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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Machine learning based inverse modeling of full-field strain distribution for mechanical characterization of a linear elastic and heterogeneous membrane

Heterogeneous membranes or films are thin and soft structures with spatial variations in material property and thickness. Mechanical behavior of heterogeneous membranes is not well understood, mainly due to the difficulty in obtaining accurate and reliable material property data. To understand the mechanical behavior of these materials, accurate and efficient characterization methods for heterogeneous membranes are needed. Here, in this paper, an inverse method based on machine learning is developed to efficiently extract mechanical properties from full-field strain distributions. This approach is demonstrated on a flat heterogeneous membrane with uniform thickness formed by up to four linear elastic synthetic materials in a grid arrangement, and deforming in a moderate strain range (true strain ~10%). The results show that the machine learning method achieves accuracy comparable to the traditional inverse finite element method, and is 6 orders of magnitude faster in the demonstrated case studies.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Nanoscale Spatial Distribution of Supported Nanoparticles Controls Activity and Stability in Powder Catalysts for CO Oxidation and Photocatalytic H 2 Evolution

Here we discuss, supported metal nanoparticles are essential components of high-performing catalysts, and their structures are intensely researched. In comparison, nanoparticle spatial distribution in powder catalysts is conventionally not quantified, and the influence of this collective property on catalyst performance remains poorly investigated. Here, we demonstrate a general colloidal self-assembly method to control uniformity of nanoparticle spatial distribution on common industrial powder supports. We quantify distributions on the nanoscale using image statistics and show that the type of nanospatial distribution determines not only the stability, but also the activity of heterogeneous catalysts. Widely investigated systems (Au–TiO 2 for CO oxidation thermocatalysis and Pd–TiO 2 for H 2 evolution photocatalysis) were used to showcase the universal importance of nanoparticle spatial organization. Spatially and temporally resolved microkinetic modeling revealed that nonuniformly distributed Au nanoparticles suffer from local depletion of surface oxygen, and therefore lower CO oxidation activity, as compared to uniformly distributed nanoparticles. Nanoparticle spatial distribution also determines the stability of Pd–TiO 2 photocatalysts, because nonuniformly distributed nanoparticles sinter while uniformly distributed nanoparticles do not. This work introduces new tools to evaluate and understand catalyst collective (ensemble) properties in powder catalysts, which thereby pave the way to more active and stable heterogeneous catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Ensemble‐Based Spatially Distributed CLM5 Hydrological Parameter Estimation for the Continental United States

Abstract One of the major challenges in large‐domain hydrological modeling efforts lies in the estimation of spatially distributed hydrological parameters while simultaneously accounting for their associated uncertainties. Addressing this challenge is particularly difficult in ungauged locations. With growing societal demands for large‐scale streamflow projections to inform water resource management and long‐term planning, evaluating and constraining hydrological parameter uncertainty is increasingly vital. This study introduces a hybrid regionalization approach to enhance hydrological predictions of the Community Land Model version 5 (CLM5) across the Continental United States (CONUS), with a total of 50,629 1/8° grid cells. This hybrid method combines the strengths of two existing techniques: parameter regionalization and streamflow signature regionalization. It identifies ensemble behavioral parameters for each 1/8° grid cell across the CONUS domain, tailored to three distinct streamflow signatures focused on low flows, high flows, and annual water balance. Evaluating this hybrid method for 464 CAMELS (Catchment Attributes and Meteorology for Large‐sample Studies) basins demonstrates a significant improvement in CLM5 hydrological predictions, even in challenging arid regions. In CONUS applications, the derived spatially distributed parameter sets capture both spatial continuity and variation of parameters, highlighting their heterogeneous nature within specific regions. Overall, this hybrid regionalization approach offers a promising solution to the complex task of improving hydrological modeling over large domains for important hydrological applications.

CLM5↗
NASA NTRS2017

Assessment of the Impact of Spatial Heterogeneity on Microwave Satellite Soil Moisture Periodic Error

