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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 631 records · Page 35
All sourcesNASA NTRSDOE OSTI
NASA NTRS1999

Dynamics and Structure of Dusty Reacting Flows: Inert Particles in Strained, Laminar, Premixed Flames

A detailed numerical study was conducted on the dynamics and thermal response of inert, spherical particles in strained, laminar, premixed hydrogen/air flames. The modeling included the solution of the steady conservation equations for both the gas and particle phases along and around the stagnation streamline of an opposed-jet configuration, and the use of detailed descriptions of chemical kinetics and molecular transport, For the gas phase, the equations of mass, momentum, energy, and species are considered, while for the particle phase, the model is based on conservation equations of the particle momentum balance in the axial and radial direction, the particle number density, and the particle thermal energy equation. The particle momentum equation includes the forces as induced by drag, thermophoresis, and gravity. The particle thermal energy equation includes the convective/conductive heat exchange between the two phases, as well as radiation emission and absorption by the particle. A one-point continuation method is also included in the code that allows for the description of turning points, typical of ignition and extinction behavior. As expected, results showed that the particle velocity can be substantially different than the gas phase velocity, especially in the presence of large temperature gradients and large strain rates. Large particles were also found to cross the gas stagnation plane, stagnate, and eventually reverse as a result of the opposing gas phase velocity. It was also shown that the particle number density varies substantially throughout the flowfield, as a result of the straining of the flow and the thermal expansion. Finally, for increased values of the particle number density, substantial flame cooling to extinction states and modification of the gas phase fluid mechanics were observed. As also expected, the effect of gravity was shown to be important for low convective velocities and heavy particles. Under such conditions, simulations indicate that the magnitude and direction of the gravitational force can substantially affect the profiles of the particle velocity, number density, mass flux, and temperature.

Egolfopoulos, Fokion N.↗
NASA NTRS1999

Dynamics and Structure of Dusty Reacting Flows: Inert Particles in Strained, Laminar, Premixed Flames

A detailed numerical study was conducted on the dynamics and thermal response of inert spherical particles in strained, laminar, premixed hydrogen/air flames. The modeling included the solution of the steady conservation equations for both the gas and particle phases along and around the stagnation streamline of an opposed-jet configuration, and the use of detailed descriptions of chemical kinetics and molecular transport. For the gas phase, the equations of mass, momentum, energy, and species are considered, while for the particle phase, the model is based on conservation equations of the particle momentum balance in the axial and radial direction, the particle number density, and the particle thermal energy equation. The particle momentum equation includes the forces as induced by drag, thermophoresis, and gravity. The particle thermal energy equation includes the convective/conductive heat exchange between the two phases, as well as radiation emission and absorption by the particle. A one-point continuation method is also included in the code that allows for the description of turning points, typical of ignition and extinction behavior. As expected, results showed that the particle velocity can be substantially different than the gas phase velocity, especially in the presence of large temperature gradients and large strain rates. Large particles were also found to cross the gas stagnation plane, stagnate, and eventually reverse as a result of the opposing gas phase velocity. It was also shown that the particle number density varies substantially throughout the flowfield, as a result of the straining of the flow and the thermal expansion. Finally, for increased values of the particle number density, substantial flame cooling to extinction states and modification of the gas phase fluid mechanics were observed. As also expected, the effect of gravity was shown to be important for low convective velocities and heavy particles. Under such conditions, simulations indicate that the magnitude and direction of the gravitational force can substantially affect the profiles of the particle velocity, number density, mass flux, and temperature.

