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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 775 records · Page 43
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

New self-consistent homogenization for thermo-elastic polycrystals with imperfect interfaces

Here we present a new thermo-elastic self-consistent formulation to calculate the thermo-mechanical response of polycrystalline aggregates with imperfect interfaces. The new model is based on an improved treatment of the effect of imperfect interfaces on the micromechanical response of the grains compared to pre-existing models. New expressions/algorithms are derived for the effective elastic and thermal properties, localization relations, and calculation of intragranular field fluctuations. In addition, derivation of a novel integral equation for the strain field in a heterogeneous elastic medium subjected to arbitrary thermal strain field and displacement jumps is presented. The new model is applied to study the effective thermo-elastic properties and average field fluctuations as a function of the interface properties for imperfectly-bonded triaminotrinitrobenzene (TATB) polycrystalline granular aggregates. The proposed formulation is general in the sense that it can be extended to other material systems and deformation regimes that require a proper consideration of the effect of imperfect interface properties on the material's thermo-mechanical response.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Linking water quality, fouling layer composition, and performance of reverse osmosis membranes

Fouling of polyamide membranes during reverse osmosis (RO) is a major challenge for adopting membrane technologies to treat highly contaminated waters, especially those containing organic foulants (e.g., natural organic matter (NOM), polysaccharides) and dominant cations (e.g., sodium, magnesium, calcium). Here, this work combines bench-scale membrane fouling experiments with detailed characterization of feedwater chemistry and fouling layer composition/morphology to reveal fundamental mechanisms of (in)organic fouling during RO. Divalent cations are shown to promote fouling by hydrophobic NOM containing aromatic and carboxyl groups, while NOM fouling in the presence of a monovalent cation, sodium, occurs by smaller fulvic acids containing larger fractions of carboxyl groups and other oxygen-rich moieties. Calcium-carboxyl bridging occurs in solution and near the membrane surface to induce NOM aggregation on nanometer length scales. In complex waters containing foulant mixtures, co-fouling by calcium-carboxyl bridging and CaCO 3 precipitation influence membrane performance at longer timeframes. However, the flux decline observed for the co-fouling mechanism was less significant than the sum of its parts, suggesting both synergistic and antagonistic fouling mechanisms should be considered in membrane design/operation. These results encourage the design of pretreatment processes to reduce concentrations of multivalent ions and hydrophobic NOM in RO feedwaters, and of membrane materials to limit attachment/deposition of aggregates to/on polyamide surfaces.

42 ENGINEERING↗
DOE OSTI2026

Omega-Limit Sets and Input-To-State Stability in Power Grids with Switching Equilibria

This paper studies a power transmission system with both conventional generators (CGs) and distributed energy assets (DEAs) providing frequency control. We consider an operating condition with demand aggregating two dynamic components: one that switches between different values on a finite set, and one that varies smoothly over time. Such dynamic operating conditions may result from protection scheme activations, external cyber-attacks, or due to the integration of dynamic loads, such as data centers. Mathematically, the dynamics of the resulting system are captured by a system that switches between a finite number of vector fields - or modes -, with each mode having a distinct equilibrium point induced by the demand aggregation. To analyze the stability properties of the resulting switching system, we leverage tools from hybrid dynamic inclusions and the concept of ..omega.. -limit sets from sets. Specifically, we characterize a compact set that is semi-globally practically asymptotically stable under the assumption that the switching frequency and load variation rate are sufficiently slow. For arbitrarily fast variations of the load, we use a level-set argument with multiple Lyapunov functions to establish input-to-state stability of a larger set and with respect to the rate of change of the loads. The theoretical results are illustrated via numerical simulations on the IEEE 39-bus test system.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2020

Utilizing ink composition to tune bulk-electrode gas transport, performance, and operational robustness for a Fe-N-C catalyst in polymer electrolyte fuel cell

With lower site density and turnover frequency, platinum group metal (PGM)-free catalysts based electrodes are often greater than 50 mu m thick in order to increase performance across the fuel cell operating range. Consequently, PGM-free electrodes have an additional bulk electrode transport resistance beyond the local or aggregate level transport in thin platinum-based electrodes. In parallel to the development of more active and durable PGM-free catalysts, advancements in understanding the interplay between PGM-free electrode fabrication, bulk-electrode transport, proton conductivity and performance are needed. Here, the relationship between ionic and gas phase transport through the electrode thickness is modified by adjusting electrocatalyst and ionomer flocculation/interaction at the ink level. The influence of the ink composition (water/n-propanol content) is examined via various in-situ electrochemical and ex-situ characterization techniques and the resulting electrode structure/performance relationship contrasted with electrode performance robustness across a range of relative humidity (RH). For the electrocatalyst examined here, a water-rich (82 wt% H2O) ink formulation was favorable for operation at high RH due to improved molecular diffusion through larger electrode pores. In contrast, the improved interactions between ionomer and electrocatalyst enabled a more robust electrode and higher performance during low RH operation for the 50 wt% H2O content ink.

