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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
NASA NTRS2012

Advancing Data Assimilation in Operational Hydrologic Forecasting: Progresses, Challenges, and Emerging Opportunities

Data assimilation (DA) holds considerable potential for improving hydrologic predictions as demonstrated in numerous research studies. However, advances in hydrologic DA research have not been adequately or timely implemented in operational forecast systems to improve the skill of forecasts for better informed real-world decision making. This is due in part to a lack of mechanisms to properly quantify the uncertainty in observations and forecast models in real-time forecasting situations and to conduct the merging of data and models in a way that is adequately efficient and transparent to operational forecasters. The need for effective DA of useful hydrologic data into the forecast process has become increasingly recognized in recent years. This motivated a hydrologic DA workshop in Delft, the Netherlands in November 2010, which focused on advancing DA in operational hydrologic forecasting and water resources management. As an outcome of the workshop, this paper reviews, in relevant detail, the current status of DA applications in both hydrologic research and operational practices, and discusses the existing or potential hurdles and challenges in transitioning hydrologic DA research into cost-effective operational forecasting tools, as well as the potential pathways and newly emerging opportunities for overcoming these challenges. Several related aspects are discussed, including (1) theoretical or mathematical aspects in DA algorithms, (2) the estimation of different types of uncertainty, (3) new observations and their objective use in hydrologic DA, (4) the use of DA for real-time control of water resources systems, and (5) the development of community-based, generic DA tools for hydrologic applications. It is recommended that cost-effective transition of hydrologic DA from research to operations should be helped by developing community-based, generic modeling and DA tools or frameworks, and through fostering collaborative efforts among hydrologic modellers, DA developers, and operational forecasters.

forecasting↗
DOE OSTI2023

Solid-State Transformation of Uranyl Peroxide Materials through High-Level Irradiation

The solid-state transformation of sodium uranyl triperoxide (Na 4 (UO 2 )(O 2 ) 3 ·9H 2 O, NaUT) to sodium uranyl tricarbonate (Na 4 (UO 2 )(CO 3 ) 3 ) by radiolysis was observed for the first time. The exposure of NaUT to 3 MGy gamma irradiation resulted in partial breakdown of the peroxides forming a mixed peroxide and carbonate species. The effects of He-ion irradiation on NaUT were also investigated up to 225 MGy using both hydrated argon and dry argon. The complete conversion to the uranyl tricarbonate phase by 56 MGy was done using hydrated argon, while dry argon did not fully convert showing the importance of water in the system. He-ion irradiated NaUT samples all convert to the tricarbonate phase with time in air post radiation exposure. This transition was monitored via Raman spectroscopy, infrared spectroscopy (IR), and powder X-ray diffraction (PXRD) to further confirm the identity of the final product as the sodium uranyl tricarbonate, čejkaite. Furthermore, this transformation outlines a mechanism for the mobility of uranyl in natural environments and in the Hanford tanks.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2023

Solid-state transformation of uranyl peroxide materials through high-level irradiation

The solid-state transformation of sodium uranyl triperoxide (Na 4 (UO 2 )(O 2 ) 3 ∙9H 2 O, NaUT) to sodium uranyl tricarbonate (Na 4 (UO 2 )(CO 3 ) 3 ) by radiolysis has been observed for the first time. The exposure of NaUT to 3 MGy gamma irradiation resulted in partial breakdown of the peroxides forming a mixed peroxide and carbonate species. The effects of He ion irradiation on NaUT was also investigated up to 225 MGy using both hydrated argon and dry argon. The complete conversion to the uranyl tricarbonate phase by 56 MGy using hydrated argon, while dry argon did not fully convert showing the importance of water in the system. He-ion irradiated NaUT samples all convert to the tricarbonate phase with time in air post radiation exposure. This transition was monitored via Raman spectroscopy, infrared spectroscopy (IR), and powder X-ray diffraction (PXRD) to further confirm the identity of the final product as the sodium uranyl tricarbonate, čejkaite. This transformation outlines a mechanism for the mobility of uranyl in natural environments and in the Hanford tanks.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
NASA NTRS2012

Comparison of Trajectory Models in Calculations of N2-broadened Half-widths and N2-induced Line Shifts for the Rotational Band of H2O-16 and Comparison with Measurements

In this work, Complex Robert-Bonamy calculations of half-widths and line shifts were done for N2-broadening of water for 1639 transitions in the rotational band using two models for the trajectories. The first is a model correct to second order in time, the Robert-Bonamy parabolic approximation. The second is the solution of Hamilton's equations. Both models use the isotropic part of the atom-atom potential to determine the trajectories. The present calculations used an intermolecular potential expanded to 20th order to assure the convergence of the half-widths and line shifts. The aim of the study is to assess if the difference in the half-widths and line shifts determined from the two trajectory models is greater than the accuracy requirements of the spectroscopic and remote sensing communities. The results of the calculations are compared with measurements of the half-widths and line shifts. It is shown that the effects of the trajectory model greatly exceed the needs of current remote sensing measurements and that line shape parameters calculated using trajectories determined by solving Hamilton's equations agree better with measurement.

