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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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
NASA NTRS2017

Precise Determination of the 1s Lamb Shift in Hydrogen-Like Lead and Gold Using Microcalorimeters

Quantum electrodynamics in very strong Coulomb fields is one scope which has not yet been tested experimentally with sufficient accuracy to really determine whether the perturbative approach is valid. One sensitive test is the determination of the 1s Lamb shift in highly-charged very heavy ions. The 1s Lamb shift of hydrogen-like lead (Pb81+) and gold (Au78+) has been determined using the novel detector concept of silicon microcalorimeters for the detection of hard x-rays. The results of (260 +/- 53) eV for lead and (211 +/- 42) eV for gold are within the error bars in good agreement with theoretical predictions. To our knowledge, for hydrogen-like lead, this represents the most accurate determination of the 1s Lamb shift.

microcalorimeters for↗
NASA NTRS2021

Agricultural Breadbaskets Shift Poleward Given Adaptive Farmer Behavior Under Climate Change

Modern food production is spatially concentrated in global “breadbaskets”. A major unresolved question is whether these peak production regions will shift poleward as the climate warms, allowing some recovery of potential climaterelated losses. While agricultural impacts studies to date have focused on currently cultivated land, the Global Gridded Crop Model Intercomparison Project (GGCMI) Phase 2 experiment allows us to assess changes in both yields and the location of peak productivity regions under warming. We examine crop responses under projected end-of-century warming using 7 process-based models simulating 5 major crops (maize, rice, soybeans, and spring and winter wheat) with a variety of adaptation strategies. We find that in no-adaptation cases, when planting date and cultivar choices are held fixed, regions of peak production remain stationary and yield losses can be severe, since growing seasons contract strongly with warming. When adaptations in management practices are allowed (cultivars that retain growing season length under warming and modified planting dates), peak productivity zones shift poleward and yield losses are largely recovered. While most growing-zone shifts are ultimately limited by geography, breadbaskets studied here move poleward over 600 km on average by end of the century under RCP8.5. These results suggest that agricultural impacts assessments can be strongly biased if restricted in spatial area or in the scope of adaptive behavior considered. Accurate evaluation of food security under climate change requires global modeling and careful treatment of adaptation strategies.

adaptation↗
NASA NTRS2022

Changes in Optic Nerve Head and Retinal Morphology During Spaceflight and Acute Fluid Shift Reversal

Importance: Countermeasures that reverse the headward fluid shift experienced in weightlessness have the potential to mitigate spaceflight-associated neuro-ocular syndrome. This study investigated whether use of the countermeasure lower-body negative pressure during spaceflight was associated with changes in ocular structure. Objective: To determine whether changes to the optic nerve head and retina during spaceflight can be mitigated by brief in-flight application of 25-mm Hg lower-body negative pressure. Design, Setting, and Participants: In the National Aeronautics and Space Administration’s “Fluid Shifts Study,” a prospective cohort study, optical coherence tomography scans of the optic nerve head and macula were obtained from US and international crew members before flight, in-flight, and up to 180 days after return to Earth. In-flight scans were obtained both under normal weightless conditions and 10 to 20 minutes into lower-body negative pressure exposure. Preflight and postflight data were collected in the seated, supine, and head-down tilt postures. Crew members completed 6- to 12-month missions that took place on the International Space Station. Data were analyzed from 2016 to 2021. Interventions or Exposures: Spaceflight and lower-body negative pressure. Main Outcomes and Measures: Changes in minimum rim width, optic cup volume, Bruch membrane opening height, peripapillary total retinal thickness, and macular thickness. Results: Mean (SD) flight duration for the 14 crew members (mean [SD] age, 45 [6] years; 11 male crew members [79%]) was 214 (72) days. Ocular changes on flight day 150, as compared with preflight seated, included an increase in minimum rim width (33.8 μm; 95% CI, 27.9-39.7 μm; P < .001), decrease in cup volume (0.038 mm^3; 95% CI, 0.030-0.046 mm^3; P < .001), posterior displacement of Bruch membrane opening (−9.0 μm; 95% CI, −15.7 to −2.2 μm; P = .009), and decrease in macular thickness (fovea to 500 μm, 5.1 μm; 95% CI, 3.5-6.8 μm; P < .001). Brief exposure to lower-body negative pressure did not affect these parameters. Conclusions and Relevance: Results of this cohort study suggest that peripapillary tissue thickening, decreased cup volume, and mild central macular thinning were associated with long-duration spaceflight. Acute exposure to 25-mm Hg lower-body negative pressure did not alter optic nerve head or retinal morphology, suggesting that longer durations of a fluid shift reversal may be needed to mitigate spaceflight-induced changes and/or other factors are involved.

