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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Three-dimensional (3D) velocity map imaging: from technique to application

The velocity map imaging (VMI) technique was first introduced by Eppink and Parker in 1997, as an improvement to the original ion imaging method by Houston and Chandler in 1987. The method has gained huge popularity over the past two decades and has become a standard tool for measuring high-resolution translational energy and angular distributions of ions and electrons. VMI has evolved gradually from 2D momentum measurements to 3D measurements with various implementations and configurations. The most recent advancement has brought unprecedented 3D performance to the technique in terms of resolutions (both spatial and temporal), multi-hit capability as well as acquisition speed while maintaining many attractive attributes afforded by conventional VMI such as being simple, cost-effective, visually appealing and versatile. Here, in this tutorial, we will discuss many technical aspects of the recent advancement and its application in probing correlated chemical dynamics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Free-moving Quantitative Gamma-ray Imaging

The ability to map and estimate the activity of radiological source distributions in unknown three-dimensional environments has applications in the prevention and response to radiological accidents or threats as well as the enforcement and verification of international nuclear non-proliferation agreements. Such a capability requires well-characterized detector response functions, accurate time-dependent detector position and orientation data, a digitized representation of the surrounding 3D environment, and appropriate image reconstruction and uncertainty quantification methods. We have previously demonstrated 3D mapping of gamma-ray emitters with free-moving detector systems on a relative intensity scale using a technique called Scene Data Fusion (SDF). Here we characterize the detector response of a multi-element gamma-ray imaging system using experimentally benchmarked Monte Carlo simulations and perform 3D mapping on an absolute intensity scale. We present experimental reconstruction results from hand-carried and airborne measurements with point-like and distributed sources in known configurations, demonstrating quantitative SDF in complex 3D environments.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

LABQ3: Bayesian method for quantification of mineral compositions and nano-scale elemental mapping of 3D synchrotron XCT data

Quantitative analysis of mineral compositions is essential in understanding geochemical, mineralogical and environmental processes. Fine-resolution 3D imaging is widely done using synchrotron X-ray computed tomography (XCT), but existing analyses are limited to visualization and segmentation. This paper presents a new method, Linear Attenuation Bayesian Quantitative 3D-mapper (LABQ3), based on the linearity of X-ray attenuation with respect to elemental concentrations. To address the random variability in attenuation measurements, LABQ3 employs Bayesian decision theory to minimize classification error, using reference attenuation distributions from scans of pure mineral standards. To demonstrate LABQ3 and test its performance, we studied precipitated carbonate samples. XCT scans were done at multiple energies using the transmission X-ray microscope (TXM) at beamline 32-ID-C of the Advanced Photon Source at Argonne National Laboratory. The reconstructed 3D images have a voxel size of 20 nm. Analyses revealed rich nano-scale compositional heterogeneity within individual particles. A mixture of calcium and cadmium produced an overall stoichiometric composition of (Ca 0.78 ,Cd 0.22 )CO 3 , with some voxels containing nearly pure CdCO 3 . The addition of zinc led to an overall stoichiometric composition of 33% Ca, 28% Cd, 39% Zn, with a nearly pure CaCO 3 core and compositional zonation through the rim. These compositional gradients are related to temporal sequences of carbonate mineral formation where Cd precipitated at the beginning in (Ca,Cd)CO 3 , while Cd and Zn precipitated at the end in (Ca, Cd,Zn)CO 3 . Results differ from bulk analyses using Inductively Coupled Plasma-Mass Spectrometry (ICP-MS), showing that LABQ3 provides particle-specific insights. LABQ3 distinguishes itself by quantifying chemical compositions along a continuum, making it different from XCT analyses based on segmentation. LABQ3 allows simultaneous acquisition of morphology and chemical composition in 3D, facilitating the interpretation of chemical gradients of trace elements, quantification of solid solution compositions, inferences about temporal sequences of mineral precipitation, and addressing other concerns about solid-phase chemistry.

