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DOE OSTI2022

Heating and Acceleration of Solar Wind by Parametric Decay Instability Mediated Turbulence

One of the main goals of this project to understand the origin of density fluctuations in the solar winds, as revealed by the NASA’s Flagship satellite Parker Solar Probe (PSP) measurements, which motivates us to simulate and analyze magnetohydrodynamic (MHD) turbulence in the compressible regime. To achieve this goal, we have developed a set of sophisticated turbulence driving methods to study how MHD turbulence will develop under different time-correlated fluctuations at large-scales. Another key advance is that we have developed a new 3+1 (three spatial plus time domain) 4D FFT analysis of simulation data-cubes so that we can perform the spatio-temporal spectrum and mode decomposition studies on MHD turbulence.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2018

Ultrasonic Model-Based Iterative Reconstruction with Spatially Variant Regularization for One-Sided Non-Destructive Evaluation

One-sided ultrasonic non-destructive evaluation (UNDE) uses ultrasound signals to investigate and inspect structures that are only accessible from one side. A widely used reconstruction technique in UNDE is the synthetic aperture focusing technique (SAFT). SAFT produces fast reconstruction and reasonable images for simple structures. However, for large complex structures, SAFT reconstructions suffer from noise and artifacts. To resolve some of the drawbacks of SAFT, an ultrasonic model-based iterative reconstruction (MBIR) algorithm, a method based on Bayesian estimation, was proposed that showed significant enhancement over SAFT in reducing noise and artifacts. In this paper, we build on previous investigations of the use of MBIR reconstruction on ultrasound data by proposing a spatially varying prior-model to account for artifacts from deeper regions and a 3D regularizer to account for correlations between scans from adjacent regions. We demonstrate that the use of the new prior model in MBIR can significantly improve reconstructions compared to SAFT and the previously proposed MBIR technique.

Almansouri, Hani↗

DOE OSTI2021

Are Methanol-Derived Foliar Methyl Acetate Emissions a Tracer of Acetate-Mediated Drought Survival in Plants?

Upregulation of acetate fermentation in plants has recently been described as an evolutionarily conserved drought survival strategy, with the amount of acetate produced directly correlating to survival. However, destructive measurements are required to evaluate acetate-linked drought responses, limiting the temporal and spatial scales that can be studied. Here, 13C-labeling studies with poplar (Populus trichocarpa) branches confirmed that methyl acetate is produced in plants from the acetate-linked acetylation of methanol. Methyl acetate emissions from detached leaves were strongly stimulated during desiccation, with total emissions decreasing with the leaf developmental stage. In addition, diurnal methyl acetate emissions from whole physiologically active poplar branches increased as a function of temperature, and light-dark transitions resulted in significant emission bursts lasting several hours. During experimental drought treatments of potted poplar saplings, light-dark methyl acetate emission bursts were eliminated while strong enhancements in methyl acetate emissions lasting > 6 days were observed with their initiation coinciding with the suppression of transpiration and photosynthesis. The results suggest that methyl acetate emissions represent a novel non-invasive tracer of acetate-mediated temperature and drought survival response in plants. The findings may have important implications for the future understanding of acetate-mediated drought responses to transcription, cellular metabolism, and hormone signaling, as well as its associated changes in carbon cycling and water use from individual plants to whole ecosystems.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2019

Spatio–Temporal Analysis of Deformation at San Emidio Geothermal Field, Nevada, USA Between 1992 and 2010

Although subsidence has been observed at the San Emidio geothermal field in Nevada using interferometric synthetic aperture radar since the early 1990s, the spatial extent and temporal evolution of the subsidence have not heretofore been quantified. Furthermore, the weather conditions and geographic location of San Emidio negatively affect interferometric image quality, causing low correlation amongst pairs. To address this, we introduce a new method for selecting pairs in areas of low correlation and small deformation signal using a minimum spanning tree method with a measure of image quality as the weighting criterion. We validate our pair selection approach by comparing our data products to SqueeSAR TM data products from a previous study at San Emidio. We also develop a deformation model which characterizes the spatial extent of subsidence at San Emidio in terms of volume change of the reservoir. After applying this deformation model to our data set of interferometric pairs, we examine the temporal relationship of the observed deformation with production and injection operations associated with geothermal power production.