An accurate temporal and spatial characterization of errors is required for the efficient processing, evaluation, and assimilation of remotely-sensed surface soil moisture retrievals. However, empirical evidence exists that passive microwave soil moisture retrievals are prone to periodic artifacts which may complicate their application in data assimilation systems (which commonly treat observational errors as being temporally white). In this paper, the link between such temporally-periodic errors and spatial land surface heterogeneity is examined. Both the synthetic experiment and site-specified cases reveal that, when combined with strong spatial heterogeneity, temporal periodicity in satellite sampling patterns (associated with exact repeat intervals of the polar-orbiting satellites) can lead to spurious high frequency spectral peaks in soil moisture retrievals. In addition, the global distribution of the most prominent and consistent 8-day spectral peak in the Advanced Microwave Scanning Radiometer - Earth Observing System soil moisture retrievals is revealed via a peak detection method. Three spatial heterogeneity indicators - based on microwave brightness temperature, land cover types, and long-term averaged vegetation index - are proposed to characterize the degree to which the variability of land surface is capable of inducing periodic error into satellite-based soil moisture retrievals. Regions demonstrating 8-day periodic errors are generally consistent with those exhibiting relatively higher heterogeneity indicators. This implies a causal relationship between spatial land surface heterogeneity and temporal periodic error in remotely-sensed surface soil moisture retrievals.

Fangni Lei↗
DOE OSTI2021

Viromes outperform total metagenomes in revealing the spatiotemporal patterns of agricultural soil viral communities

Abstract Viruses are abundant yet understudied members of soil environments that influence terrestrial biogeochemical cycles. Here, we characterized the dsDNA viral diversity in biochar-amended agricultural soils at the preplanting and harvesting stages of a tomato growing season via paired total metagenomes and viral size fraction metagenomes (viromes). Size fractionation prior to DNA extraction reduced sources of nonviral DNA in viromes, enabling the recovery of a vaster richness of viral populations (vOTUs), greater viral taxonomic diversity, broader range of predicted hosts, and better access to the rare virosphere, relative to total metagenomes, which tended to recover only the most persistent and abundant vOTUs. Of 2961 detected vOTUs, 2684 were recovered exclusively from viromes, while only three were recovered from total metagenomes alone. Both viral and microbial communities differed significantly over time, suggesting a coupled response to rhizosphere recruitment processes and/or nitrogen amendments. Viral communities alone were also structured along an 18 m spatial gradient. Overall, our results highlight the utility of soil viromics and reveal similarities between viral and microbial community dynamics throughout the tomato growing season yet suggest a partial decoupling of the processes driving their spatial distributions, potentially due to differences in dispersal, decay rates, and/or sensitivities to soil heterogeneity.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Technical note: Using long short-term memory models to fill data gaps in hydrological monitoring networks

Abstract. Quantifying the spatiotemporal dynamics in subsurface hydrological flows over a long time window usually employs a network of monitoring wells. However, such observations are often spatially sparse with potential temporal gaps due to poor quality or instrument failure. In this study, we explore the ability of recurrent neural networks to fill gaps in a spatially distributed time-series dataset. We use a well network that monitors the dynamic and heterogeneous hydrologic exchanges between the Columbia River and its adjacent groundwater aquifer at the U.S. Department of Energy's Hanford site. This 10-year-long dataset contains hourly temperature, specific conductance, and groundwater table elevation measurements from 42 wells with gaps of various lengths. We employ a long short-term memory (LSTM) model to capture the temporal variations in the observed system behaviors needed for gap filling. The performance of the LSTM-based gap-filling method was evaluated against a traditional autoregressive integrated moving average (ARIMA) method in terms of error statistics and accuracy in capturing the temporal patterns of river corridor wells with various dynamics signatures. Our study demonstrates that the ARIMA models yield better average error statistics, although they tend to have larger errors during time windows with abrupt changes or high-frequency (daily and subdaily) variations. The LSTM-based models excel in capturing both high-frequency and low-frequency (monthly and seasonal) dynamics. However, the inclusion of high-frequency fluctuations may also lead to overly dynamic predictions in time windows that lack such fluctuations. The LSTM can take advantage of the spatial information from neighboring wells to improve the gap-filling accuracy, especially for long gaps in system states that vary at subdaily scales. While LSTM models require substantial training data and have limited extrapolation power beyond the conditions represented in the training data, they afford great flexibility to account for the spatial correlations, temporal correlations, and nonlinearity in data without a priori assumptions. Thus, LSTMs provide effective alternatives to fill in data gaps in spatially distributed time-series observations characterized by multiple dominant frequencies of variability, which are essential for advancing our understanding of dynamic complex systems.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

High-Performance Simulation of Dynamic Hydrologic Exchange and Implications for Surrogate Flow and Reactive Transport Modeling in a Large River Corridor