58 GEOSCIENCES↗
DOE OSTI2020

Directional Gateway to Metal Oxidation: 3D Chemical Mapping Unfolds Oxygen Diffusional Pathways in Rhodium Nanoparticles

The interaction of oxygen with a reactive metal is ubiquitous, yet the precise atomic-level mechanisms and pathways leading to the formation of a surface oxide are not well-understood. We report oxygen atom distributions inside Rh single nanoparticles using atom probe microscopy (APM) and demonstrate that mainly facets of the ?022¯? crystallographic directions act as oxygen-permeable gateways. The highly anisotropic spatial distribution of incorporated oxygen atoms is in agreement with video-field emission analyses according to which {113} facets of the ?022¯? zones act as portals for subsurface diffusion. In addition to providing a more fundamental understanding of the precursor states to metal corrosion, in particular for the case of nanosized metal particles, our studies are also relevant for heterogeneous catalysis where catalytic activity and selectivity conform to reaction-induced structural changes of metal nanoparticles.

Lambeets, Sten V M.↗
DOE OSTI2022

3D velocity map imaging of electrons with TPX3CAM

In this report we demonstrate three-dimensional velocity map imaging of low energy electrons using a TPX3CAM, where the three-dimensional momentum information [$p_x, p_y, p_z$] is encoded in position and timing [x, y, t] of hits on the camera sensor. We make use of the camera sensor for the [x, y] information and a constant fraction discriminator and fast time to digital converter in the camera for the time information. We illustrate the capabilities of our apparatus by presenting above threshold ionization measurements of xenon, which produces well defined structures in the momentum resolved photoelectron yield.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Q -score as a reliability measure for protein, nucleic acid and small-molecule atomic coordinate models derived from 3DEM maps

Atomic coordinate models are important for the interpretation of 3D maps produced with cryoEM and cryoET (3D electron microscopy; 3DEM). In addition to visual inspection of such maps and models, quantitative metrics can inform about the reliability of the atomic coordinates, in particular how well the model is supported by the experimentally determined 3DEM map. A recently introduced metric, Q-score, was shown to correlate well with the reported resolution of the map for well fitted models. Here, we present new statistical analyses of Q-score based on its application to ∼10 000 maps and models archived in the EMDB (Electron Microscopy Data Bank) and PDB (Protein Data Bank). Further, we introduce two new metrics based on Q-score to represent each map and model relative to all entries in the EMDB and those with similar resolution. We explore through illustrative examples of proteins, nucleic acids and small molecules how Q-scores can indicate whether the atomic coordinates are well fitted to 3DEM maps and also whether some parts of a map may be poorly resolved due to factors such as molecular flexibility, radiation damage and/or conformational heterogeneity. These examples and statistical analyses provide a basis for how Q-scores can be interpreted effectively in order to evaluate 3DEM maps and atomic coordinate models prior to publication and archiving.

B factors↗
DOE OSTI2023

Three‐Dimensional Broadband Interferometric Mapping and Polarization (BIMAP‐3D) Observations of Lightning Discharge Processes

Abstract Following on our earlier single‐station, 2‐dimensional (2D) broadband interferometric mapping and polarization (BIMAP) observations of lightning discharges, we recently deployed two BIMAP stations at Los Alamos National Laboratory to map the lightning sources and their polarization in full 3‐dimensional (3D) space (BIMAP‐3D). The two stations are separated by 11.5‐km and each station consists of four antenna sets (instead of three for the original BIMAP) that form a Y ‐shaped array for improved interferometric performance. In this paper, we report the BIMAP‐3D system design, a generalized and analytical 2D interferometry technique for noncoplanar antenna array, a two‐stage 3D mapping technique based on geometric triangulation and baseline‐based differential time of arrival, and a technique to reconstruct the polarization orientation in 3D space by combining the 2D polarization results from the two‐station observations. Along with description of the techniques, we demonstrate and discuss the initial lightning results, including 3D maps for a hybrid intracloud and cloud‐to‐ground flash and for a normal intracloud flash, development of abnormal K‐change leaders, and polarization signatures for a K‐change leader. We find that with the two‐stage 3D mapping techniques, the sources can be located to meters accuracy for a favorable event that occurs between the two stations. We also find the polarization vectors for the example K leader are mostly orthogonal to the leader channel after the full 3D polarization analysis. The main purpose of this paper is to report the BIMAP‐3D techniques and capabilities. Detailed analysis of more specific discharge processes will be reported in later studies.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Model-based Reconstruction for Single Particle Cryo-Electron Microscopy