Laura P. Pardon↗
NASA NTRS2023

Large Photospheric Doppler Shift in Solar Active Region 12673: I. Field-Aligned Flows

Delta (δ) sunspots sometimes host fast photospheric flows along the central magnetic polarity inversion line (PIL). Here we study the strong Doppler shift signature in the central penumbral light bridge of solar active region NOAA 12673. Observations from the Helioseismic and Magnetic Imager (HMI) indicate highly sheared, strong magnetic fields. Large Doppler shifts up to 3.2 km s −1 appeared during the formation of the light bridge and persisted for about 16 hours. A new velocity estimator, called DAVE4VMwDV, reveals fast converging and shearing motion along the PIL from HMI vector magnetograms, and recovers the observed Doppler signal much better than an old version of the algorithm. The inferred velocity vectors are largely (anti-)parallel to the inclined magnetic fields, suggesting that the observed Doppler shift contains significant contribution from the projected, field-aligned flows. High-resolution observations from the Hinode/Spectro-Polarimeter (SP) further exhibit a clear correlation between the Doppler velocity and the cosine of the magnetic inclination, which is in agreement with HMI results and consistent with a field-aligned flow of about 9.6 km s −1 . The complex Stokes profiles suggest significant gradients of physical variables along the line of sight. We discuss the implications on the δ-spot magnetic structure and the flow-driving mechanism.

Solar active region magnetic fields↗
DOE OSTI2022

Detailed Laboratory Evaluation of Electric Demand Load Shifting Potential of Controlled Heat Pump Water Heaters

The demand profile management of electric end uses is vital research for utilities and policymakers planning greenhouse gas emission reductions. In this study, detailed laboratory research was conducted on the load shifting potential of 4 grid-connected HPWHs and one electric resistance water heaters (ERWH). The testing applied different CTA-2045 shed and critical peak command designs under three water draw profiles. Highly-controlled laboratory experiments were conducted in Florida. One of the four HPWHs was a prototype incorporating the new CTA-2045-B protocol feature allowing ‘advanced’ load-up above tank setpoint. A three-hour morning (6 – 9 AM) and four-hour evening curtailment (4 – 8 PM) were defined as the shed or critical peak periods reflecting high-value control periods for utility coincident load for system-wide electric demand reductions. Tests were performed under baseline conditions (no load shift) and under varied load-shifting schemes, including load up and advanced load up, ahead of shed and critical peak commands. Data were collected from December 2020 – February 2022 in the laboratory and compared with field experiments in Florida and the Pacific Northwest. Grid-connected HPWHs were found to reduce peak demand by up to 0.47 kW compared to uncontrolled HPWH units, depending on time of day, control scheme, draw profile, and temperature cluster. The load up strategy demonstrated the ability of all units to utilize heat pump mode for extended periods ahead of peak events. Demand reductions for the HPWHs were much larger when compared with the ERWH— up to 1.64 kW with large hot water draws in winter.

Fenaughty, Karen↗
DOE OSTI2021

The Influence of Water Vapor on the Electrochemical Shift of an Ionic Liquid Measured by Ambient Pressure X-ray Photoelectron Spectroscopy

Ionic liquids (ILs) are considered to be one of the steppingstones to fabricate next generation electrochemical devices given their unique physical and chemical properties. The addition of water to ILs significantly impact electrochemical related properties including viscosity, density, conductivity, and electrochemical window. Here, we utilize ambient pressure X-ray photoelectron spectroscopy (APXPS) to examine the impact of water on values of the electrochemical shift (S), which is determined by measuring changes in binding energy shifts as a function of an external bias. APXPS spectra of C 1s, O 1s and N 1s regions are examined for the IL 1-butyl-3-methylimidazolium acetate, [C 4 mim][OAc], at the IL/gas interface as a function of both water vapor pressure and external bias. Results reveal that in the absence of water vapor there is an IL ohmic drop between the working electrode and quasi reference electrode, giving rise to chemical specific S values of less than one. Upon introducing water vapor, S values approach one as a function of increasing water vapor pressure, indicating a decrease in the IL ohmic drop as the IL/water mixture becomes more conductive and the potential drop is driven by the electric double layer at the electrode/IL interface.