Egolfopoulos, Fokion N.↗
NASA NTRS2021

On the Cycling of 231 Pa and 230 Th in Benthic Nepheloid Layers

The naturally-occurring radionuclides protactinium-231 ( 231 Pa) and thorium-230 ( 230 Th) are produced at approximately uniform rates in the ocean and thought to be removed from the water column through a reversible exchange with settling particles. Recent measurements along the U.S. GEOTRACES North Atlantic transect (GA03) revealed two features which are at odds with current understanding about 231 Pa and 230 Th cycling in the ocean: (i) a sharp decrease in dissolved 231 Pa ( 231 Pa d ) and 230 Th ( 230 Th d ) activities with depth below 2000-4000 m and (ii) very high particulate 231 Pa ( 231 Pa p ) and 230 Th ( 230 Th p ) activities near the bottom, at a number of stations between the New England continental shelf and Bermuda. Concomitant measurements of light attenuation from beam transmissometry showed that both features occur in benthic nepheloid layers (BNLs), which suggests that these features may stem, at least partly, from the presence of resuspended sediment in the deep water column. Here we explore the behaviour of 231 Pa and 230 Th in BNLs by using (i) radionuclide, optical, and hydrographic data from the western segment of GA03 (west of Bermuda) and (ii) a simplified model of particle and radionuclide cycling that includes a lateral particle source. First, the BNLs observed at GA03 stations are characterized from measurements of the beam attenuation coefficient converted to particle concentrations. At all stations, particle concentrations below the clear water minimum were the highest in the bottom mixed layer, whose thickness ranged from 95 to 320 m, and decreased generally with height above the bottom. The thickness of strong BNLs varied from 482 to 1358 m and the vertical integral of particle concentration in excess to that at the clear water minimum varied from 1 x 10 4 to 2 x 10 6 mg m −2 , among different stations. Second, the particle-radionuclide model is fitted to data from stations GT11-04 (New England continental rise) and GT11-08 (Hatteras abyssal plain), where samples for radionuclide analyses were collected in the BNL. The model can reproduce simultaneously the increase of particle concentration with depth, the low 231 Pa d and 230 Th d in the BNLs, and the high 231 Pa p and 230 Th p near the bottom. According to the model, at heights less than about 300 m above the seafloor, the dissolved phase was set primarily by a balance between adsorption and desorption, with vertical turbulent mixing playing a secondary role, whilst the particulate phase behaved largely as a non-reactive constituent supplied laterally and transported vertically by particle settling and turbulent mixing. Sensitivity tests with the model suggest that lateral particle sources near continental slopes and similar reliefs can produce significant biases both in the 230 Th normalization method and in the interpretation of sediment 231 Pa/ 230 Th records. Our findings yield insights into the influence of sediment resuspension and transport on 231 Pa and 230 Th in the deep ocean and highlight the need for considering these processes in paleoceanographic applications.

Nepheloid layer↗
DOE OSTI2023

High-Performance Layered Ni-Rich Cathode Materials Enabled by Stress-Resistant Nanosheets

Here, layered O3-type transition metal oxides are promising cathode candidates for high-energy-density Li-ion batteries. However, the structural instability at the highly delithiated state and low kinetics at the fully lithiated state are arduous challenges to overcome. Here, a facile approach is developed to make secondary particles of Ni-rich materials with nanosheet primary grains. Because the alignment of the primary grains reduces internal stress buildup within the particle during charge-discharge and provides straightforward paths for Li transport, the as-synthesized Ni-rich materials do not undergo cracking upon cycling with higher overall Li + ion diffusion rates. Specifically, a LiNi 0.75 Co 0.14 Mn 0.11 O 2 cathode with nanosheet grains delivers a high reversible capacity of 206 mAh g -1 and shows ultrahigh cycling stability, e.g., 98% capacity retention over 500 cycles in a full cell with a graphite anode.

25 ENERGY STORAGE↗
DOE OSTI2023

A spall and diffraction study of nanosecond pressure release across the iron ε-α phase boundary