Single particle cryo-electron microscopy is a vital tool for 3D characterization of protein structures. A typical workflow involves acquiring projection images of a collection of randomly oriented particles, picking and classifying individual particle projections by orientation, and finally using the individual particle projections to reconstruct a 3D map of the electron density profile. The reconstruction is challenging because of the low signal-to-noise ratio of the data, the unknown orientation of the particles, and the sparsity of data especially when dealing with flexible proteins where there may not be sufficient data corresponding to each class to obtain an accurate reconstruction using standard algorithms. In this paper we present a model-based image reconstruction technique that uses a regularized cost function to reconstruct the 3D density map by assuming known orientations for the particles. Our method casts the reconstruction as minimizing a cost function involving a novel forward model term that accounts for the contrast transfer function of the microscope, the orientation of the particles and the center of rotation offsets. We combine the forward model term with a regularizer that enforces desirable properties in the volume to be reconstructed. Using simulated data, we demonstrate how our method can significantly improve upon the typically used approach.

Venkatakrishnan, Singanallur↗
DOE OSTI2023

High-resolution 3D strain and orientation mapping within a grain of a directed energy deposition laser additively manufactured superalloy

The industrialization of Laser Additive Manufacturing (LAM) is challenged by the undesirable microstructures and high residual stresses originating from the fast and complex solidification process. Non-destructive assessment of the mechanical performance controlling deformation patterning is therefore critical. Here, we use Dark Field X-ray Microscopy (DFXM) to map the 3D subsurface intragranular orientation and strain variations throughout a surface-breaking grain within a directed energy deposition nickel superalloy. DFXM results reveal a highly heterogenous 3D microstructure in terms of the local orientation and lattice strain. The grain comprises ≈ 5 μm-sized cells with alternating strain states, as high as 5 x10 -3 , and orientation differences <0.5°. The DFXM results are compared to Electron Backscatter Diffraction measurements of the same grain from its cut-off surface. Here, we discuss the microstructure developments during LAM, rationalising the development of the deformation patterning from the extreme thermal gradients during processing and the susceptibility for solute segregation.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Heterogeneous fatigue damage in a nickel-based single-crystal superalloy unraveled using correlative 3D X-ray technology

Nickel-based single-crystal (Ni-SX) superalloys under cyclic stress are susceptible to cracking at stress-concentration sites, eventually leading to low-cycle fatigue (LCF) failure. LCF cracks typically originate from intrinsic defects (e.g., voids and carbides) within solidified dendrites. However, systematic quantitative experimental analyses of defect-mediated local damage remain limited. To thoroughly understand the microscopic origins and evolution of LCF damage, correlated 3D mapping of dendrites across various regions is essential. Here, in this study, macroscale micro-computed tomography (μ-CT) was initially used to capture internal interdendritic secondary cracks within bulk DD413 superalloy after LCF testing at 760 °C. Subsequently, a multimodal methodology combining synchrotron 3D microdiffraction (3D-μXRD), high-resolution μ-CT, and electron microscopy was established. This approach allowed precise localization of internal damage zones near interdendritic secondary cracks and detailed mapping of the 3D correlated distributions of dendrites, defects, and residual stress/strain fields within these zones at submicron spatial resolution. Finally, the same approach was applied to specimens subjected to interrupted loading at approximately 40 % of the fatigue life to uncover the early damage states of dendrites. The dendrite cores (DCs) and interdendritic regions (IDs) exhibit microscale heterogeneous mechanical responses: nearly defect-free DCs accumulate local irreversible slip along specific slip systems to generate slip bands, while the IDs containing various defects accommodate local microplasticity through the activation of multiple slip systems around these defects. The local tensile stress near defects in the IDs exceeds that in the DC slip band regions by more than threefold, leading to the generation of local damage zones within the IDs. Chain-like defect distributions facilitate the interconnection of these local zones into a continuous damage region, further elevating the overall tensile stress in the IDs. Additionally, geometrically necessary dislocations alone are insufficient as indicators of LCF damage; both the internal stress state and its magnitude must be considered. These experimental results provide critical data and insights for the development of multi-physics fatigue models.