Reinisch, Elena C. (ORCID:0000000252211921)↗

DOE OSTI2013

A HIGH-RESOLUTION STUDY OF THE ATOMIC HYDROGEN IN CO-RICH EARLY-TYPE GALAXIES

We present an analysis of new and archival Very Large Array H I observations of a sample of 11 early-type galaxies rich in CO, with detailed comparisons of CO and H I distributions and kinematics. The early-type sample consists of both lenticular and elliptical galaxies in a variety of environments. A range of morphologies and environments were selected in order to give a broader understanding of the origins, distribution, and fate of the cold gas in early-type galaxies. Six of the eleven galaxies in the sample are detected in both H I and CO. The H{sub 2} to H I mass ratios for this sample range from 0.2 to 120. The H I morphologies of the sample are consistent with that of recent H I surveys of early-type galaxies, which also find a mix of H I morphologies and masses, low H I peak surface densities, and a lack of H I in early-type galaxies that reside in high-density environments. The HI-detected galaxies have a wide range of H I masses (1.4 Multiplication-Sign 10{sup 6} to 1.1 Multiplication-Sign 10{sup 10} M{sub Sun }). There does not appear to be any correlation between the H I mass and morphology (E versus S0). When H I is detected, it is centrally peaked-there are no central kiloparsec-scale central H I depressions like those observed for early-type spiral galaxies at similar spatial resolutions and scales. A kinematic comparison between the H I and CO indicates that both cold gas components share the same origin. The primary goal of this and a series of future papers is to better understand the relationship between the atomic and molecular gas in early-type galaxies, and to compare the observed relationships with those of spiral galaxies where this relationship has been studied in depth.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

Multi-site assessment of the potential of fine resolution red-edge vegetation indices for estimating gross primary production

Gross primary production (GPP) models driven by fine resolution remote sensing data characterize the spatial and temporal heterogeneities in plant photosynthesis, which is largely dependent on biome-specific maximum photosynthetic capacity. The red-edge reflectance, sensitive to leaf chlorophyll content, is a good proxy of maximum photosynthetic capacity. More importantly, studies show that the red-edge reflectance-related chlorophyll content index (CIr) multiplied by the incident photosynthetic active radiation (PAR in ) strongly correlates to GPP estimated at carbon flux towers (GPP flux ). Yet, to the best of our knowledge, there is no systematic study investigating the general relationship between fine spatial resolution CIr and GPP among biomes and the relationship between CIr and maximum photosynthetic capacity in GPP models. To provide an overview on incorporating space-borne CIr into a GPP model, we applied fine resolution Sentinel-2-derived CIr and GPP flux over 57 flux sites representative of 10 biomes. We investigated the relationship between CIr and GPP flux , and the spatio-temporal relationship between CIr and ecosystem maximum photosynthetic capacity indicated by the potential ecosystem light use efficiency (LUE pot ). We also evaluated the relationship between other five vegetation indices (VIs) and GPP flux . Results showed that the CIr multiplied by PARin has a higher agreement (R 2 > 0.5) with GPP than other VIs. A universal relationship exists between the CIr multiplied by PARin and GPP, except for forest biomes. The CIr also strongly (R 2 > 0.5) relates to the LUE pot during the peak of the growing season. The CIr has a low spatial variance (CV = 0.25) among biomes, highlighting that CIr can be a proxy of maximum photosynthetic capacity in GPP models that do not require biome-dependent coefficients. This study provides insight for incorporating CIr into GPP models and better quantifying global terrestrial photosynthesis.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2014

Resolving microstructures in Z pinches with intensity interferometry

Nearly 60 years ago, Hanbury Brown and Twiss [R. Hanbury Brown and R. Q. Twiss, Nature 178, 1046 (1956)] succeeded in measuring the 30 nrad angular diameter of Sirius using a new type of interferometry that exploited the interference of photons independently emitted from different regions of the stellar disk. Its basis was the measurement of intensity correlations as a function of detector spacing, with no beam splitting or preservation of phase information needed. Applied to Z pinches, X pinches, or laser-produced plasmas, this method could potentially provide spatial resolution under one micron. A quantitative analysis based on the work of Purcell [E. M. Purcell, Nature 178, 1449 (1956)] reveals that obtaining adequate statistics from x-ray interferometry of a Z-pinch microstructure would require using the highest-current generators available. However, using visible light interferometry would reduce the needed photon count and could enable its use on sub-MA machines.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2013