The extreme response of polycrystalline iron at high pressures and high strain rates is revealed by means of high-power laser pulses. The compression portion of the pulse coupled with x-ray diffraction identifies the expected body-centered cubic (α) to hexagonal close packed (ε) displacive transformation. Upon release, observation shows that the complete reverse transformation takes approximately 8 ns and that the structure returns to its initial microstructural configuration, in a reversible transformation path. This is in good agreement with molecular dynamics (MD) simulations which predict an inverse dependence between transformation time and strain rate. The grain size is reduced from μm to nm range during compression and begins increasing back to the original grain size on decompression. The kinetics of the transition is dictated by heterogenous nucleation as it follows the Johnson-Mehl-Avrami-Kolmogorov equation with the appropriate time exponent of ~1. This is confirmed by MD simulations which also identify profuse twinning and dislocation generation. Here, the tensile pulse generated upon reflection at the free surface is captured by time-resolved free surface velocity measurements from which a peak tensile stress of 7 GPa is obtained, in stark contrast with its quasi-static value of ~200 MPa. At these strain rates, the strength of grain interiors, which is determined by twinning and slip exceeds the strength of the boundaries, and failure initiates preferentially in the latter.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Catalytic reforming of methane with H 2 S via dynamically stabilized sulfur on transition metal oxides and sulfides

Reforming of methane with H 2 S is a promising path to directly utilize sour natural gas reserves, although some aspects of the mechanism and structure–function relations remain elusive. In this report we show that metal oxides of group 4–6 elements, which are inert for steam and dry methane reforming reactions, are active and stable (pre)catalysts for the H 2 S reforming of methane. The key active sites are sulfur species (S*) that are dynamically bound to metal cations during catalysis. Similar H/D isotope exchange patterns and universal rate inhibition by H 2 on representative catalysts indicate that H 2 S decomposition and recombination of surface hydrogen atoms are quasi-equilibrated, whereas CH 4 dissociation steps are reversible, yet not quasi-equilibrated. An in-depth analysis of the kinetic data and isotopic substitution effects identifies S*-mediated C–H bond cleavage as the most plausible rate-limiting step common for all catalysts, with subtle yet essential differences between 3d and 4d/5d catalysts in the thermodynamic stability of S*.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Paradoxical roles of hydrogen in electrochemical performance of graphene: High rate capacity and atomistic origins

Atomic hydrogen exists ubiquitously in graphene materials made by chemical methods. Yet determining the effect of hydrogen on the electrochemical performance of graphene remains a significant challenge. Here we report the experimental observations of high rate capacity in hydrogen-treated 3-dimensional (3D) graphene nanofoam electrodes for lithium ion batteries. Structural and electronic characterization suggests that defect sites and hydrogen play synergistic roles in disrupting sp 2 graphene to facilitate fast lithium transport and reversible surface binding, as evidenced by the fast charge-transfer kinetics and increased capacitive contribution in hydrogen-treated 3D graphene. In concert with experiments, multiscale calculations reveal that defect complexes in graphene are prerequisite for low-temperature hydrogenation, and that the hydrogenation of defective or functionalized sites at strained domain boundaries plays a beneficial role in improving rate capacity by opening gaps to facilitate easier Li penetration. Additional reversible capacity is provided by enhanced lithium binding near hydrogen-terminated edge sites. Furthermore, these findings provide qualitative insights in helping the design of graphene-based materials for high-power electrodes.

25 ENERGY STORAGE↗
DOE OSTI2016

Cold pulse and rotation reversals with turbulence spreading and residual stress

Transport modeling based on inclusion of turbulence spreading and residual stresses shows internal rotation reversals and polarity reversal of cold pulses, with a clear indication of nonlocal transport effects due to fast spreading in the turbulence intensity field. The effects of turbulence spreading and residual stress are calculated from the gradient of the turbulence intensity. In the model presented in this paper, the flux is carried by the turbulence intensity field, which in itself is subject to radial transport effects. The pulse polarity inversion and the rotation profile reversal positions are close to the radial location of the stable/unstable transition. Both effects have no direct explanation within the framework of classical transport modeling, where the fluxes are related directly to the linear growth rates, the turbulence intensity profile is not considered and the corresponding residual stress is absent. Our simulations are in qualitative agreement with measurements from ohmically heated plasmas. Rotation reversal at a finite radius is found in situations not displaying saturated confinement, which we identify as situations where the plasma is nearly everywhere unstable. As an additional and new effect, the model predicts a perturbation of the velocity profile following a cold pulse from the edge. This allows direct experimental confirmation of both the existence of residual stress caused by turbulence intensity profiles and fundamental ideas of transport modeling presented here.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1972