Localized deformation↗
DOE OSTI2022

Three-dimensional mapping of mineral in intact shark centra with energy dispersive x-ray diffraction

The centra of shark vertebrae consist of cartilage mineralized by a bioapatite similar to bone's carbonated hy-droxyapatite, and, without a repair mechanism analogous to remodeling in bone, these structures still survive millions of cycles of high-strain loading. The main structures of the centrum are an hourglass-shaped double cone and the intermedialia which supports the cones. Little is known about the nanostructure of shark centra, spe-cifically the relationship between bioapatite and cartilage fibers, and this study uses energy dispersive diffraction (EDD) with polychromatic synchrotron x-radiation to study the spatial organization of the mineral phase and its crystallographic texture. The unique energy-sensitive detector array at beamline 6-BM-B, the Advanced Photon Source, enables EDD to quantify the texture within each sampling volume with one exposure while constructing 3D maps via specimen translation across the sampling volume. Herein this study maps a centrum from two shark orders, a carcharhiniform and a lamniform, with different intermedialia structures. In the blue shark (Prionace glauca, Carcharhiniformes), the bioapatite's c-axes are oriented laterally within the centrum's cone walls but axially within the wide wedges of the intermedialia; the former is interpreted to resist lateral deformation, the latter to support axial loads. In the shortfin mako (Isurus oxyrinchus, Lamniformes), there is some tendency for c-axis variation with position, but the situation is unclear because one dimension of the sampling volume is consid-erably larger than the thickness and spacing of the intermedialia's radially-oriented lamellae. Because elastic modulus in collagen plus bioapatite mineralized tissues varies significantly with both volume fraction of bio-apatite and crystallographic texture, the present 3D EDD-derived maps should inform future 3D numerical models of shark centra under applied load.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

The Tianlai dish array low-z surveys forecasts

Here, we present the science case for surveys with the Tianlai dish array interferometer tuned to the [1300, 1400] MHz frequency range. Starting from a realistic generation of mock visibility data according to the survey strategy, we reconstruct maps of the sky and perform foreground subtraction. We estimate the level of residuals from imperfect subtraction, mostly due to mode mixing, i.e. distortions in the reconstructed 3D maps due to frequency-dependent instrument response. We show that a survey of the North Celestial Polar cap during a year of observations, covering an area of 150 deg 2 , would reach a sensitivity of $1.5-2 mK per 1 MHz x 0.25 2 deg 2 voxel and be marginally impacted by mode mixing. Tianlai would be able to detect ~10 nearby massive H i clumps as well as a very strong cross-correlation signal of 21 cm intensity maps with the North Celestial Cap Survey optical galaxies. We also studied the performance of a mid-latitude survey, covering ~ 1500 deg 2 overlapping the SDSS footprint. Despite a higher noise level for the mid-latitude survey, as well as significant distortions due to mode mixing, Tianlai would be able to detect a highly significant cross-correlation between the 21 cm signal and the Sloan spectroscopic galaxy sample. Using the extragalactic signals measured from either or both of these surveys, and comparing them with simulations such as those presented here will make it possible to assess the impact of various instrumental imperfections on the Tianlai dish array performance. This would pave the way for future intensity mapping surveys with higher sensitivity.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Visualizing Solution Structure at Solid-Liquid Interfaces using Three-Dimensional Fast Force Mapping

Amongst the challenges for a variety of research fields are the visualization of solid-liquid interfaces and understanding how they are affected by the solution conditions such as ion concentrations, pH, ligands, and trace additives, as well as the underlying crystallography and chemistry. Here, in this context, three-dimensional fast force mapping (3D FFM) has emerged as a promising tool for investigating solution structure at interfaces. This capability is based on atomic force microscopy (AFM) and allows the direct visualization of interfacial regions in three spatial dimensions with sub-nanometer resolution. Here we provide a detailed description of the experimental protocol for acquiring 3D FFM data. The main considerations for optimizing the operating parameters depending on the sample and application are discussed. Moreover, the basic methods for data processing and analysis are discussed, including the transformation of the measured instrument observables into tip-sample force maps that can be linked to the local solution structure. Finally, we shed light on some of the outstanding questions related to 3D FFM data interpretation and how this technique can become a central tool in the repertoire of surface science.

Nakouzi, Elias↗
DOE OSTI2022

Nramp: Deprive and conquer?