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

On phosphorus chemical shift anisotropy in metal (IV) phosphates and phosphonates: A 31 P NMR experimental study

The phosphorus chemical shift anisotropies, 31 PΔcs, and asymmetry parameters η were measured by the 31 P{ 1 H} NMR experiments in static and low-frequency spinning samples of the zirconium phosphates and phosphonates and also in the mixed Zr (IV)/Sn (IV) phosphate/phosphonate material. The data obtained have shown a 111 connectivity in the HPO 4 and PO 3 groups, which does not change at modification and intercalation of the materials. The 31 PΔcs values of the phosphonate groups (43–49 ppm) significantly surpass the values characterizing the HPO 4 groups (23–37 ppm). The 31 P Δcs values obtained for the metal (IV) phosphates were discussed in terms of P-O distances. Finally, the 31 P chemical shift anisotropy parameters can help at elucidation of local structures in phosphate and phosphonate materials.

1H MAS NMR↗
DOE OSTI2025

Analysis of the weighted shifted boundary method for the Poisson and Stokes problems

The Shifted Boundary Method (SBM) belongs to the class of unfitted (or immersed, or embedded) finite element methods, and relies on reformulating the original boundary value problem over a surrogate (approximate) computational domain. Accuracy is maintained by properly shifting the location and values of the boundary conditions. This avoids integration over cut cells and the associated implementation issues. Recently, the Weighted SBM (WSBM) was proposed for the Navier-Stokes equations with free surfaces and the Stokes flow with moving boundaries. The attribute “weighted” in the name WSBM stems from the fact that its variational form is weighted with the elemental volume fraction of active fluid. The motivation for the development of the WSBM was the preservation of the volume of active fluid to a higher degree of accuracy, which in turn resulted in improved stability and robustness characteristics in moving-boundary, time-dependent simulations. In this article, we present the numerical analysis of the WSBM formulations for the Poisson and Stokes problems. We give mathematical conditions under which the bilinear forms defining the discrete variational formulations are uniformly coercive (Poisson problem) or inf-sup stable (Stokes problem). By these results, stability and optimal convergence is proven in the natural norm; L2-error estimates can also be derived.

Approximate domain boundaries↗
DOE OSTI2021

A weighted Shifted Boundary Method for free surface flow problems

The Shifted Boundary Method (SBM) belongs to the class of unfitted (or immersed, or embedded) finite element methods and was recently introduced for the Poisson, linear advection/diffusion, Stokes, Navier-Stokes, acoustics, and shallow-water equations. By reformulating the original boundary value problem over a surrogate (approximate) computational domain, the SBM avoids integration over cut cells and the associated problematic issues regarding numerical stability and matrix conditioning. Accuracy is maintained by modifying the original boundary conditions using Taylor expansions. Hence the name of the method, that shifts the location and values of the boundary conditions. In this article, we extend the SBM to the simulation of incompressible Navier-Stokes flows with moving free-surfaces, by appropriately weighting its variational form with the elemental volume fraction of active fluid. This approach prevents spurious pressure oscillations in time, which would otherwise be produced if the total active fluid volume were to change abruptly over a time step. In fact, the proposed weighted SBM method induces small mass (i.e., volume) conservation errors, which converge quadratically in the case of piecewise-linear finite element interpolations, as the grid is refined. Finally, we present an extensive set of two- and three-dimensional tests to demonstrate the robustness and accuracy of the method.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

A weighted shifted boundary method for immersed moving boundary simulations of Stokes' flow

The Shifted Boundary Method (SBM) belongs to the class of unfitted (or immersed, or embedded) finite element methods, and relies on reformulating the original boundary value problem over a surrogate (approximate) computational domain. The surrogate domain is constructed so as to avoid cut cells and the associated problematic implementation and numerical integration issues. Accuracy is maintained by modifying the original boundary conditions using Taylor expansions: hence the name of the method, that shifts the location and values of the boundary conditions. Here, in this article, we extend the SBM to the simulation of incompressible Stokes flow, by appropriately weighting its variational form with the elemental volume fraction of active fluid. This approach allows to drastically reduce spurious pressure oscillations in time, which are produced if the total volume of active fluid were to change abruptly over a time step. The proposed Weighted SBM (W-SBM) exactly preserves states of hydrostatic equilibrium, and induces small mass and momentum conservation errors, which converge as the grid is refined. This is in analogy to cutFEMs and related unfitted approaches, which rely on an affine representation of cut boundaries. We demonstrate the robustness and accuracy of the proposed method with an extensive suite of two-dimensional tests.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Phase-sensitive γ-encoded recoupling of heteronuclear dipolar interactions and 1 H chemical shift anisotropy

γ-encoded recoupling sequences are known to produce strong amplitude modulations that lead to sharp doublets when Fourier transformed. These doublets depend very little on the recoupled tensor asymmetry and thus enable for the straightforward determination of dynamic order parameters. It can, however, be difficult to measure small anisotropies, or small order parameters, using such sequences; the resonances from the doublet may overlap with each other, or with the zero-frequency glitch. This limitation has prevented the widespread use of 1 H chemical shift anisotropy (CSA) for the measurement of dynamics, particularly for CH protons which typically have CSAs of only a few ppm when immobile. In this work, we introduce a simple modification to the traditional 1 H CSA and proton-detected local field pulse sequences that enables the acquisition of a hypercomplex dataset and the removal of the uncorrelated magnetization that results in the zero-frequency glitch. These new sequences then yield a frequency shift in the indirect dimension, rather than a splitting, which is easily identifiable even in cases of weak interactions.