Hydrogen environment embrittlement

Hydrogen embrittlement is classified into three types: internal reversible hydrogen embrittlement, hydrogen reaction embrittlement, and hydrogen environment embrittlement. Characteristics of and materials embrittled by these types of hydrogen embrittlement are discussed. Hydrogen environment embrittlement is reviewed in detail. Factors involved in standardizing test methods for detecting the occurrence of and evaluating the severity of hydrogen environment embrittlement are considered. The effect of test technique, hydrogen pressure, purity, strain rate, stress concentration factor, and test temperature are discussed. Additional research is required to determine whether hydrogen environment embrittlement and internal reversible hydrogen embrittlement are similar or distinct types of embrittlement.

Gray, H. R.↗
DOE OSTI2018

Patterns of longer-term climate change effects on CO 2 efflux from biocrusted soils differ from those observed in the short term

Biological soil crusts (biocrusts) are predicted to be sensitive to the increased temperature and altered precipitation associated with climate change. We assessed the effects of these factors on soil carbon dioxide (CO 2 ) balance in biocrusted soils using a sequence of manipulations over a 9-year period. We warmed biocrusted soils by 2 and, later, by 4 °C to better capture updated forecasts of future temperature at a site on the Colorado Plateau, USA. We also watered soils to alter monsoon-season precipitation amount and frequency and had plots that received both warming and altered precipitation treatments. Within treatment plots, we used 20 automated flux chambers to monitor net soil exchange (NSE) of CO 2 hourly, first in 2006–2007 and then again in 2013–2014, for a total of 39 months. Net CO 2 efflux from biocrusted soils in the warming treatment increased a year after the experiment began (2006–2007). However, after 9 years and even greater warming (4 °C), results were more mixed, with a reversal of the increase in 2013 (i.e., controls showed higher net CO 2 efflux than treatment plots) and with similarly high rates in all treatments during 2014, a wet year. Over the longer term, we saw evidence of reduced photosynthetic capacity of the biocrusts in response to both the temperature and altered precipitation treatments. Patterns in biocrusted soil CO 2 exchange under experimentally altered climate suggest that (1) warming stimulation of CO 2 efflux was diminished later in the experiment, even in the face of greater warming; and (2) treatment effects on CO 2 flux patterns were likely driven by changes in biocrust species composition and by changes in root respiration due to vascular plant responses.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Boosting electrochemical reaction and suppressing phase transition with a high-entropy O3-type layered oxide for sodium-ion batteries

Complex phase transitions induced by interlayer slides in layered cathode materials lead to poor cycling stability and rate capability for sodium-ion batteries. Herein, we design and prepare a new six-component high-entropy oxide (HEO) layered cathode O3–Na(Fe 0.2 Co 0.2 Ni 0.2 Ti 0.2 Sn 0.1 Li 0.1 )O 2 to enable highly reversible electrochemical reaction and phase-transition behavior. The HEO cathode exhibits good cycling performance (capacity retention of ~81% after 100 cycles at 0.5C) and outstanding rate capability (capacity of ~81 mA h g –1 at 2.0C) due to the higher sodium diffusion coefficient (above 5.75 × 10 –11 cm 2 s –1 ) than most reported O3-type cathodes. Moreover, the high-entropy cathode has superior compatibility with the hard carbon anode and delivers a specific capacity of 90.4 mA h g –1 (energy density of ~267.5 W h kg –1 ). Ex situ X-ray diffraction proves that the high-entropy designing effectively suppresses the intermediate phase change to achieve reversible O3–P3 phase evolution, and in turn stabilizes the layered structure. X-ray absorption spectroscopy and Mössbauer spectrum of 57 Fe suggest that Ni 2+ /Ni 3.5+ , Co 3+ /Co 3.5+ , and part of Fe 3+ /Fe 3.5+ redox reaction contribute the charge compensation. Finally, the enhanced performance can be attributed to the disordered distribution of multi-component transition metals in HEO suppressing the ordering of electric charges and sodium vacancies, thereby inhibiting the interlayer slide and phase transition.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2008