Lamouroux, J.↗
NASA NTRS2008

The Herschel Oxygen Project: Herschel Space Observatory Open Time Key Project

Topics include: Why oxygen and why at submillimeter wavelengths; gas phase chemistry for water, oxygen, and carbon monoxide is relatively simple; molecular oxygen structure; lower rotational levels and transitions of oxygen; oxygen abundance in interstellar clouds; SWAS spectra of terrestrial oxygen; what Herschel offers HOP; key regions for probing oxygen in the dense interstellar medium; HOP sources and strategy; and HOP data and analysis.

astrochemistry↗
NASA NTRS1992

Underground muons from the direction of Cygnus X-3

The flux of underground muons from the direction of the binary Cygnus X-3 was measured by the Soudan 2 proton decay detector. This time-projection calorimeter is located at a depth of 2200 m (water equivalent) in northern Minnesota at latitude 48 deg N, longitude 92 deg W. An analysis was then performed that compared both the total observed flux and the observed flux per transit with the number of events expected in the absence of a source. This expected number of events was determined by combining the detector acceptance as a function of time with detector acceptance as a function of the local spatial coordinates. These functions were evaluated by use of off-source events. The direction of Cygnus X-3 was defined as a 2 deg half-angle cone, centered on the nominal source coordinates. This definition is consistent with the expected appearance of a point source in the Soudan 2 detector after consideration of track reconstruction errors, multiple scattering in the rock, and possible systematic effects. Details of the analysis and the results are presented.

Marshak, M. L.↗
DOE OSTI2022

Impacts of climate and disturbance on nutrient fluxes and stoichiometry in mixed-conifer forests

Elucidating climatic impacts on stream nutrient export and stoichiometry will improve the understanding of forest carbon (C) storage in a warmer world. We constructed C, nitrogen (N), and phosphorus (P) budgets in four watersheds within a rain-snow transition site and another four within a higher-elevation, snow-dominated site, in California’s mixed-conifer zone. We used these two sites in a space-for-time substitution to assess the potential effects of warming on nutrient cycles in currently snow-dominated areas that will become more rain-dominated. During a non-drought period (water year (WY) 2004 – 2011), mean annual stream exports of C and N in particulate forms at the transition site were double that at the snow-dominated site, suggesting that sediment-associated nutrient losses may increase with warming. The transition site had 12% lower N but double the P content in mineral horizons, lower N:P mass ratios in organic horizons, and lower stream export of dissolved inorganic N than the snow-dominated site. Furthermore, these differences suggest that montane forests may receive lower supply of N relative to P with warming. In addition, given strong interests in forest thinning to increase drought resiliency, we examined changes in stream nutrient export after thinning and during a major drought period (WY 2013 – 2015). Stream exports of C, N, and P were similar between unthinned and thinned watersheds during drought, suggesting negligible thinning impacts on stream nutrient export during excessively dry periods. Taken together, our results suggest that as the climate warms, California’s montane forests may lose more nutrients through erosion and receive less N input than P.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Modulating Charge Transfer Efficiency of Hematite Photoanode with Hybrid Dual‐Metal–Organic Frameworks for Boosting Photoelectrochemical Water Oxidation

Abstract The glorious charge transfer efficiency of photoanode is an important factor for efficient photoelectrochemical (PEC) water oxidation. However, it is often limited by slow kinetics of oxygen evolution reaction. Herein, a dual transition metal‐based metal–organic frameworks (MOF) cocatalyst, Fe@Ni–MOF, is introduced into a titanium‐doped hematite (Fe 2 O 3 :Ti) photoanode. The combination of Ni and Fe can optimize the filling of 3d orbitals. Moreover, the introduction of Fe donates electrons to Ni in the MOF structure, thus, suppressing the irreversible (long‐life‐time) oxidation of Ni 2+ into Ni 3+ . The resulting Fe@Ni–MOF/Fe 2 O 3 :Ti photoanode exhibits ∼threefold enhancement in the photocurrent density at 1.23 V versus the reversible hydrogen electrode. Kinetic analysis of the PEC water oxidation processes indicates that this performance improvement is primarily due to modulating the charge transfer efficiency of hematite photoanode. Further results show that a single transition metal‐based MOF cocatalyst, Ni–MOF, exhibits slow charge transfer in spite of a reduction in surface charge recombination, resulting in a smaller charge transfer efficiency. These findings provide new insights for the development of photoelectrodes decorated with MOFs.

