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DOE OSTI2026

Measuring pH Changes Inside a Bipolar Membrane Junction

Here, the local pH environment within bipolar membrane (BPM) junctions is complex and not well understood, yet it is important to control for advancing the performance of BPM-based electrochemical systems. We report a voltammetric strategy using an ultrathin Ni mesh pH probe to spatially resolve pH changes in the BPM junction during model BPM electrolyzer operation. Under reverse bias, we observe depletion of OH – at the anion-exchange layer (AEL) interface, with a degree diminishing with increasing distance from the AEL. These gradients correlate with current-dependent water dissociation (WD) and are modulated by the electric field and the surface charge state of the catalyst. By correlating spatial pH profiles with the surface-charging behavior of WD catalysts, we explore a mechanism of catalyst-mediated H + and OH – transfer facilitated by hydrogen-bonding networks. These findings highlight the role of local chemistry and electrostatics in BPM performance and offer new methods to probe and engineer catalytic junctions in electrochemical energy devices.

Hou, Shujin [University of California, Berkeley, C↗

NASA NTRS1992

Advanced optical instruments technology

The science objectives for proposed NASA missions for the next decades push the state of the art in sensitivity and spatial resolution over a wide range of wavelengths, including the x-ray to the submillimeter. While some of the proposed missions are larger and more sensitive versions of familiar concepts, such as the next generation space telescope, others use concepts, common on the Earth, but new to space, such as optical interferometry, in order to provide spatial resolutions impossible with other concepts. However, despite their architecture, the performance of all of the proposed missions depends critically on the back-end instruments that process the collected energy to produce scientifically interesting outputs. The Advanced Optical Instruments Technology panel was chartered with defining technology development plans that would best improve optical instrument performance for future astrophysics missions. At this workshop the optical instrument was defined as the set of optical components that reimage the light from the telescope onto the detectors to provide information about the spatial, spectral, and polarization properties of the light. This definition was used to distinguish the optical instrument technology issues from those associated with the telescope, which were covered by a separate panel. The panel identified several areas for optical component technology development: diffraction gratings; tunable filters; interferometric beam combiners; optical materials; and fiber optics. The panel also determined that stray light suppression instruments, such as coronagraphs and nulling interferometers, were in need of general development to support future astrophysics needs.

Shao, Mike↗

NASA NTRS1990

Toward mapping the UV circumstellar shells of late-type stars

Detection of spatially resolved circumstellar matter surrounding selected cool stars, using off-source observations made with the International Ultraviolet Explorer satellite, is reported. The data demonstrate that: (1) the instrumental scattered light profile of IUE appears to depend on the ultraviolet color temperature of the star observed, and (2) certain red stars show signal in excess of the instrumental levels, at spatial offsets of 10 to 20 arc-seconds from the star.

Stencel, Robert E.↗

NASA NTRS2004

Spatially Complete Global Surface Albedos Derived from Terra/MODIS Data

Spectral land surface albedo is an important parameter for describing the radiative properties of the Earth. Accordingly it reflects the consequences of natural and human interactions, such as anthropogenic, meteorological, and phenological effects, on global and local climatological trends. Consequently, albedos are integral parts in a variety of research areas, such as general circulation models (GCMs), energy balance studies, modeling of land use and land use change, and biophysical, oceanographic, and meteorological studies. Recent production of land surface anisotropy, diffuse bihemispherical (white-sky) albedo and direct beam directional hemispherical (black-sky) albedo from observations acquired by the MODIS instruments aboard NASA s Terra and Aqua satellite platforms have provided researchers with unprecedented spatial, spectral, and temporal information on the land surface's radiative characteristics. Cloud cover, which cutails retrievals, and the presence of ephemeral and seasonal snow limit the snow-free data to approximately half the global land surfaces on an annual equal-angle basis. This precludes the MOD43B3 albedo products from being used in some remote sensing and ground-based applications, climate models, and global change research projects. An ecosystem-dependent temporal interpolation technique is described that has been developed to fill missing or seasonally snow-covered data in the official MOD43B3 albedo product. The method imposes pixel-level and local regional ecosystem-dependent phenological behavior onto retrieved pixel temporal data in such a way as to maintain pixel-level spatial and spectral detail and integrity. The phenological curves are derived from statistics based on the MODIS MOD12Q1 IGBP land cover classification product geolocated with the MOD43B3 data. The resulting snow-free value-added products provide the scientific community with spatially and temporally complete global white- and black-sky surface albedo maps and statistics. These products are stored on 1'(approximately 10 km) and coarser resolution equal-angle grids, and are computed for the first seven MODIS wavelengths, ranging from 0.47 through 2.1 microns, and for three broadband wavelengths, 0.3-0.7,0.3-5.0 and 0.7-5.0 microns.