Hydrologic exchange flows (HEFs) have environmental significance in riverine ecosystems. Key river channel factors that influence the spatial and temporal variations of HEFs include river stage, riverbed morphology, and riverbed hydraulic conductivity. However, their impacts on HEFs were often evaluated independently or on small scales. In this study, we numerically evaluated the combined interactions of these factors on HEFs using a high-performance simulator, PFLOTRAN, for subsurface flow and transport. The model covers 51 square kilometers of a selected river corridor with large sinuosity along the Hanford Reach of the Columbia River in Washington, US. Three years of spatially distributed hourly river stages were applied to the riverbed. Compared to the simulation when riverbed heterogeneity is not ignored, the simulation using homogeneous riverbed conductivity underestimated HEFs, especially upwelling from lateral features, and overestimated the mean residence times derived from particle tracking. To derive a surrogate model for the river corridor, we amended the widely used transient storage model (TSM) for riverine solute study at reach scale with reactions. By treating the whole river corridor as a batch reactor, the temporal changes in the exchange rate coefficient for the TSM were derived from the dynamic residence time estimated from the hourly PFLOTRAN results. The TSM results were evaluated against the effective concentrations in the hyporheic zone calculated from the PFLOTRAN simulations. Our results show that there is potential to parameterize surrogate models such as TSM amended with biogeochemical reactions while incorporating small-scale process understandings and the signature of time-varying streamflow to advance the mechanistic understanding of river corridor processes at reach to watershed scales. However, the assumption of a well-mixed storage zone for TSM should be revisited when redox-sensitive reactions in the storage zones play important roles in river corridor functioning.

Fang, Yilin↗
DOE OSTI2026

Spatial Heterogeneity in Cloud Condensation Nuclei (SHINE) Field Campaign Report

Multiple land-atmosphere coupling processes influence the spatial distribution of boundary-layer energy, moisture, aerosol, or cloud condensation nuclei (CCN) properties. Accurately quantifying the spatial and temporal distributions of CCN concentrations is essential for investigating aerosol-cloud interactions and reducing uncertainties in aerosol radiative forcing estimates of Earth's system.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Dimensionality effects on multicomponent ionic transport and surface complexation in porous media

Coulombic interactions between charged species in pore water and at surface/solution interfaces are of pivotal importance for multicomponent reactive transport in porous media. In this study, we investigate the impact of domain dimensionality on electrostatically coupled dispersion and surface-solution reactions during transport of acidic plumes and major ions in porous media. Column and quasi two-dimensional flow-through experiments were performed, with identical silica porous media and under the same advection-dominated conditions. Equal mass fluxes of different electrolyte solutions (i.e., HCl - pH ~ 2.8, NaBr - 100 mM, HCl - pH ~ 2.8 plus NaBr - 100 mM) were continuously injected in the 1-D and 2-D experiments and breakthrough curves of pH and major ions were measured at the outlet of the domains. The presence of pronounced ionic strength gradients in the transverse direction in the 2-D setup caused distinct retardation and transport behaviors of protons and major ions which were not observed in the one-dimensional column experiments. Furthermore, in the cases of salt electrolytes injection, considerably enhanced release of H + (>61%) from the quartz surface was observed in the multidimensional system compared to the one-dimensional setup. Reactive transport modeling was performed to reproduce the experimental outcomes and to analyse the coupling between transport processes, based on the Nernst-Planck formulation of diffusive/dispersive fluxes and on surface complexation reactions at the solid-solution interface. Electrostatic interactions between Na + , B – , and H + , and deprotonation of the quartz surface upon the formation of sodium outer-sphere complexes, are the primary controllers of the spatial and temporal features displayed by the pH and major ions measurements. The reactive transport simulations allowed us to interpret the experimental observations, to visualize the distribution and spatio-temporal evolution of dissolved and solid species, to identify a spatially heterogeneous zonation of Coulombic interactions with distinct behavior at the fringe and core of the injected plumes in the multidimensional setup, and to quantify the different components of the Nerst-Planck fluxes of the charged solutes. This study demonstrates that the domain dimensionality directly affects electrostatic interactions between charged aqueous species in the pore water and surface complexation reactions at the solid-solution interface. The non-trivial effects of dimensionality on multicomponent ionic transport result in a significantly different behavior in 1-D and 2-D systems.

58 GEOSCIENCES↗
NASA NTRS1989

Tree canopy radiance measurement system

A system is described for obtaining both an estimate of the spatial mean bidirectional reflectance factor (BRF) for a tree canopy (displaying a horizontally heterogeneous foliage distribution) and the statistical significance of that estimate. The system includes a manlift supporting a horizontal beam 7 m long on which are mounted four radiometers. These radiometers may be pointed, and radiance data acquired, in any of 11 view directions in the principal plane of the sun. A total of 80 data points, acquired in 3 min, were used to estimate the BRF of a walnut orchard 5 m tall and detect true differences of 12 percent of the mean approximately 90 percent of the time.