36 MATERIALS SCIENCE↗
NASA NTRS1993

A 69 cent look at thermoplastic softening

The objectives are to demonstrate the change in mechanical properties of a thermoplastic polymer when the polymer is heated above the glass transition temperature. The instructor or student can perform this demonstration. In preparation for the demonstration, fill the flask or beaker 3/4 full with water and bring the water to a boil. First observe the initial stiffness of the toothbrush by slightly flexing it. Note that it is fairly stiff and retains its initial shape when the forces are removed. If you were to apply enough force, the toothbrush would break in a somewhat brittle fashion. Now place the toothbrush in the boiling water for 2 minutes. After the 2 minutes are up, remove the toothbrush from the boiling water with the washcloth. At this time, you will be able to bend the toothbrush easily. When it cools it will retain this bent shape. You've just demonstrated heating the polymer above the glass transition temperature, demonstrating thermoplastic softening. Instructor notes are provided.

Vanasupa, Linda S.↗
DOE OSTI2024

Real-Time Atomic-Scale Structural Analysis Resolves the Amorphous to Crystalline CaCO 3 Mechanism Controversy

Amorphous calcium carbonate (ACC) occurs as a precursor to geological and biogenic calcium carbonate (CaCO 3 ), yet its transformation pathways and reaction mechanisms remain inconsistent and controversial. In this study, we investigated the transformation of ACC to calcite under both solution and dry conditions, in the presence and absence of impurity ions, utilizing operando time-resolved synchrotron X-ray diffraction (TRXRD) and reactive transport modeling. Results demonstrate that TRXRD techniques allow us to differentiate dissolution-reprecipitation versus solid-state transformation mechanisms for amorphous to crystalline phase transitions. Specifically, we observe that in environments with abundant water, ACC transforms to calcite through a dissolution-reprecipitation mechanism. This features an activation energy of 63 ± 2 kJ/mol and unit cell volume contraction during calcite crystal growth. Conversely, under water-limited conditions, ACC to calcite transformation proceeds via a solid-state transformation mechanism, with an activation energy of 210 ± 2 kJ/mol, three times greater than the dissolution-reprecipitation route, and a unit cell expansion during crystalline calcite growth. Further, to illustrate the magnitude of these effects, the rates of calcite growth were similar during dissolution-reprecipitation at 3 °C [0.00207(35) s –1 ] and solid-state transformation at 280 °C [0.00134(11) s –1 ]. Moreover, the incorporation of an impurity, strontium, significantly retards the rate of calcite growth while expanding its unit cell but whose incorporation is history dependent. Reactive transport modeling of the dissolution–precipitation kinetics suggests that ACC must be dissolving as compact aggregates. These various transformation mechanisms drive diverse geological and biological carbonate formations, impacting their use as paleoenvironmental markers and functional materials synthesis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Structure Function Studies of Photosystem II Using X-Ray Free Electron Lasers

The structure and mechanism of the water-oxidation chemistry that occurs in photosystem II have been subjects of great interest. The advent of X-ray free electron lasers allowed the determination of structures of the stable intermediate states and of steps in the transitions between these intermediate states, bringing a new perspective to this field. The room-temperature structures collected as the photosynthetic water oxidation reaction proceeds in real time have provided important novel insights into the structural changes and the mechanism of the water oxidation reaction. The time-resolved measurements have also given us a view of how this reaction—which involves multielectron, multiproton processes—is facilitated by the interaction of the ligands and the protein residues in the oxygen-evolving complex. These structures have also provided a picture of the dynamics occurring in the channels within photosystem II that are involved in the transport of the substrate water to the catalytic center and protons to the bulk.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2013