Contemporary Trends in the Acid-Base Status of the Two Acid-Sensitive Streams in Western Maryland

Recovery of streamwater acid neutralizing capacity (ANC) resulting from declines in regional acid deposition was examined using contemporary (1990-2005) data from two long-term monitoring stations located on the Appalachian Plateau in western Maryland, U.S. Two computational methods were used to estimate daily, monthly, and annual fluxes and discharge-weighted concentrations of ANC, sulfate, nitrate, and base cations over the period of record, and two statistical methods were used to evaluate long-term trends in fluxes and concentrations. The methods used to estimate concentrations, as well as the, statistical techniques, produced very similar results, underlining the robustness of the identified trends. We found clear evidence that streamwater sulfate concentrations have declined at an average rate of about 3 (microns)eq L(exp -1) yr(exp -1) at the two sites due to a 34% reduction in wet atmospheric sulfur deposition. Trends in nitrate concentrations appear to be related to other watershed factors, especially forest disturbance. The best evidence of recovery is based on a doubling of ANC (from 21 to 42 (microns)eq L(exp -1) at the more acid-sensitive site over the 16-year period. A slowing, or possible reversal, in the sulfate, nitrate, and SBC trends is evident in our data and may portend a decline in the rate of--or end to--further recovery.

Eshleman, Keith N.↗
DOE OSTI2024

Acid–base concentration swing for direct air capture of carbon dioxide

This work demonstrates the first experimental evidence of the acid–base concentration swing (ABCS) for direct air capture of CO 2 . This process is based on the effect that concentrating particular acid–base chemical reactants will strongly acidify solution, through Le Chatelier's principle, and result in outgassing absorbed CO 2 . After collecting the outgassed CO 2 , diluting the solution will result in a reversal of the acid–base reaction, basifying the solution and allowing for atmospheric CO 2 absorption. The experimental study examines a system that includes sodium cation as the alkalinity carrier, boric acid, and a polyol complexing agent that reversibly reacts with boric acid to strongly acidify solution upon concentration. Though the tested experimental system faces absorption rate and water capacity limitations, the ABCS process described here provides a basis for further process optimization. A generalized theoretical ABCS reaction framework is developed and different reaction orders and conditions are studied mathematically. Higher order reactions yield favorable cycle output results, reaching volumetric cycle capacity above 50 mM for third-order and 80 mM for fourth-order reactions. Optimal equilibrium constants are determined in order to guide alternative chemical searches and synthetic chemistry design targets. There is a substantial energetic benefit for reaction orders above the first, with second- and third-order ABCS cycles exhibiting a thermodynamic minimum work for the concentrating and outgassing steps around 150 kJ per mole of CO 2 . A significant advantage of the ABCS is that it can be driven through well-developed and widely-deployed desalination technologies, such as reverse osmosis, with opportunities for energy recovery when recombining the concentrated and diluted streams, and extraction can occur directly from the liquid phase upon vacuum application.

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

Investigation of a moving-model technique for measuring ground effect

A ground-based testing technique is under development for the measurement of dynamic or time-dependent ground effects which may be present during aircraft approach and landing. The technique utilizes a model moving horizontally over an upwardly-inclined ground plane to simulate rate of descent. Results were obtained in the Langley Research Center (LaRC) Vortex Research Facility (VRF) for a generic 60 delta wing and for an F-18 configuration, both with and without thrust reversing, at forward speeds up to 100 ft/sec. These same models and support hardware were also tested in the LaRC 14 by 22 Foot Subsonic Tunnel at identical conditions (but without rate of descent) with and without a moving-belt ground plane to obtain data for comparison.