King, Michael D.↗

DOE OSTI2023

Modeling spatial patterns of longleaf pine needle dispersal using long-term data

Abstract Background Predicting patterns of fire behavior and effects in frequent fire forests relies on an understanding of fine-scale spatial patterns of available fuels. Leaf litter is a significant canopy-derived fine fuel in fire-maintained forests. Litter dispersal is dependent on foliage production, stand structure, and wind direction, but the relative importance of these factors is unknown. Results Using a 10-year litterfall dataset collected within eighteen 4-ha longleaf pine ( Pinus palustris Mill.) plots varying in canopy spatial pattern, we compared four spatially explicit models of annual needle litter dispersal: a model based only on basal area, an overstory abundance index (OAI) model, both isotropic and anisotropic litter kernel models, and a null model that assumed no spatial relationship. The best model was the anisotropic model (R 2 = 0.656) that incorporated tree size, location, and prevailing wind direction, followed by the isotropic model (R 2 = 0.612), basal area model (R 2 = 0.488), OAI model (R 2 = 0.416), and the null model (R 2 = 0.08). Conclusions As with previous studies, the predictive capability of the litter models was robust when internally validated with a subset of the original dataset (R 2 = 0.196–0.549); however, the models were less robust when challenged with an independent dataset (R 2 = 0.122–0.319) from novel forest stands. Our model validation underscores the need for rigorous tests with independent, external datasets to confirm the validity of litter dispersal models. These models can be used in the application of prescribed fire to estimate fuel distribution and loading, as well as aid in the fine tuning of fire behavior models to better understand fire outcomes across a range of forest canopy structures.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1989

Time-dependent convection with non-Newtonian viscosity

A numerical model of bottom-heated, two-dimensional convection in boxes of aspect ratios 2.5 and 4.0 was used to study the differences in time-dependent convection between Newtonian and stress-dependent viscosity. The onset of time dependence due to boundary layer instability is found at approximately the same effective Rayleigh number for both rheologies. However, with increasing Rayleigh number, the temporal and spatial fluctuations in the flow field become much more pronounced with non-Newtonian rheology; also, the tendency for breakup of long cells into smaller ones is stronger. The presence of stress-dependent rheology can cause long-wavelength lateral viscosity variations up to an order of magnitude; this result could have strong implications for the interpretation of mantle viscosity from postglacial rebound.

Christensen, Ulrich R.↗

NASA NTRS1991

The connection between coronal bright points and the variability of the quiet-sun extreme-ultraviolet emission

An analysis of the EUV/Skylab data recorded at six wavelengths simultaneously and scanning the chromosphere to the corona is reported. The results show that, whether in a coronal hole or a quiet region, the significant variable emission in the quiet sun is preferentially localized in the enhanced emission produced by EUV bright points in the boundaries of network cells. The spatial density of the variable and enhanced emission varies with temperature, with a minimum at 3 x 10 exp 5 K which indicates two favored temperature distributions of small-scale loops in the quiet sun, one below 3 x 10 exp 5 K and one at coronal temperatures. The enhanced emission occupies between 10 and 25 percent of the solar surface, depending on the temperature, while the variable emission covers between 5 and 15 percent. For a given region, the spatial density at a given temperature does not vary in time by more than 10 percent about its mean value.