Northern North Atlantic Sea Surface Height and Ocean Heat Content Variability

The evolution of nearly 20 years of altimetric sea surface height (SSH) is investigated to understand its association with decadal to multidecadal variability of the North Atlantic heat content. Altimetric SSH is dominated by an increase of about 14 cm in the Labrador and Irminger seas from 1993 to 2011, while the opposite has occurred over the Gulf Stream region over the same time period. During the altimeter period the observed 0-700 m ocean heat content (OHC) in the subpolar gyre mirrors the increased SSH by its dominantly positive trend. Over a longer period, 1955-2011, fluctuations in the subpolar OHC reflect Atlantic multidecadal variability (AMV) and can be attributed to advection driven by the wind stress ''gyre mode'' bringing more subtropical waters into the subpolar gyre. The extended subpolar warming evident in SSH and OHC during the altimeter period represents transition of the AMV from cold to warm phase. In addition to the dominant trend, the first empirical orthogonal function SSH time series shows an abrupt change 2009-2010 reaching a new minimum in 2010. The change coincides with the change in the meridional overturning circulation at 26.5N as observed by the RAPID (Rapid Climate Change) project, and with extreme behavior of the wind stress gyre mode and of atmospheric blocking. While the general relationship between northern warming and Atlantic meridional overturning circulation (AMOC) volume transport remains undetermined, the meridional heat and salt transport carried by AMOC's arteries are rich with decade-to-century timescale variability.

Sea-surface↗
DOE OSTI2025

Towards the development of resonantly enhanced laser-based diagnostics for molten salt reactor safeguards

The adoption of Generation IV molten salt reactors (MSRs) depends on the ability to implement compatible monitoring instrumentation to ensure adherence to nuclear safeguards. This task is nontrivial due to the high temperature, reactive, and chemically complex fuel and coolant components contained within these systems. Optical spectroscopy techniques such as laser-induced fluorescence (LIF) and laser-induced breakdown spectroscopy (LIBS) are candidates for monitoring instrumentation. They offer many advantages for continuous monitoring, including the ability to operate at a standoff and compatibility with liquid-phase analytes. We discuss the use of LIF for the detection of Nd, a common fission fragment, within a liquid matrix. Results show that for NdCl3 dissolved in water, the Nd I 492.45 nm resonant transition is detectable without the need to induce a plasma and that the fluorescence emission can be separated in the time domain from the laser scatter signal. Additionally, we present a setup and preliminary results for measurements of solid Nd and U using resonant LIBS. The results demonstrate element-selective measurement capabilities and provide the foundational data necessary to continue the development of laser-based MSR diagnostics. This work also helps address gaps in the literature regarding energy level assignments of Nd.

98 - NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL↗
NASA NTRS2022

The Hubble PanCET Program: A Featureless Transmission Spectrum for WASP-29b and Evidence of Enhanced Atmospheric Metallicity on WASP-80b

We present a uniform analysis of transit observations from the Hubble Space Telescope and Spitzer Space Telescope of two warm gas giants orbiting K-type stars—WASP-29b and WASP-80b. The transmission spectra, which span 0.4–5.0μm, are interpreted using a suite of chemical equilibrium PLATON atmospheric retrievals. Both planets show evidence of significant aerosol opacity along the day–night terminator. The spectrum of WASP-29b is flat throughout the visible and near-infrared, suggesting the presence of condensate clouds extending to low pressures. The lack of spectral features hinders our ability to constrain the atmospheric metallicity and C/O ratio. In contrast, WASP-80b shows a discernible, albeit muted H2O absorption feature at 1.4μm, as well as a steep optical spectral slope that is caused by fine-particle aerosols and/or contamination from unocculted spots on the variable host star. WASP-80b joins the small number of gas-giant exoplanets that show evidence for enhanced atmospheric metallicity: the transmission spectrum is consistent with metallicities ranging from∼30–100 times solar in the case of cloudy limbs to a few hundred times solar in the cloud-free scenario. In addition to the detection of water, we infer the presence of CO2in the atmosphere of WASP-80b based on the enhanced transit depth in the Spitzer 4.5μm bandpass. From a complementary analysis of Spitzer secondary eclipses, we find that the day side emission from WASP-29b and WASP-80b is consistent with brightness temperatures of 937±48 and 851±14 K, respectively, indicating relatively weak day–night heat transport and low Bond albedo.