THE STELLAR METALLICITY DISTRIBUTION FUNCTION OF THE GALACTIC HALO FROM SDSS PHOTOMETRY

We explore the stellar metallicity distribution function of the Galactic halo based on SDSS ugriz photometry. A set of stellar isochrones is calibrated using observations of several star clusters and validated by comparisons with medium-resolution spectroscopic values over a wide range of metal abundance. We estimate distances and metallicities for individual main-sequence stars in the multiply scanned SDSS Stripe 82, at heliocentric distances in the range 5-8 kpc and |b| > 35 Degree-Sign , and find that the in situ photometric metallicity distribution has a shape that matches that of the kinematically selected local halo stars from Ryan and Norris. We also examine independent kinematic information from proper-motion measurements for high Galactic latitude stars in our sample. We find that stars with retrograde rotation in the rest frame of the Galaxy are generally more metal poor than those exhibiting prograde rotation, which is consistent with earlier arguments by Carollo et al. that the halo system comprises at least two spatially overlapping components with differing metallicity, kinematics, and spatial distributions. The observed photometric metallicity distribution and that of Ryan and Norris can be described by a simple chemical evolution model by Hartwick (or by a single Gaussian distribution); however, the suggestive metallicity-kinematic correlation contradicts the basic assumption in this model that the Milky Way halo consists primarily of a single stellar population. When the observed metallicity distribution is deconvolved using two Gaussian components with peaks at [Fe/H] Almost-Equal-To -1.7 and -2.3, the metal-poor component accounts for {approx}20%-35% of the entire halo population in this distance range.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2014

The spatial structure of young stellar clusters. I. Subclusters

The clusters of young stars in massive star-forming regions show a wide range of sizes, morphologies, and numbers of stars. Their highly subclustered structures are revealed by the MYStIX project's sample of 31,754 young stars in nearby sites of star formation (regions at distances <3.6 kpc that contain at least one O-type star.) In 17 of the regions surveyed by MYStIX, we identify subclusters of young stars using finite mixture models—collections of isothermal ellipsoids that model individual subclusters. Maximum likelihood estimation is used to estimate the model parameters, and the Akaike Information Criterion is used to determine the number of subclusters. This procedure often successfully finds famous subclusters, such as the BN/KL complex behind the Orion Nebula Cluster and the KW-object complex in M 17. A catalog of 142 subclusters is presented, with 1-20 subclusters per region. The subcluster core radius distribution for this sample is peaked at 0.17 pc with a standard deviation of 0.43 dex, and subcluster core radius is negatively correlated with gas/dust absorption of the stars—a possible age effect. Based on the morphological arrangements of subclusters, we identify four classes of spatial structure: long chains of subclusters, clumpy structures, isolated clusters with a core-halo structure, and isolated clusters well fit by a single isothermal ellipsoid.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2014

Correlated Statistical Uncertainties in Coded-Aperture Imaging

In nuclear security applications, coded-aperture imagers provide the opportu- nity for a wealth of information regarding the attributes of both the radioac- tive and non-radioactive components of the objects being imaged. However, for optimum benefit to the community, spatial attributes need to be deter- mined in a quantitative and statistically meaningful manner. To address the deficiency of quantifiable errors in coded-aperture imaging, we present uncer- tainty matrices containing covariance terms between image pixels for MURA mask patterns. We calculated these correlated uncertainties as functions of variation in mask rank, mask pattern over-sampling, and whether or not anti- mask data are included. Utilizing simulated point source data, we found that correlations (and inverse correlations) arose when two or more image pixels were summed. Furthermore, we found that the presence of correlations (and their inverses) was heightened by the process of over-sampling, while correla- tions were suppressed by the inclusion of anti-mask data and with increased mask rank. As an application of this result, we explore how statistics-based alarming in nuclear security is impacted.

Fleenor, Matthew C↗

DOE OSTI2025

Subdiffraction Imaging of Carrier Dynamics in Halide Perovskite Semiconductors: Effects of Passivation, Morphology, and Ion Motion

In this article, we spatially resolve photocarrier dynamics in halide perovskites using time-resolved electrostatic force microscopy (trEFM) to map surface potential equilibration during photoexcitation. We present a unified interpretation of trEFM, which measures the evolution of the surface potential in response to photoexcitation. We show that trEFM measurements correlate with surface recombination velocity and carrier lifetimes, validated with time-resolved photoluminescence imaging. We further validate the interpretation of trEFM through wavelength- and intensity-dependent measurements and with drift-diffusion simulations. We compare several passivation agents, including (3-aminopropyl)trimethoxysilane (APTMS), [3-(2-aminoethylamino)propyl]trimethoxysilane (AEAPTMS), and phenethylammonium iodide (PEAI). The results reveal heterogeneity in surface potential equilibration times that correlates with perovskite film morphology and nanoscale variations in recombination dynamics following surface passivation. Not only do our results highlight the potential for further improvement of passivation strategies, but also the necessity of high spatial and temporal resolution methods, like trEFM, to evaluate next-generation semiconductors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2013