Solute carriers 11 (Slc11) evolved from bacterial permease (MntH) to eukaryotic antibacterial defense (Nramp) while continuously mediating proton (H+)-dependent manganese (Mn2+) import. Also, Nramp horizontal gene transfer (HGT) toward bacteria led to mntH polyphyly. Prior demonstration that evolutionary rate-shifts distinguishing Slc11 from outgroup carriers dictate catalytic specificity suggested that resolving Slc11 family tree may provide a function-aware phylogenetic framework. Hence, MntH C (MC) subgroups resulted from HGTs of prototype Nramp (pNs) parologs while archetype Nramp (aNs) correlated with phagocytosis. PHI-Blast based taxonomic profiling confirmed MntH B phylogroup is confined to anaerobic bacteria vs. MntH A (MA)’s broad distribution; suggested niche-related spread of MC subgroups; established that MA-variant MH, which carries ‘eukaryotic signature’ marks, predominates in archaea. Slc11 phylogeny shows MH is sister to Nramp. Site-specific analysis of Slc11 charge network known to interact with the protonmotive force demonstrates sequential rate-shifts that recapitulate Slc11 evolution. 3D mapping of similarly coevolved sites across Slc11 hydrophobic core revealed successive targeting of discrete areas. The data imply that pN HGT could advantage recipient bacteria for H+-dependent Mn2+ acquisition and Alphafold 3D models suggest conformational divergence among MC subgroups. It is proposed that Slc11 originated as a bacterial stress resistance function allowing Mn2+-dependent persistence in conditions adverse for growth, and that archaeal MH could contribute to eukaryogenesis as a Mn2+ sequestering defense perhaps favoring intracellular growth-competent bacteria.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

3D reconstruction of an inertial-confinement fusion implosion with neural networks using multiple heterogeneous data sources

3D asymmetries are major degradation mechanisms in inertial-confinement fusion implosions at the National Ignition Facility (NIF). These asymmetries can be diagnosed and reconstructed with the neutron imaging system (NIS) on three lines of sight around the NIF target chamber. Conventional tomographic reconstructions are used to reconstruct the 3D morphology of the implosion using NIS [Volegov et al., J. Appl. Phys. 127, 083301 (2020)], but the problem is ill-posed with only three imaging lines of sight. Asymmetries can also be diagnosed with the real-time neutron activation diagnostics (RTNAD) and the neutron time-of-flight (nToF) suite. Since the NIS, RTNAD, and nToF each sample a different part of the implosion using different physical principles, we propose that it is possible to overcome the limitations of too few imaging lines of sight by performing 3D reconstructions that combine information from all three heterogeneous data sources. This work presents a new machine learning-based reconstruction technique to do just this. By using a simple physics model and group of neural networks to map 3D morphologies to data, this technique can easily account for data of multiple different types. A simple proof-of-principle is presented, demonstrating that this technique can accurately reconstruct a hot-spot shape using synthetic primary neutron images and a hot-spot velocity vector. In particular, the hot-spot’s asymmetry, quantified as spherical harmonic coefficients, is reconstructed to within ±4% of the radius in 90% of test cases. In the future, this technique will be applied to actual NIS, RTNAD, and nToF data to better understand 3D asymmetries at the NIF.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

The gravitational lensing imprints of DES Y3 superstructures on the CMB: a matched filtering approach

Low-density cosmic voids gravitationally lens the cosmic microwave background (CMB), leaving a negative imprint on the CMB convergence |$\kappa$|⁠. This effect provides insight into the distribution of matter within voids, and can also be used to study the growth of structure. We measure this lensing imprint by cross-correlating the Planck CMB lensing convergence map with voids identified in the Dark Energy Survey Year 3 (DES Y3) data set, covering approximately 4200 deg|$^2$| of the sky. We use two distinct void-finding algorithms: a 2D void-finder that operates on the projected galaxy density field in thin redshift shells, and a new code, Voxel, which operates on the full 3D map of galaxy positions. We employ an optimal matched filtering method for cross-correlation, using the Marenostrum Institut de Ciències de l’Espai N-body simulation both to establish the template for the matched filter and to calibrate detection significances. Using the DES Y3 photometric luminous red galaxy sample, we measure |$A_\kappa$|⁠, the amplitude of the observed lensing signal relative to the simulation template, obtaining |$A_\kappa = 1.03 \pm 0.22$| (⁠|$4.6\sigma$| significance) for Voxel and |$A_\kappa = 1.02 \pm 0.17$| (⁠|$5.9\sigma$| significance) for 2D voids, both consistent with Lambda cold dark matter expectations. We additionally invert the 2D void-finding process to identify superclusters in the projected density field, for which we measure |$A_\kappa = 0.87 \pm 0.15$| (⁠|$5.9\sigma$| significance). The leading source of noise in our measurements is Planck noise, implying that data from the Atacama Cosmology Telescope, South Pole Telescope and CMB-S4 will increase sensitivity and allow for more precise measurements.

79 ASTRONOMY AND ASTROPHYSICS↗