Habbal, Shadia R.↗

DOE OSTI2023

Development of a molecularly informed biogeochemical framework for reactive transport modeling of subsurface carbon inventories, transformations and fluxes (Final Report)

The overall objective of the project was to combine new molecular-level characterization strategies with soil carbon flux measurements to develop and evaluate model representations of subsurface carbon cycling. We expanded on existing studies in the East River watershed, Colorado, in collaboration with the Berkeley Lab Watershed Function Scientific Focus Area (SFA), SLAC Groundwater Quality SFA, and Rocky Mountain Biological Laboratory (RMBL) to develop an elevation and vegetation gradient that is now the subject of long-term monitoring by the USGS. To achieve the overall objective, we combined field studies of soil respiration with laboratory analyses, ranging from spectroscopy to incubation studies. This combination of techniques enabled us to develop a new understanding of the drivers of high-elevation soil respiration. In the process, we developed three new modeling approaches that improve our ability to conceptualize and ultimately to represent soil respiration in numerical models. The first approach is a plot-scale transient inverse model that can be used to determine in situ CO 2 production rates from measured concentration profiles and surface fluxes. Application of this method revealed the importance of plant phenology and deep CO 2 production in moderating CO 2 fluxes to the atmosphere. The second modeling approach is a molecular-scale tool that enables spectroscopic and elemental data for carbon speciation to be transformed into functional group abundances, or the ‘SOC-fga model’. This method uniquely enables carbon speciation to be tracked within a reactive transport framework to partition carbon among different pathways and storage zones within the soil. The third modeling tool builds strongly on the previous approaches and captures the microbial processes driving heterotrophic respiration. This ‘dormancy model’ allows the native soil microbial population to respond transiently to the presence or absence of water in order to catalyze carbon respiration. This approach was also compared to the simpler and more widely used first-order model using two experimental datasets with different temporal and spatial resolutions. Our results illustrate that the simpler first order model provides a robust and efficient representation of deep (>1 meter) soil respiration, but that shallow soils, where most respiration occurs, require explicit representation of moisture-dependent activation and dormancy rates. By assessing soil organic carbon turnover at multiple scales, we see a complex array of controls emerge. Atte scale of a hillslope, spatial heterogeneity in soil respiration rates dominates and is uncorrelated with instantaneous soil moisture and plant community. At the profile scale, the balance between plant inputs and water availability is the dominant control. At the microbial to molecular scale, physiological processes associated with carbon use and carbon speciation are important controls. These scale-dependent controls emphasize the need for new modeling approaches that examine their interactions and hierarchies.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Climate-Driven Legacies in Simulated Microbial Communities Alter Litter Decomposition Rates

The mechanisms underlying diversity-functioning relationships have been a consistent area of inquiry in biogeochemistry since the 1950s. Though these mechanisms remain unresolved in soil microbiomes, many approaches at varying scales have pointed to the same notion—composition matters. Confronting the methodological challenge arising from the complexity of microbiomes, this study used the model DEMENTpy, a trait-based modeling framework, to explore trait-based drivers of microbiome-dependent litter decomposition. We parameterized DEMENTpy for five sites along a climate gradient in Southern California, United States, and conducted reciprocal transplant simulations analogous to a prior empirical study. The simulations demonstrated climate-dependent legacy effects of microbial communities on plant litter decomposition across the gradient. This result is consistent with the previous empirical study across the same gradient. An analysis of community-level traits further suggests that a 3-way tradeoff among resource acquisition, stress tolerance, and yield strategies influences community assembly. Simulated litter decomposition was predictable with two community traits (indicative of two of the three strategies) plus local environment, regardless of the system state (transient vs. equilibrium). Although more empirical confirmation is still needed, community traits plus local environmental factors (e.g., environment and litter chemistry) may robustly predict litter decomposition across spatial-temporal scales. In conclusion, this study offers a potential trait-based explanation for climate-dependent community effects on litter decomposition with implications for improved understanding of whole-ecosystem functioning across scales.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Ferroelectric Self-Polarization Controlled Magnetic Stratification and Magnetic Coupling in Ultrathin La 0.67 Sr 0.33 MnO 3 Films