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

Determination of the chemical shift tensor anisotropy and asymmetry of strongly dipolar coupled protons under fast MAS

Orientationally-dependent interactions such as dipolar coupling, quadrupolar coupling, and chemical shift anisotropy (CSA) contain a wealth of spatial information that can be used to elucidate molecular conformations and dynamics. To determine the sign of the chemical shift tensor anisotropy parameter (δ aniso ), both the |m| = 1 and |m| = 2 components of the CSA need to be symmetry allowed, while the recoupling of the |m| = 1 term is accompanied with the reintroduction of homonuclear dipolar coupling components. Therefore, previously suggested sequences which solely recouple the |m| = 2 term cannot determine the sign a 1 H's δ aniso in a densely-coupled network. Here, we demonstrate the CSA recoupling of strongly dipolar coupled 1 H spins using the $Cn^1_n (90_{0}360_{180}540_{0}360_{180}90_{0})$ sequence. This pulse scheme recouples both the |m| = 1 and |m| = 2 CSA terms but the scaling factors for the homonuclear dipolar coupling terms are zeroed. Consequently, the sequence is sensitive to the sign of δ aniso but is not influenced by homonuclear dipolar interactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Stream Temperature Prediction in a Shifting Environment: Explaining the Influence of Deep Learning Architecture

Stream temperature is a fundamental control on ecosystem health. Recent efforts incorporating process guidance into deep learning models for predicting stream temperature have been shown to outperform existing statistical and physical models. This performance is in part because deep learning architectures can actively learn spatiotemporal relationships that govern how water and energy propagate through a river network. However, exploration of how spatiotemporal awareness and process guidance influence a model's generalizability under shifting environmental conditions such as climate change is limited. Here, we use Explainable Artificial Intelligence (XAI) to interrogate how differing deep learning architectures affect a model's learned spatial and temporal dependencies, and how those learned dependencies affect a model's ability to maintain high accuracy when applied to unseen environmental conditions. Using the Delaware River Basin in the northeastern United States as a test case, we compare two spatiotemporally aware process–guided deep learning models for predicting stream temperature (a recurrent graph convolution network—RGCN, and a temporal convolution graph model—Graph WaveNet). Both models achieve equally high predictive performance when testing data are well represented in the training data (test root mean squared errors of 1.64°C and 1.65°C); however, Graph WaveNet significantly outperforms RGCN in 4 out of 5 experiments where test partitions represent different types of unseen environmental conditions. XAI results show that the architecture of Graph WaveNet leads to learned spatial relationships with greater fidelity to physical processes, and that this fidelity improves the generalizability of the model when applied to shifting and/or unseen environmental conditions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Deep transfer operator learning for partial differential equations under conditional shift

Transfer learning enables the transfer of knowledge gained while learning to perform one task (source) to a related but different task (target), hence addressing the expense of data acquisition and labelling, potential computational power limitations and dataset distribution mismatches. Here, we propose a new transfer learning framework for task-specific learning (functional regression in partial differential equations) under conditional shift based on the deep operator network (DeepONet). Task-specific operator learning is accomplished by fine-tuning task-specific layers of the target DeepONet using a hybrid loss function that allows for the matching of individual target samples while also preserving the global properties of the conditional distribution of the target data. Inspired by conditional embedding operator theory, we minimize the statistical distance between labelled target data and the surrogate prediction on unlabelled target data by embedding conditional distributions onto a reproducing kernel Hilbert space. We demonstrate the advantages of our approach for various transfer learning scenarios involving nonlinear partial differential equations under diverse conditions due to shifts in the geometric domain and model dynamics. Our transfer learning framework enables fast and efficient learning of heterogeneous tasks despite considerable differences between the source and target domains.