Ian Yu Wong↗
DOE OSTI2023

Characterization of local parameters of inclined upward air–water bubbly two-phase flows in a round pipe

The present work seeks to develop a detailed experimental database and characterize the local effects of inclination on horizontal and upward bubbly air–water two-phase flows. Experimental conditions are selected to investigate bubbly flows at a variety of orientations while reducing the influence of flow regime transition. Detailed time-averaged data is collected using state-of-the-art four-sensor conductivity probes for measurements across the flow area for five flow conditions at five inclination orientations in a 25.4 mm inner diameter pipe. Using the newly established database, effects of inclination on bubbly flows are analyzed, as are changes in liquid and gas flow rate at different orientations. The observations include (1) bubble migration and agglomeration at the top pipe wall as orientation changes from vertical to horizontal; (2) reducing the angle from vertical reduces the local gas velocity, and correspondingly reduces the global slip from greater than unity at 90° to less than unity for 60° and lower; (3) changes in the bubble size distribution are primarily at the interface between the bubble cluster and the liquid region of the pipe, not coalescence within the bubble cluster. In conclusion, physical mechanisms for these observations are proposed, and the present trends at different orientations support previous experiments in horizontal two-phase flows.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Coherent Acoustic Interferometry during the Photodriven Oxygen Evolution Reaction Associates Strain Fields with the Reactive Oxygen Intermediate (Ti–OH*)

The oxygen evolution reaction (OER) from water requires the formation of metastable, reactive oxygen intermediates to enable oxygen–oxygen bond formation. Conversely, such reactive intermediates could also structurally modify the catalyst. Here, a descriptor for the overall catalytic activity, the first electron and proton transfer OER intermediate from water, (M–OH*), has been associated with significant distortions of the metal–oxygen bonds upon charge-trapping. Time-resolved spectroscopy of in situ, photodriven OER on transition metal oxide surfaces has characterized M–OH* for the charge trapping and the symmetry of the lattice distortions by optical and vibrational transitions, respectively, but had yet to detect an interfacial strain field arising from a surface coverage M–OH*. Here, we utilize picosecond, coherent acoustic interferometry to detect the uniaxial strain normal to the SrTiO 3 /aqueous interface directly caused by Ti–OH*. The spectral analysis applies a fairly general methodology for detecting a combination of the spatial extent, magnitude, and generation time of the interfacial strain through the coherent oscillations’ phase. For lightly n-doped SrTiO 3 , we identify the strain generation time (1.31 ps), which occurs simultaneously with Ti–OH* formation, and a tensile strain of 0.06% (upper limit 0.6%). In addition to fully characterizing this intermediate across visible, mid-infrared, and now GHz-THz probes on SrTiO 3 , we show that strain fields occur with the creation of some M–OH*, which modifies design strategies for tuning catalytic activity and provides insight into photo-induced degradation so prevalent for OER. To that end, the work put forth here provides a unique methodology to characterize intermediate-induced interfacial strain across OER catalysts.

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

Reversible electrowetting transitions on superhydrophobic surfaces

An electric field applied across the interface has been shown to enable transitions from the Cassie to the Wenzel state on superhydrophobic surfaces with miniature corrugations. Molecular dynamics (MD) simulations manifest the possibility of reversible cycling between the two states when narrow surface wells support spontaneous expulsion of water in the absence of the field. With approximately 1 nm sized wells between the surface asperities, the response times to changes in the electric field are of O(0.1) ns, allowing up to GHz frequency of the cycle. Because of the orientation preferences of interfacial water in contact with the solid, the phenomenon depends on the polarity of the field normal to the interface. The threshold field strength for the Cassie-to-Wenzel transition is significantly lower for the field pointing from the aqueous phase to the surface; however, once in the Wenzel state, the opposite field direction secures tighter filling of the wells. Considerable hysteresis revealed by the delayed water retraction at decreasing field strength indicates the presence of moderate kinetic barriers to expulsion. Known to scale approximately with the square of the length scale of the corrugations, these barriers preclude the use of increased corrugation sizes while the reduction of the well diameter necessitates stronger electric fields. Field-controlled Cassie-to-Wenzel transitions are therefore optimized by using superhydrophobic surfaces with nanosized corrugations. Abrupt changes indicate a high degree of cooperativity reflecting the correlations between the wetting states of interconnected wells on the textured surface.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1989

The influence of ice accretion physics on the forecasting of aircraft icing conditions

The physics which control aircraft ice accretion are reviewed in the context of identifying and forecasting hazardous icing conditions. The severity of aircraft icing is found to be extremely sensitive to temperature, liquid water content and droplet size distribution particularly near the transition between rime and mixed icing. The difficulty in measurement and the variability of these factors with altitude, position and time coupled with variable aircraft sensitivity make forecasting and identifying icing conditions difficult. Automated Pilot Reports (PIREPS) are suggested as one mechanism for improving the data base necessary to forecast icing conditions.

Hansman, R. John, Jr.↗