Multiferroic oxide heterostructures consisting of ferromagnetic and ferroelectric components hold the promise for nonvolatile magnetic control via ferroelectric polarization, advantageous for the low-dissipation spintronics. Modern understanding of the magnetoelectric coupling in these systems involves structural, orbital, and magnetic reconstructions at interfaces. Previous works have long proposed polarization-dependent interfacial magnetic structures; however, direct evidence is still missing, which requires advanced characterization tools with near-atomic-scale spatial resolutions. Here, extensive polarized neutron reflectometry (PNR) studies have determined the magnetic depth profiles of PbZr 0.2 Ti 0.8 O 3 /La 0.67 Sr 0.33 MnO 3 (PZT/LSMO) bilayers with opposite self-polarizations. When the LSMO is 2–3 nm thick, the bilayers show two magnetic transitions on cooling. However, temperature-dependent magnetization is different below the lower-temperature transition for opposite polarizations. PNR finds that the LSMO splits into two magnetic sublayers, but the inter-sublayer magnetic couplings are of opposite signs for the two polarizations. Near-edge X-ray absorption spectroscopy further shows contrasts in both the Mn valences and the Mn–O bond anisotropy between the two polarizations. Finally, this work completes the puzzle for the magnetoelectric coupling model at the PZT/LSMO interface, showing a synergic interplay among multiple degrees of freedom toward emergent functionalities at complex oxide interfaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2010

Detection of Multi-Layer and Vertically-Extended Clouds Using A-Train Sensors

The detection of mUltiple cloud layers using satellite observations is important for retrieval algorithms as well as climate applications. In this paper, we describe a relatively simple algorithm to detect multiple cloud layers and distinguish them from vertically-extended clouds. The algorithm can be applied to coincident passive sensors that derive both cloud-top pressure from the thermal infrared observations and an estimate of solar photon pathlength from UV, visible, or near-IR measurements. Here, we use data from the A-train afternoon constellation of satellites: cloud-top pressure, cloud optical thickness, the multi-layer flag from the Aqua MODerate-resolution Imaging Spectroradiometer (MODIS) and the optical centroid cloud pressure from the Aura Ozone Monitoring Instrument (OMI). For the first time, we use data from the CloudSat radar to evaluate the results of a multi-layer cloud detection scheme. The cloud classification algorithms applied with different passive sensor configurations compare well with each other as well as with data from CloudSat. We compute monthly mean fractions of pixels containing multi-layer and vertically-extended clouds for January and July 2007 at the OMI spatial resolution (l2kmx24km at nadir) and at the 5kmx5km MODIS resolution used for infrared cloud retrievals. There are seasonal variations in the spatial distribution of the different cloud types. The fraction of cloudy pixels containing distinct multi-layer cloud is a strong function of the pixel size. Globally averaged, these fractions are approximately 20% and 10% for OMI and MODIS, respectively. These fractions may be significantly higher or lower depending upon location. There is a much smaller resolution dependence for fractions of pixels containing vertically-extended clouds (approx.20% for OMI and slightly less for MODIS globally), suggesting larger spatial scales for these clouds. We also find higher fractions of vertically-extended clouds over land as compared with ocean, particularly in the tropics and summer hemisphere.