Kemmerly, Guy T.↗
DOE OSTI2014

The afterglow of GRB 130427A from 1 to 10{sup 16} GHz

We present multiwavelength observations of the afterglow of GRB 130427A, the brightest (in total fluence) gamma-ray burst (GRB) of the past 29 yr. Optical spectroscopy from Gemini-North reveals the redshift of the GRB to be z = 0.340, indicating that its unprecedented brightness is primarily the result of its relatively close proximity to Earth; the intrinsic luminosities of both the GRB and its afterglow are not extreme in comparison to other bright GRBs. We present a large suite of multiwavelength observations spanning from 300 s to 130 days after the burst and demonstrate that the afterglow shows relatively simple, smooth evolution at all frequencies, with no significant late-time flaring or rebrightening activity. The entire data set from 1 GHz to 10 GeV can be modeled as synchrotron emission from a combination of reverse and forward shocks in good agreement with the standard afterglow model, providing strong support to the applicability of the underlying theory and clarifying the nature of the GeV emission observed to last for minutes to hours following other very bright GRBs. A tenuous, wind-stratified circumburst density profile is required by the observations, suggesting a massive-star progenitor with a low mass-loss rate, perhaps due to low metallicity. GRBs similar in nature to GRB 130427A, inhabiting low-density media and exhibiting strong reverse shocks, are probably not uncommon but may have been difficult to recognize in the past owing to their relatively faint late-time radio emission; more such events should be found in abundance by the new generation of sensitive radio and millimeter instruments.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Solvothermal-Derived S-Doped Graphene as an Anode Material for Sodium-Ion Batteries

Sodium–ion batteries (SIBs) have attracted enormous attention in recent years due to the high abundance and low cost of sodium. However, in contrast to lithium–ion batteries, conventional graphite is unsuitable for SIB anodes because it is much more difficult to intercolate the larger Na ions into graphite layers. Therefore, it is critical to develop new anode materials for SIBs for practical use. Here, heteroatom–doped graphene with high doping levels and disordered structures is prepared using a simple and economical thermal process. The solvothermal–derived graphene shows excellent performance as an anode material for SIBs. It exhibits a high reversible capacity of 380 mAh g –1 after 300 cycles at 100 mA g –1 , excellent rate performance 217 mAh g –1 at 3200 mA g –1 , and superior cycling performance at 2.0 A g –1 during 1000 cycles with negligible capacity fade.

25 ENERGY STORAGE↗
DOE OSTI2018

A Universal Organic Cathode for Ultrafast Lithium and Multivalent Metal Batteries

Abstract Low‐cost multivalent battery chemistries (Mg 2+ , Al 3+ ) have been extensively investigated for large‐scale energy storage applications. However, their commercialization is plagued by the poor power density and cycle life of cathodes. A universal polyimides@CNT (PI@CNT) cathode is now presented that can reversibly store various cations with different valences (Li + , Mg 2+ , Al 3+ ) at an extremely fast rate. The ion‐coordination charge storage mechanism of PI@CNT is systemically investigated. Full cells using PI@CNT cathodes and corresponding metal anodes exhibit long cycle life (>10000 cycles), fast kinetics (>20 C), and wide operating temperature range (−40 to 50 °C), making the low‐cost industrial polyimides universal cathodes for different multivalent metal batteries. The stable ion‐coordinated mechanism opens a new foundation for the development of high‐energy and high‐power multivalent batteries.

Fan, Xiulin↗
DOE OSTI2015

Enhanced Photoreversible Color Switching of Redox Dyes Catalyzed by Barium-Doped TiO 2 Nanocrystals

We developed colloidal barium-doped TiO 2 nanocrystals that enable the highly reversible light-responsive color switching of redox dyes with excellent cycling performance and high switching rates. Oxygen vacancies resulting from the Ba doping serve as effective sacrificial electron donors (SEDs) to scavenge the holes photogenerated in TiO 2 nanocrystals under UV irradiation and subsequently promote the reduction of methylene blue to its colorless leuco form. Effective color switching can therefore be realized without relying on external SEDs, thus greatly increasing the number of switching cycles. Moreover, Ba doping can also accelerate the recoloration under visible-light irradiation by shifting the absorption edge of TiO 2 nanocrystals to a shorter wavelength. Such a system can be further casted into a solid film to produce a rewritable paper on which letters and patters can be repeatedly printed using UV light and then erased by heating; this process can be repeated for many cycles and does not require additional inks.

36 MATERIALS SCIENCE↗