemical state information of the aggregate sample. We illustrated the complete chemical speciation methodology of the model particle by using XMIDAS. Next, we demonstrated the application of this approach in detecting and characterizing nanoparticles associated with alveolar macrophages. Our multimodal approach combining nano-XRF, nano-XANES, and differential phase-contrast imaging efficiently visualizes the chemistry of localized nanostructure with the morphology. We believe that the optimized data-reduction strategies and tool development will facilitate the analysis of complex biological and environmental samples using X-ray spectromicroscopy techniques.

36 MATERIALS SCIENCE↗

DOE OSTI2020

In situ high-temperature X-ray diffraction study of Sc-doped titanium oxide nanocrystallites

Titanium dioxide is an inexpensive wide-gap highly ionic semiconductor with striking photocatalytic capabilities in several heterogeneous photoredox reactions. A small crystal size is desirable to maximize the surface area, since photocatalytic reactions occur at the surface of a photocatalyst. Presented in this work are the synthesis and microstructural characterization of 4 at.% Sc-doped TiO 2 (4SDT) prepared by water-based co-precipitation. The crystal structure of 4SDT was examined via in situ high-temperature powder X-ray diffraction experiments from 25 to 1200°C. Rietveld analysis revealed single-phase anatase up to 875°C, while at 900°C the anatase-to-rutile phase transformation occurred and at higher temperatures additional reflections of Sc-rich phases (Sc 2 TiO 5 from 975°C and Ti 3 Sc 4 O 12 or Sc 2 O 3 at 1200°C) were observed. Debye function analysis (DFA) was applied to model the total scattering pattern directly in reciprocal space, allowing the reconstruction of Ti vacancies. Both Rietveld and DFA methods were applied to estimate the nanocrystallite size and shape with consistent growth in crystallite size with temperature: an ellipsoid shape with equatorial ~4.7 nm / axial (001) ~6.9 nm at 25°C to equatorial ~27.9 nm / axial (001) ~39.6 nm at 900°C refined by Rietveld analysis, versus a cylinder shape with D a , b = 4.3 nm and size dispersion σ ab = 1.5 nm, L c = 4.9 nm and σ c = 2.3 nm at 25°C to D a , b = 21.4 nm, σ ab = 8.3 nm, L c = 23.9 and σ c = 10.9 nm at 900°C estimated by DFA. The microstructural changes obtained by Rietveld and DFA methods were supported by high-resolution transmission electron microscopy image analysis, as well as by the less direct nitrogen sorption techniques that provide information on the size of non-agglomerated and dense particles. The Ti site-occupancy factor showed a linear increase from 0.6–0.8 at 25°C to unity at 900°C for anatase, and from ~0.7 at 900°C to unity at 1200°C for rutile, via Rietveld analysis and DFA.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Coupling of multiscale imaging analysis and computational modeling for understanding thick cathode degradation mechanisms

Here, using a thick NMC811 (LiNi 0.8 Mn 0.1 Co 0.1 O 2 ) electrode as an example, we present a macro- to nanoscale 2D and 3D imaging analysis approach coupled with 4D (space + time) computational modeling to probe its degradation mechanism in a lithium-ion battery cell. Particle cracking increases and contact loss between particles and carbon-binder domain are observed to correlate with the cell degradation. This study unravels that the reaction heterogeneity within the thick cathode caused by the unbalanced electron conduction is the main cause of the battery degradation over cycling. The increased heterogeneity in the system will entail more cathode regions where the degree of active material utilization is uneven, leading to higher probabilities of particle cracking. These findings shed light on the crucial role of the electronic and ionic transportation networks in the performance deterioration of the thick cathode. They also provide guidance for cathode architecture optimization and performance improvement.

25 ENERGY STORAGE↗

DOE OSTI2020

Imaging the kinetics of anisotropic dissolution of bimetallic core–shell nanocubes using graphene liquid cells

Chemical design of multicomponent nanocrystals requires atomic-level understanding of reaction kinetics. Here, we apply single-particle imaging coupled with atomistic simulation to study reaction pathways and rates of Pd@Au and Cu@Au core-shell nanocubes undergoing oxidative dissolution. Quantitative analysis of etching kinetics using in situ transmission electron microscopy (TEM) imaging reveals that the dissolution mechanism changes from predominantly edge-selective to layer-by-layer removal of Au atoms as the reaction progresses. Dissolution of the Au shell slows down when both metals are exposed, which we attribute to galvanic corrosion protection. Morphological transformations are determined by intrinsic anisotropy due to coordination-number-dependent atom removal rates and extrinsic anisotropy induced by the graphene window. Our work demonstrates that bimetallic coreshell nanocrystals are excellent probes for the local physicochemical conditions inside TEM liquid cells. Furthermore, single-particle TEM imaging and atomistic simulation of reaction trajectories can inform future design strategies for compositionally and architecturally sophisticated nanocrystals.

77 NANOSCIENCE AND NANOTECHNOLOGY↗