Joiner, J.↗

DOE OSTI2024

Modeling Rate Dependent Volume Change in Porous Electrodes in Lithium-Ion Batteries

Automotive manufacturers are working to improve individual cell, module, and overall pack design by increasing the performance, range, and durability, while reducing cost. One key piece to consider during the design process is the active material volume change, its linkage to the particle, electrode, and cell level volume changes, and the interplay with structural components in the rechargeable energy storage system. As the time from initial design to manufacture of electric vehicles decreases, design work needs to move to the virtual domain; therefore, a need for coupled electrochemical-mechanical models that take into account the active material volume change and the rate dependence of this volume change need to be considered. In this study, we illustrated the applicability of a coupled electrochemical-mechanical battery model considering multiple representative particles to capture experimentally measured rate dependent reversible volume change at the cell level through the use of an electrochemical-mechanical battery model that couples the particle, electrode, and cell level volume changes. By employing this coupled approach, the importance of considering multiple active material particle sizes representative of the distribution is demonstrated. The non-uniformity in utilization between two different size particles as well as the significant spatial non-uniformity in the radial direction of the larger particles is the primary driver of the rate dependent characteristics of the volume change at the electrode and cell level.

Electrochemistry↗

DOE OSTI2021

Observation of spatially resolved Rashba states on the surface of CH 3 NH 3 PbBr 3 single crystals

Hybrid organic-inorganic perovskites (HOIPs) are prime candidates for studying Rashba effects due to the heavy metal and halogen atoms in their crystal structure coupled with predicted inversion symmetry breaking. Nevertheless, observation of the Rashba effect in cubic CH 3 NH 3 PbBr 3 single crystals that possess bulk inversion symmetry is the subject of extensive debate due to the lack of conclusive experiments and theoretical explanations. In this work, we provide experimental evidence that Rashba state in cubic CH 3 NH 3 PbBr 3 single crystals at room temperature occurs exclusively on the crystal surface and depends on specific surface termination that results in local symmetry breaking. We demonstrate this using a suite of spatially resolved and depth-sensitive techniques, including circular photogalvanic effect, inverse spin Hall effect, and multiphoton microscopy, that are supported by first principle calculations. Our work suggests using surface Rashba states in these materials for spintronic applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2025

Probability Density Function for the spatial and intensity distribution of neutron-induced defects in Silicon

The ability to model semiconductor device degradation under neutron irradiation depends upon having a robust modeling capability for the neutron-induced collision cascades as well as a means to analytically fit the resulting probability distributions of defect production and ionizing energy deposition for purposes of extrapolation to low-probability, high-consequence scenarios. In this paper, the widely-utilized binary collision approximation codes MARLOWE and SRIM are deployed in conjunction with a critical examination of their parameterizations as benchmarked against higher-fidelity molecular dynamics simulations. A simple 3-parameter form described by the Generalized Logistic Distribution is shown to be a good fit to Frenkel pair and ionization intensity distributions in bulk silicon. The BCA codes are then applied to simulate cascades in 5 nm layers of a representative gate-all-around nanosheet transistor, where joint probability distributions of threshold levels of damage to multiple layers are evaluated.

36 MATERIALS SCIENCE↗

NASA NTRS1980

Solar limb emission lines near Ca II H & K and their spatial intensity variations

The paper employs solar observations of high spatial and spectral resolution to identify emission lines seen in the extended wings of Ca II H & K near the solar limb. Emission lines in the wings of H & K represent valuable diagnostics of the atmospheres of cool stars, with a varying information content which depends on their particular formation mechanism. In solar spectrograms different emission line formation mechanisms can be distinguished by the character of the spatial intensity variation (SIV) apparent in the lines. Various classes of H & K emission features, their spatial intensity variations and their formation mechanisms (of which some pose further problems) are discussed. A new extended list of line identifications is compiled based on their formation class and compared with other line lists. Evidence is found that stellar luminosity-sensitive lines tend to show large spatial intensity variation on the sun.