08 HYDROGEN↗
DOE OSTI2021

Mesoscale-architecture-based crack evolution dictating cycling stability of advanced lithium ion batteries

The cracking phenomenon of Ni-rich NMC (LiNixMnyCo1-x-yO2, x = 0.6) secondary particles is frequently discovered and believed to be one of critical reasons deteriorating the long-term cycling stability of NMC cathode in lithium ion batteries (LIBs). However, the initiation and evolution of those cracks is still controversial due to the limited quantification especially by in situ monitoring, leading to the challenge of identifying an efficient approach to inhibit the formation of the fractures during repeated cycling. Herein, the irreversible, anisotropic cycling lattice and mesoscale expansion/shrinkage of nano-grain during the first cycle, as revealed by in situ X-ray diffraction (XRD) and in situ atomic force microscopy (AFM), have been quantified and confirmed to be the dominant driving forces of microcracks initiation at the grain boundaries. These microcracks preferentially nucleates at the core region with random oriented nano-grains in early stage. The further growth and aggregation of microcracks into macrocrack eventually results in microfracture propagation radially outward to the periphery region with more uniform nano-grain orientation. This mesoscale nano-grain architecture controlled cracking process highlight the importance of predictive synthesis of cathode materials with controllable multiscale crystalline architecture for high-performance LIBs.

25 ENERGY STORAGE↗
DOE OSTI2021

Superior long-term cycling of high-voltage lithium-ion batteries enabled by single-solvent electrolyte

A new single-solvent electrolyte system comprising lithium bis(fluorosuflonyl) imide (LiFSI) and beta-fluorinated sulfone (TFPMS) was designed to enable very stable long-term cycling of high-voltage lithium-ion batteries. Compared to other fluorinated solvents such as alpha-fluorinated sulfone (FMES) and fluorinated carbonate (FEMC), which are prone to reduction on the graphite anode, the LiFSI-TFPMS system displayed outstanding compatibility with graphite. While regular carbonate and sulfone from the LiFSI electrolyte system are compatible with the graphite anode, their high solvating power not only induces severe corrosion on the aluminum cathode current collector at high voltage, but also renders a low aggregation level at a normal salt concentration (about 1.0 M), resulting in the formation of an unstable solid-electrolyte interphase (SEI) on the graphite anode. Owing to the low solvating power of TFPMS, the aggregation level of the LiFSI-TFPMS system is relatively high even at normal salt concentration, which not only facilitates the formation of a robust SEI by the sacrificial decomposition of LiFSI, but also suppresses the aluminum corrosion of the LiFSI electrolyte system at high voltage. Together with the high intrinsic anodic stability of TFPMS, the superior cycling performance of graphite parallel to LiNi 0.6 Co 0.2 Mn 0.2 O 2 cells was achieved by employing the non-flammable LiFSI-TFPMS single-solvent electrolyte system.

25 ENERGY STORAGE↗
DOE OSTI2021

Development of a Reference Database for Beta-Delayed Neutron Emission

Beta-delayed neutron emission is important for nuclear structure and astrophysics as well as for reactor applications. Significant advances in nuclear experimental techniques in the past two decades have led to a wealth of new measurements that remain to be incorporated in the databases. In this work, we report on a coordinated effort to compile and evaluate all the available β-delayed neutron emission data. The different measurement techniques have been assessed and the data have been compared with semi-microscopic and microscopic-macroscopic models. The new microscopic database has been tested against aggregate total delayed neutron yields, time-dependent group parameters in 6-and 8-group re-presentation, and aggregate delayed neutron spectra. New recommendations of macroscopic delayed-neutron data for fissile materials of interest to applications are also presented. The new Reference Database for Beta-Delayed Neutron Emission Data is available online.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Effect of stereochemistry on nanoscale assembly of ABA triblock copolymers with crystallizable blocks