PROBING THE PRE-REIONIZATION EPOCH WITH MOLECULAR HYDROGEN INTENSITY MAPPING

Molecular hydrogen is now understood to be the main coolant of the primordial gas clouds leading to the formation of the very first stars and galaxies. The line emissions associated with molecular hydrogen should then be a good tracer of the matter distribution at the onset of the reionization of the universe. Here, we propose intensity mapping of H{sub 2} line emission in rest-frame mid-infrared wavelengths to map out the spatial distribution of gas at redshifts z > 10. We calculate the expected mean intensity and clustering power spectrum for several H{sub 2} lines. We find that the 0-0S(3) rotational line at a rest wavelength of 9.66 {mu}m is the brightest line over the redshift range of 10-30 with an intensity of about 5-10 Jy sr{sup -1} at z {approx} 15. To reduce astrophysical and instrumental systematics, we propose the cross-correlation between multiple lines of the H{sub 2} rotational and vibrational line emission spectrum. Our estimates of the intensity can be used as guidance in planning instruments for future mid-IR spectroscopy missions such as SPICA.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2013

Linear-scaling explicitly correlated treatment of solids: Periodic local MP2-F12 method

Theory and implementation of the periodic local MP2-F12 method in the 3*A fixed-amplitude ansatz is presented. The method is formulated in the direct space, employing local representation for the occupied, virtual, and auxiliary orbitals in the form of Wannier functions (WFs), projected atomic orbitals (PAOs), and atom-centered Gaussian-type orbitals, respectively. Local approximations are introduced, restricting the list of the explicitly correlated pairs, as well as occupied, virtual, and auxiliary spaces in the strong orthogonality projector to the pair-specific domains on the basis of spatial proximity of respective orbitals. The 4-index two-electron integrals appearing in the formalism are approximated via the direct-space density fitting technique. In this procedure, the fitting orbital spaces are also restricted to local fit-domains surrounding the fitted densities. The formulation of the method and its implementation exploits the translational symmetry and the site-group symmetries of the WFs. Test calculations are performed on LiH crystal. The results show that the periodic LMP2-F12 method substantially accelerates basis set convergence of the total correlation energy, and even more so the correlation energy differences. The resulting energies are quite insensitive to the resolution-of-the-identity domain sizes and the quality of the auxiliary basis sets. The convergence with the orbital domain size is somewhat slower, but still acceptable. Moreover, inclusion of slightly more diffuse functions, than those usually used in the periodic calculations, improves the convergence of the LMP2-F12 correlation energy with respect to both the size of the PAO-domains and the quality of the orbital basis set. At the same time, the essentially diffuse atomic orbitals from standard molecular basis sets, commonly utilized in molecular MP2-F12 calculations, but problematic in the periodic context, are not necessary for LMP2-F12 treatment of crystals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2014

Control of waveguide properties by tuning femtosecond laser induced compositional changes

Local compositional changes induced by high repetition rate fs-laser irradiation can be used to produce high performance optical waveguides in phosphate-based glasses. The waveguide refractive index contrast is determined by the local concentration of La, which can be changed by the action of the writing laser pulses. In this work, we have investigated the degree of control that can be exerted using this waveguide writing mechanism over the cross-section of the guiding region, and the local refractive index and compositional changes induced. These variables can be smoothly controlled via processing parameters using the slit shaping technique with moderate Numerical Aperture (NA 0.68) writing optics. The combined use of X-ray microanalysis and near field refractive index profilometry evidences a neat linear correlation between local La content and refractive index increase over a broad Δn interval (>3 × 10{sup −2}). This result further confirms the feasibility of generating efficient, integrated optics elements via spatially selective modification of the glass composition.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2015

Observing the setting and hardening of cementitious materials by X-ray dark-field radiography