Caldwell, William↗
DOE OSTI2020

Experimental investigation of multi-scale strain-field heterogeneity in rocks

Rocks have inherently heterogeneous micro-structures. The mechanical response of these heterogeneous micro-structures primarily governs the overall macroscopic behavior of intact rocks, as these features cause heterogeneity in the distribution of stress and strain within a rock volume. These attributes have generally been studied through numerical tools, but in this study, the stress-induced multi-scale spatial heterogeneity in the strain-field of three types of rocks was analyzed experimentally. The full-field non-contact strain measurement approach of 2D Digital Image Correlation (DIC) was employed for real-time evaluation of the progression of strain-field heterogeneity across the surface of the rock specimens when subjected to uniaxial compression. The results show that the strain-field heterogeneity is a characteristic of the inherent heterogeneity of the rock specimens, and that it amplifies with the magnitude of stress applied on the rock specimens. The changes in the strain-field heterogeneity with loading were consistent with established microcrack evolution processes in the rock specimens. The statistical fluctuation in the strain-field heterogeneity of the three rocks at varying gauge lengths (GL) was then analyzed for the determination of the Representative Volume Element (RVE) length-scale at increasing load levels. The evolution of the RVE length-scale with loading facilitates an objective way of determination of the stress at which the strain-field heterogeneity increases and begins to influence the overall global response of the material. The RVE length-scale variation with loading showed that at the RVE length-scale reaches the specimen-scale at load levels well below the peak strength.

2D-digital image correlation↗
NASA NTRS1994

Guaranteed time observations support for Faint Object Spectrograph (FOS) on HST

The goals of the GTO effort are for investigations defined in previous years by the IDT to be carried out as HST observations and for the results to be communicated to the scientific community and to the public. The search for possible black holes in the nuclei of both normal and active nucleus galaxies has had to be delayed to the post-servicing era. FOS spectropolarimetric observations of the nuclear region of the peculiar Seyfert galaxy Mrk 231 reveal that the continuum polarization peaks at 18% in the near UV and then declines rapidly toward shorter wavelengths. The papers on the absorption line analysis for our galactic halo address the spatial distribution of high and intermediate level ions in the halo and illustrate the patchy and heterogeneous nature of the halo. The papers on the scattering characteristics of the HST/FOS have provided us with data that shows that the HST mirror surfaces are quite smooth, even at the UV wavelengths. WF-PC and FOC images of the halo PN K648 have been fully analyzed.

Harms, Richard↗
DOE OSTI2024

Microstrain screening towards defect-less layered transition metal oxide cathodes

Microstrain and the associated surface-to-bulk propagation of structural defects are known to be major roadblocks to developing high-energy and long-life batteries. However, the origin and effects of microstrain during the synthesis of battery materials remain largely unknown. Here, in this study, we perform microstrain screening during real-time and realistic synthesis of sodium layered oxide cathodes. Evidence gathered from multiscale in situ synchrotron X-ray diffraction and microscopy characterization collectively reveals that the spatial distribution of transition metals within individual precursor particles strongly governs the nanoscale phase transformation, local charge heterogeneity and accumulation of microstrain during synthesis. This unexpected dominance of transition metals results in a counterintuitive outward propagation of defect nucleation and growth. These insights direct a more rational synthesis route to reduce the microstrain and crystallographic defects within the bulk lattice, leading to significantly improved structural stability. The present work on microstrain screening represents a critical step towards synthesis-by-design of defect-less battery materials.

25 ENERGY STORAGE↗
NASA NTRS1998

Carbonates in fractures of Martian meteorite Allan Hills 84001: petrologic evidence for impact origin

Carbonates in Martian meteorite Allan Hills 84001 occur as grains on pyroxene grain boundaries, in crushed zones, and as disks, veins, and irregularly shaped grains in healed pyroxene fractures. Some carbonate disks have tapered Mg-rich edges and are accompanied by smaller, thinner and relatively homogeneous, magnesite microdisks. Except for the microdisks, all types of carbonate grains show the same unique chemical zoning pattern on MgCO3-FeCO3-CaCO3 plots. This chemical characteristic and the close spatial association of diverse carbonate types show that all carbonates formed by a similar process. The heterogeneous distribution of carbonates in fractures, tapered shapes of some disks, and the localized occurrence of Mg-rich microdisks appear to be incompatible with growth from an externally derived CO2-rich fluid that changed in composition over time. These features suggest instead that the fractures were closed as carbonates grew from an internally derived fluid and that the microdisks formed from a residual Mg-rich fluid that was squeezed along fractures. Carbonate in pyroxene fractures is most abundant near grains of plagioclase glass that are located on pyroxene grain boundaries and commonly contain major or minor amounts of carbonate. We infer that carbonates in fractures formed from grain boundary carbonates associated with plagiociase that were melted by impact and dispersed into the surrounding fractured pyroxene. Carbonates in fractures, which include those studied by McKay et al. (1996), could not have formed at low temperatures and preserved mineralogical evidence for Martian organisms.