We report on the nanoscale assembly of poly(lactic acid)-b-poly(ethylene oxide)-b-poly(lactic acid) (PLA-PEO-PLA) triblock copolymers in water, focusing on the effect of stereochemistry, where the PLA blocks are statistical copolymers of l-lactide and d-lactide with l/d ratios of 100/0, 95/5, 90/10, 85/15, 75/25, and 50/50. Small-angle neutron scattering (SANS) shows a nearly constant d-spacing as concentration varies in triblock systems with l/d ratios of 90/10 and 95/5, which we attribute to inhomogeneity in the structure of these gels, supported by previous USANS and confocal microscopy studies. The SANS data fit well to a core-shell ellipsoid form factor model with a hard-sphere structure factor. Polymeric micelles with l/d ratios from 75/25 to 85/15 displayed very high aggregation numbers, consistent with a strong interaction between PLA chains and the enhanced storage modulus observed in rheological studies of these systems. While the 90/10 and 95/5 samples showed lower aggregation numbers, their SANS profiles shows close spacing between micelles, which may promote a high fraction of intermicellar bridging chains, also consistent with a higher storage modulus. Overall, these results provide insight into the micellar assembly behavior of block copolymers with a crystallizable block, and indicate that tuning stereochemistry of PLA-based block copolymers is an effective means of modifying micellar properties for specific applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Dispersion of modified fumed silica in elastomeric nanocomposites

In polymer nanocomposites, surface modification of silica aggregates can shield Coulombic interactions that inhibit agglomeration and formation of a network of agglomerates. Surface modification is usually achieved with silane coupling agents although carbon-coating during pyrolytic silica production is also possible. Pyrogenic silica with varying surface carbon contents were dispersed in styrene-butadiene (SBR) rubber to explore the impact on hierarchical dispersion, the emergence of meso-scale structures, and the rheological response. Pristine pyrogenic silica aggregates at concentrations above a critical value (related to the Debye screening length) display correlated meso-scale structures and poor filler network formation in rubber nanocomposites due to the presence of silanol groups on the surface. Here, in the present study, flame synthesized silica with sufficient surface carbon monolayers can mitigate the charge repulsion thereby impacting network structural emergence. The impact of the surface carbon on the van der Waals enthalpic attraction, a * , is determined. The van der Waals model for polymer nanocomposites is drawn through an analogy between thermal energy, k B T, and the accumulated strain, γ. The rheological response of the emergent meso-scale structures depends on the surface density of both carbon and silanol groups.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Computational predictions of porosities, pore size distributions, and conductivities of aerosol deposited particulate films

The structure and resulting physical properties of aerosol deposited particulate films are governed by the size distribution and morphology of the depositing particles as well as the physics governing particle deposition. While particulate film deposition processes are qualitatively understood, the link between particle characteristics and deposition physics to film properties has not been probed systematically. Here we apply a combination of Langevin dynamics deposition simulations, Monte Carlo pore size distribution calculations, and predictions of thermal conductivities to better establish such process parameter-film property relationships. Furthermore, we account for partial coalescence, polydispersity, and aggregate deposition. We establish that the deposition of polydisperse and aggregated particles leads to broadening of the pore size distribution function and an increase in the mode pore size. Via a non-continuum gas conductivity model, we show that aerosol deposited films can achieve porosities and thermal conductivities similar to conventional aerogels.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Multi-decade high-resolution regional hindcasts for wave energy resource characterization in U.S. coastal waters

Long-term, high-resolution, regional wave hindcast datasets were generated using unstructured-grid Simulating WAves Nearshore (SWAN) models for the U.S. coastal waters to support nearshore wave energy development in the U.S. including those bordering U.S. territorial islands. The model domains resolved the entire U.S. exclusive economic zones, with a spatial resolution of approximately 200 m nearshore. The regional SWAN models were driven by the global WAVEWATCH III® model outputs and run for a 42-year period from 1979 to 2020. Extensive model validations were performed using buoy observations and altimeter data. Regional resource characterization was performed based on hindcast data points at 2 km from shore and along the 100 m isobath. Aggregations of wave resource parameters were produced, and spatial and seasonal variations were analyzed for all the regions. Wave resource metrics recommended by international standards, including a 3-hour time series of six resource parameters, hourly frequency- and directionally resolved wave spectra at selected “virtual buoy” locations, and average-annual values of omni-directional wave power, significant wave height, and energy period are publicly disseminated through an Amazon Web Service and a Marine Energy Atlas web application tool to facilitate wave energy research and a wide range of coastal ocean applications.