Rutten, R. J.↗

NASA NTRS1994

High-resolution observations of the Evershed effect in sunspots

High spatial resolution movies of sunspots taken at the Swedish Solar Observatory on La Palma reveal that the Evershed effect is time dependent. Outward proper motions are visible in both the continuum and Dopplergrams. These can be tracked over most of the width of the penumbra and overlap regions that show inward moving penubral grains. The radial spacing between the moving structures is about 2000 km, and they exhibit irregular repetitive behavior with a typical interval of 10 minutes. These are probably the cause of 10 minutes oscillations sometimes seen in a penumbral power spectra. Higher velocities are spatially correlated with the relatively darker regions between bright filaments. Regions with a strong variation in the Doppler signal show peak-to-peak modulations of 1 km/s on an average velocity of about 3-4 km/s. The proper motion velocity is approximately constant from the iner penumbra and generally larger than the Doppler velocity when both are interpreted as projections of horizontal motion. Regions where thay are consistent suggest a typical horizontal velocity of 3.5 km/s. Some proper motion velocites as high as 7 km/s are seen, but these are less certain. The temporal behavoir shows a correlation between increased Doppler signal and increased continuum intensity, the opposite of the spatial correlation. When spatially averaged across filaments and over time, the averaged Evershed effect has a peak horizontal component near the outer edge of the penumbra of 2.0 km/s with evidence for a 200-400 m/s upward component. The latter depends on an uncertain absolute velocity calibration. If real it could be an actual upward component or a penumbral analogue of the convective blueshift seen in the quiet Sun.

Shine, R. A.↗

NASA NTRS1990

Spatial analysis of IRAS observations of nearby spirals

The unbiased survey of the infrared sky carried out by the Infrared Astronomy Satellite (IRAS) satellite has greatly accelerated advances in understanding the dust component of our own and external galaxies. However, most extragalactic studies to date have been based on the IRAS Point Source Catalog (PSC), which has two serious limitations. First, in sources where a significant fraction of the flux is extended, significant errors may result from using PSC fluxes in comparative studies, and these errors could be systematic if the tendency to be non-pointlike depends on physical properties of the galaxy. Additionally, use of PSC fluxes rules out any direct investigation of the spatial distribution of the IRAS emission from disks in external galaxies. Since work on the Galactic IRAS results has shown that very different physical processes can make varying contributions to the observed flux, it is important to look at a wide sample of galaxies with some spatial resolution to study the relative dominance of these processes under a variety of conditions. Here, researchers report on work they are doing to carry out this program for many nearby spirals, using an analysis package that was developed for this purpose. Researchers carried out analysis for a sample of 121 nearby spirals. The fraction of the flux contained in a point source varies from 0 to 1 across the sample, all of which are well resolved at their nominal optical diameters. There is no evidence that the galaxies of smaller angular size are less likely to be resolved by IRAS at this level. The program gives results which are quite repeatable from scan to scan; the fraction f (point source flux over total flux) at 60 microns has typical errors of 0.03 when different scans are combined. Approximately two-thirds of the sample have more flux in the extended than in the nuclear component. There is a tendency for earlier-type spirals to be less centrally concentrated, but this effect is slight and the degree of variation is large for all types. Barred spirals are also found across the spectrum of f, but are much more likely to have little or no nuclear emission.

Ball, Roger↗

NASA NTRS2007

A Non-Radiative Transfer Approach to Radiometric Vicarious Calibration

TOA (top-of-atmosphere) radiance from high-spatial-resolution satellite imagery systems is important for a wide variety of research and applications. Many research initiatives require data with absolute radiometric accuracy better than a few percent. The conversion of satellite digital numbers to radiance depends on accurate radiometric calibration. A common method for determining and validating radiometric calibrations is to rely upon vicarious calibration approaches. Historically, vicarious calibration methods use radiative transfer codes with ground-based atmosphere and surface reflectance or radiance inputs for estimating TOA radiance values. These TOA radiance values are compared against the satellite digital numbers to determine the radiometric calibration. However, the radiative transfer codes used depend on many assumptions about the aerosol properties and the atmospheric point spread function. A measurement-based atmospheric radiance estimation approach for high-spatial-resolution, multispectral, visible/near-infrared sensors is presented that eliminates the use of radiative transfer codes and many of the underlying assumptions. A comparison between the radiative transfer and non-radiative transfer approaches is made.

Ryan, Robert↗