Carbonates/analysis↗
DOE OSTI2024

Simulated plant-mediated oxygen input has strong impacts on fine-scale porewater biogeochemistry and weak impacts on integrated methane fluxes in coastal wetlands

Methane (CH 4 ) emissions from wetland ecosystems are controlled by redox conditions in the soil, which are currently underrepresented in Earth system models. Plant-mediated radial oxygen loss (ROL) can increase soil O 2 availability, affect local redox conditions, and cause heterogeneous distribution of redox-sensitive chemical species at the root scale, which would affect CH 4 emissions integrated over larger scales. In this study, we used a subsurface geochemical simulator (PFLOTRAN) to quantify the effects of incorporating either spatially homogeneous ROL or more complex heterogeneous ROL on model predictions of porewater solute concentration depth profiles (dissolved organic carbon, methane, sulfate, sulfide) and column integrated CH 4 fluxes for a tidal coastal wetland. From the heterogeneous ROL simulation, we obtained 18% higher column averaged CH 4 concentration at the rooting zone but 5% lower total CH 4 flux compared to simulations of the homogeneous ROL or without ROL. This difference is because lower CH 4 concentrations occurred in the same rhizosphere volume that was directly connected with plant-mediated transport of CH 4 from the rooting zone to the atmosphere. Sensitivity analysis indicated that the impacts of heterogeneous ROL on model predictions of porewater oxygen and sulfide concentrations will be more important under conditions of higher ROL fluxes or more heterogeneous root distribution (lower root densities). Despite the small impact on predicted CH 4 emissions, the simulated ROL drastically reduced porewater concentrations of sulfide, an effective phytotoxin, indicating that incorporating ROL combined with sulfur cycling into ecosystem models could potentially improve predictions of plant productivity in coastal wetland ecosystems.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Scaling Analysis of Two–Phase Flow in Fractal Permeability Fields

Fluid mixing in permeable media is essential in many practical applications. The mixing process is a consequence of velocity fluctuations owing to geological heterogeneities and mobility contrast of fluids. Heterogeneities in natural rocks are often spatially correlated, and their properties, such as permeability, may be described using fractal distributions. This work models the fractal characteristics of such permeability fields in which the covariance function is expressed as a power-law function. A generalized scaling relation is derived relating various fractal permeability fields using the magnitude of their fluctuations. Here, this relation reveals the self-similar behavior of two-phase flow in such permeable media. To that end, a recently developed, high-resolution numerical simulator is employed to validate the analytically derived scaling relations. Two flow problems are considered in which flow is governed by 1) a linear, and 2) a nonlinear transport equation. Due to the probabilistic representation of the fractal permeability fields, a sensitivity study is conducted for each flow scenario to determine the number of realizations required for statistical convergence. Scaling analysis is performed using ensemble averages of simulated saturation profiles and their mixing lengths. Results support the validity of the developed scaling relation across the range of investigated flow conditions at intermediate times. The dynamics of linear flow in the asymptotic regime is affected by the correlation structure of heterogeneity. In nonlinear flow, scaling behavior appears to be dominated by the degree of nonlinearity.

58 GEOSCIENCES↗
DOE OSTI2022

Neutron diffusion calculation in heterogeneous geometry based on local/global iteration using proper orthogonal decomposition

This study newly proposes a heterogeneous core calculation method based on local/global iteration using proper orthogonal decomposition (POD). By using the singular value decomposition (SVD) and the low-rank approximation, appropriate POD bases for expanding the neutron flux can be obtained from snapshot data of the neutron flux obtained by fine mesh calculations. By projection using the POD bases, the dimension of the target equation (e.g., discretized neutron diffusion equation) can be dramatically reduced. In the proposed method, POD is effectively applied to each single assembly calculation (local calculation). Furthermore, using the local/global iteration, the effective neutron multiplication factor and the neutron flux distribution in the whole core geometry can be obtained by combining the numerical results of the local calculation for each fuel assembly and the global calculation for the whole core. As a feasibility study, the proposed method is applied to a one-dimensional heterogeneous core analysis, and the accuracy is investigated by changing the total number of POD bases. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