16 TIDAL AND WAVE POWER↗
DOE OSTI2026

Measuring Success: A Refined Methodology for Estimating Long-term Continuous Improvement

Successful resource management systems require current and detailed feedback on operational and corporate-level performance. As corporate accountability concerns intensify, the precision and reliability of these performance metrics have become crucial. Traditional savings estimation methods can be difficult to understand, particularly linear regression, and can provide varying results. This paper reviews common efficiency metrics and highlights underlying mathematical inconsistencies when estimating total and percent savings with current methods. A refined approach to calculating long-term utility savings is proposed that simplifies current methodologies utilizing ratios to define an adjusted baseline, allowing for consistent and fair aggregation of results across multiple scales from resources to corporate performance. A simplified example demonstrates how the proposed methodology improves upon existing methods, especially in intermediate years. This paper’s major contributions are the simplified approach for converting modeled utility usage into estimated savings and the consistent roll-up methodology enabling more comparable, aggregable, and actionable results across scales.

Price, Chris [ORNL] (ORCID:0000000202007906)↗
DOE OSTI2022

A physical method for downscaling land surface temperatures using surface energy balance theory

Fine-resolution land surface temperature (LST) derived from thermal infrared remote sensing images is a good indicator of surface water status and plays an essential role in the exchange of energy and water between land and atmosphere. A physical surface energy balance (SEB)-based LST downscaling method (DTsEB) is developed to downscale coarse remotely sensed thermal infrared LST products with fine-resolution visible and near-infrared data. Here, the DTsEB method is advantageous for its ability to mechanically interrelate surface variables contributing to the spatial variation of LST, to quantitatively weigh the contributions of each related variable within a physical framework, and to efficaciously avoid the subjective selection of scaling factors and the establishment of statistical regression relationships. The applicability of the DTsEB method was tested by downscaling 12 scenes of 990 m Moderate Resolution Imaging Spectroradiometer (MODIS) and aggregated Advanced Spaceborne Thermal Emission and Reflection Radiometer (ASTER) LST products to 90 m resolution at six overpass times between 2005 and 2015 over three 9.9 km by 9.9 km cropland (mixed by grass, tree, and built-up land) study areas. Three typical LST downscaling methods, namely the widely applied TsHARP, the later developed least median square regression downscaling (LMS) and the geographically weighted regression (GWR), were introduced for intercomparison. The results showed that the DTsEB method could more effectively reconstruct the subpixel spatial variations in LST within the coarse-resolution pixels and achieve a better downscaling accuracy than the TsHARP, LMS and GWR methods. The DTsEB method yielded, on average, root mean square errors (RMSEs) of 2.01 K and 1.42 K when applied to the MODIS datasets and aggregated ASTER datasets, respectively, which were lower than those obtained with the TsHARP method, with average RMSEs of 2.41 K and 1.71 K, the LMS method, with average RMSEs of 2.35 K and 1.63 K, and the GWR method, with average RMSEs of 2.38 K and 1.64 K, respectively. The contributions of the related surface variables to the subpixel spatial variation in the LST varied both spatially and temporally and were different from each other. In summary, the DTsEB method was demonstrated to outperform the TsHARP, LMS, and GWR methods and could be used as a good alternative for downscaling LST products from coarse to fine resolution with high robustness and accuracy.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Field-scale dynamics of planting dates in the US Corn Belt from 2000 to 2020

Crop planting dates are a dynamic feature of agricultural systems that respond to short- and long-term climate signals, crop and cultivar selection, and technology changes. Planting date records are essential for yield gap analyses, accurate crop modeling, and tracking farmer adaptations to weather and climate change. Although planting dates have high variation at local scales due to heterogeneity in farm resources and decision-making, available long-term data on planting dates is largely restricted to aggregated regional statistics or, at best, satellite-derived datasets with limited spatiotemporal extent and at resolutions unable to distinguish individual fields (> 250 m). Here, we generated retrospective annual field-scale (30 m) planting date maps for both maize and soybeans spanning 2000-2020 across a 12 state region in the United States Corn Belt based on Landsat satellite data and a large ground sample of over 28,000 maize and soybean fields. Using training data from 2015-2020 for model selection, we found that planting date predictions improved with harmonic regression of Landsat data and additional annual weather covariates. The preferred random forests model approximately doubled performance compared to a null model based on state median planting dates, capturing 47% of field-level variation for maize (mean absolute error, MAE = 7.4 days) and 44% for soybeans (MAE = 7.5 days) against held-out ground truth test data for 2008-2014. We also evaluated the full 2000-2020 dataset with state agricultural statistics, finding strong agreement with median planting dates for maize (R 2 = 0.76, MAE = 4.4 days) and slightly lower agreement for soybeans (R 2 = 0.65, MAE = 5.4 days) when aggregated to the state level. We then used this new dataset to analyze environmental determinants of planting dates at a finer-scale than previously possible, controlling for unobserved variation at the sub-state district level. We found that during 2000-2020, each standard deviation increase in rainfall delayed planting by ~ 2.5 days, and fields with higher soil productivity ratings tended to be planted earlier. We did not find meaningful trends over the last two decades in planting dates for maize or soybeans, in contrast to trends towards earlier planting dates late last century and predicted for this period in climate adaptation studies. We hypothesize increases in early season rainfall may have inhibited these shifts towards earlier planting. Remotely sensed planting dates will be a useful tool for yield gap analyses, crop simulation modeling, and ongoing assessment of climate adaptation.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Mapping heat vulnerability in cities: A tale of two california cities