Novel X-ray imaging methods expand conventional attenuation-based X-ray radiography by the phase- and the dark-field contrasts. While weakly absorbing structures in the specimen can be better visualized in phase contrast, the dark-field contrast provides information about morphological sub-pixel microstructures. Here we report an application of dark-field X-ray radiography for imaging the time-resolved setting process in fresh cement. Our results demonstrate that the microstructural changes within the cement result in a decreasing dark-field signal. We quantify this imaging signal with a time-dependent dark-field scatter coefficient and show its good correlation with the compressional wave velocity. We further present images based on a pixel-wise analysis of the scattering signal and a corresponding logistic fit. These images emphasize the benefit of dark-field imaging of cementitious materials as it provides two dimensional spatial information on the processes within the sample while other established testing techniques only provide information on the bulk average.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Scale-dependent spatial variabilities of hydrological exchange flows and transit time in a large regulated river

Hydrological exchange flows (HEF) across the river-aquifer interface and the associated residence time of river water in the aquifer have important implications for contaminant plume migration and biogeochemical processes in the river corridor. HEFs and residence time are influenced by both subsurface physical features and hydrologic forcing related to the transport process, which can exhibit complex spatial and temporal variations. In this study, we used a massively parallel subsurface flow model and a particle-tracking model to study the influences of different control factors on spatial variability of HEFs and residence time distributions (RTD) in the Hanford Reach of the Columbia River in Washington State. A total number of 100M particles were randomly injected in time and space and then tracked in a model domain that covers a 51-km 2 area (15.1M model cells). We used hourly river stages and groundwater levels to drive the model to provide dynamic velocity fields for the particle tracking in the simulation period that was longer than 2 years. The groundwater flow simulation and particle-tracking results provide the first comprehensive assessment of the spatial distribution of HEFs and residence time in large complex river corridors. Overall, our results show that the aquifer hydrogeological structure has the strongest correlation with the extent and magnitude of exchange flux. The residence time exhibits complex patterns that are impacted by all the river geomorphologic, hydrodynamic, and hydrogeologic factors and are strongly correlated with the downwelling ratio of exchange flux. The new insights gained through this study can be used to support the development of reduced-order models of HEFs and RTDs for large complex river systems.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2016

Garrotxa cosmological simulations of milky way-sized galaxies: general properties, hot-gas distribution, and missing baryons

We introduce a new set of simulations of Milky Way (MW)-sized galaxies using the AMR code ART + hydrodynamics in a Λ cold dark matter cosmogony. The simulation series is called GARROTXA and it follows the formation of a halo/galaxy from z = 60 to z = 0. The final virial mass of the system is ∼7.4 × 10{sup 11} M {sub ⊙}. Our results are as follows. (a) Contrary to many previous studies, the circular velocity curve shows no central peak and overall agrees with recent MW observations. (b) Other quantities, such as M-∗(6 × 10{sup 10} M {sub ⊙}) and R {sub d} (2.56 kpc), fall well inside the observational MW range. (c) We measure the disk-to-total ratio kinematically and find that D/T = 0.42. (d) The cold-gas fraction and star formation rate at z = 0, on the other hand, fall short of the values estimated for the MW. As a first scientific exploitation of the simulation series, we study the spatial distribution of hot X-ray luminous gas. We have found that most of this X-ray emitting gas is in a halo-like distribution accounting for an important fraction but not all of the missing baryons. An important amount of hot gas is also present in filaments. In all our models there is not a massive disk-like hot-gas distribution dominating the column density. Our analysis of hot-gas mock observations reveals that the homogeneity assumption leads to an overestimation of the total mass by factors of 3–5 or to an underestimation by factors of 0.7–0.1, depending on the used observational method. Finally, we confirm a clear correlation between the total hot-gas mass and the dark matter halo mass of galactic systems.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2013

Higher order harmonic detection for exploring nonlinear interactions with nanoscale resolution

Nonlinear dynamics underpin a vast array of physical phenomena ranging from interfacial motion to jamming transitions. In many cases, insight into the nonlinear behavior can be gleaned through exploration of higher order harmonics. Here, a method using band excitation scanning probe microscopy (SPM) to investigate higher order harmonics of the electromechanical response, with nanometer scale spatial resolution is presented. The technique is demonstrated by probing the first three harmonics of strain for a Pb(Zr 1-x Ti x )O 3 (PZT) ferroelectric capacitor. It is shown that the second order harmonic response is correlated with the first harmonic response, whereas the third harmonic is not. Additionally, measurements of the second harmonic reveal significant deviations from Rayleigh-type models in the form of a much more complicated field dependence than is observed in the spatially averaged data. These results illustrate the versatility of n th order harmonic SPM detection methods in exploring nonlinear phenomena in nanoscale materials.

36 MATERIALS SCIENCE↗