42 ENGINEERING↗
DOE OSTI2021

57Fe Mössbauer isomer shift of pure iron and iron oxides at high pressure—An experimental and theoretical study

The 57Fe isomer shift (IS) of pure iron has been measured up to 100 GPa using synchrotron Mössbauer spectroscopy in the time domain. Apart from the expected discontinuity due to the α→ε structural and spin transitions, the IS decreases monotonically with increasing pressure. The absolute shifts were reproduced without semi-empirical calibrations by periodic density functional calculations employing extensive localized basis sets with several common density functionals. However, the best numerical agreement is obtained with the B1WC hybrid functional. Extension of the calculations to 350 GPa, a pressure corresponding to the Earth’s inner core, predicted the IS range of 0.00 to -0.85 mm/s, covering the span from Fe(0) to Fe(VI) compounds measured at ambient pressure. The calculations also reproduced the pressure trend from polymorphs of prototypical iron oxide minerals, FeO and Fe2O3. Analysis of the electronic structure shows a strong donation of electrons from oxygen to iron at high pressure. The assignment of formal oxidation to the Fe atom becomes ambiguous under this condition.

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

Regime shifts of the wet and dry seasons in the tropics under global warming

The main seasonal characteristics in the tropics include both spatial patterns and temporal parameters of onset, cessation, duration, and the number of wet and dry seasons. Previous studies showed that wet seasons shortened and dry seasons extended with global warming, but the changes in spatial distribution and the number of wet and dry seasons are still unclear. Here, we analyze the climatic characteristics of once wet and dry season a year (annual regime) and twice wet and dry seasons a year (biannual regime), and find that regimes of wet and dry seasons have changed from 1935 to 2014. Across the equator and the Tropic of Cancer and Capricorn, some regions where there used to be an annual regime have become a biannual regime; instead, other regions have shifted from a biannual regime into an annual regime. With seasonal regimes shifting, areas of the biannual regime have expanded at a rate of 31 000 km 2 /decade. Meanwhile, in annual regime regions, wet seasons have been shortened in 60.3% of regions, with an average of 7 d; the onset dates of wet seasons have been delayed in 64.8%, with an average of 6 d. Besides, wet seasons have become wetter in 51.1% of regions, and dry seasons have become drier in 59.9%. In biannual regime regions, the shortened wet seasons have occurred in 83.7% of regions, with an average shortening of 8 d, and precipitation has decreased in both wet and dry seasons. Moreover, the shorter wet seasons will amplify further by the end of the 21st century. The continuous seasonal changes will threaten agricultural, ecological security, and even human well-being.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Real-Time Gear-Shift Optimization for an Autonomous Wheel Loader

Off-road vehicles, such as wheel loaders, consume a significant amount of fuel during the transportation of materials. The gear-shifting process is crucial in fuel savings for transportation, and therefore, optimization of gearshifts is important for vehicle control. For an autonomous off-road vehicle, there is potential for more fuel savings by proper coordination of gearshift optimization and optimization of other control inputs. This brief proposes a new method for integrating gear-shifting into transportation optimization for an autonomous wheel loader to minimize fuel consumption. Furthermore, tests conducted on short loading cycles show that this method can save around 10%–20% of fuel on average compared with a conventional gearshift-scheduling method.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2020

Climate regime shift and forest loss amplify fire in Amazonian forests

Frequent Amazonian fires over the last decade have raised the alarm about the fate of the Earth's most biodiverse forest. The increased fire frequency has been attributed to altered hydrological cycles. However, observations over the past few decades have demonstrated hydrological changes that may have opposing impacts on fire, including higher basin-wide precipitation and increased drought frequency and severity. Here, we use multiple satellite observations and climate reanalysis datasets to demonstrate compelling evidence of increased fire susceptibility in response to climate regime shifts across Amazonia. In this work, we show that accumulated forest loss since 2000 warmed and dried the lower atmosphere, which reduced moisture recycling and resulted in increased drought extent and severity, and subsequent fire. Extremely dry and wet events accompanied with hot days have been more frequent in Amazonia due to climate shift and forest loss. Simultaneously, intensified water vapor transport from the tropical Pacific and Atlantic increased high-altitude atmospheric humidity and heavy rainfall events, but those events did not alleviate severe and long-lasting droughts. Amazonia fire risk is most significant in the southeastern region where tropical savannas undergo long seasonally dry periods. We also find that fires have been expanding through the wet-dry transition season and northward to savanna-forest transition and tropical seasonal forest regions in response to increased forest loss at the "Arc of Deforestation." Tropical forests, which have adapted to historically moist conditions, are less resilient and easily tip into an alternative state. Our results imply forest conservation and fire protection options to reduce the stress from positive feedback between forest loss, climate change, and fire.

54 ENVIRONMENTAL SCIENCES↗