Extreme heat is a major cause of weather-related deaths in the United States. To address this, a heat vulnerability index (HVI) is crucial for assessing heat risk and identifying vulnerable urban areas and populations, supporting city planning and emergency response. Current HVI studies often use Principal Component Analysis (PCA) on environmental, socioeconomic, and medical data to aggregate vulnerability indicators into a single index. However, these fixed aggregation weights struggle to adapt to different use cases, which may require varying focuses. Moreover, existing tools primarily consider outdoor heat exposure, providing an incomplete picture of actual exposure, as people spend most of their time indoors. Our research introduces an HVI web mapping tool that addresses these gaps in the literature by: (1) allowing flexible weights to adapt to different use cases, and (2) uniquely integrating both outdoor and indoor heat exposure by considering building characteristics for a more comprehensive risk assessment. We demonstrated this tool in two California cities with contrasting climates: Fresno (inland, arid, hot summers) and Oakland (temperate coastal). This HVI mapping tool provides essential decision support for policymakers and stakeholders in both short-term heat mitigation and long-term urban planning for building interventions and infrastructure development.

BES↗
DOE OSTI2020

Experimental comparison of pyranometer, reflectometer, and spectrophotometer methods for the measurement of roofing product albedo

Albedo (solar reflectance) can be measured outdoors with a pyranometer or indoors with a hemispherical reflectometer or a spectrophotometer. The current study evaluates these methods and their applicability to roofing materials by measuring and comparing the ASTM E1918 (pyranometer), non-ASTM E1918A (alternative pyranometer), ASTM C1549 (reflectometer), and E903 (spectrophotometer) albedos of 10 roofing products, including three single-ply membranes, one asphalt shingle, three roofing aggregates, and three high-profile tiles. It uses full-size (4 m × 4 m) assemblies in the E1918 and E1918A trials; corrects the E1918 albedos to remove shadow and background errors; and evaluates C1549 and E903 albedos with two different irradiance spectra, one global horizontal and the other beam normal. E1918A albedos matched E1918 corrected (E1918_cor) albedos to within 0.036. Furthermore, agreement between C1549 air mass 1 global horizontal (C1549_G1) albedo and E1918_cor albedo was within 0.015 for membrane and shingle coupons, and within 0.031 for aggregates, though the uncertainty in the latter agreement was up to 0.043. After minor corrections, C1549_G1 albedos of flat or slightly convex tile chips were 0.032–0.052 higher than the E1918_cor albedos of their corresponding high-profile tile assemblies because high-profile surfaces have concavities. Switching to the beam-normal albedo C1549_1.5E increased the C1549 albedos of the 10 tested products by 0.004–0.054, with the largest increases (C1549_1.5E – C1549_G1) accruing to spectrally selective cool colors. Using C1549_1.5E albedo to characterize a chip of a cool-colored tile compounded the error induced by representing a high-profile surface by a flat or slightly convex specimen.

14 SOLAR ENERGY↗
DOE OSTI2023

Artificial extracellular matrix scaffolds of mobile molecules enhance maturation of human stem cell-derived neurons

Human induced pluripotent stem cell (hiPSC) technologies offer a unique resource for modeling neurological diseases. However, iPSC models are fraught with technical limitations including abnormal aggregation and inefficient maturation of differentiated neurons. These problems are in part due to the absence of synergistic cues of the native extracellular matrix (ECM). We report on the use of three artificial ECMs based on peptide amphiphile (PA) supramolecular nanofibers. All nanofibers display the laminin-derived IKVAV signal on their surface but differ in the nature of their non-bioactive domains. Here, we find that nanofibers with greater intensity of internal supramolecular motion have enhanced bioactivity toward hiPSC-derived motor and cortical neurons. Proteomic, biochemical, and functional assays reveal that highly mobile PA scaffolds caused enhanced β1-integrin pathway activation, reduced aggregation, increased arborization, and matured electrophysiological activity of neurons. Our work highlights the importance of designing biomimetic ECMs to study the development, function, and dysfunction of human neurons.

60 APPLIED LIFE SCIENCES↗