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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 1,423 records · Page 79
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Modulating the Electronic Transport of 2D Sb2Te3 Nanoplates by Coinage Metal Intercalation

Thermoelectric materials are particularly relevant to the current energy infrastructure and demands of the 21st century, converting waste heat into usable electricity. The solution intercalation of zerovalent copper into Sb2Te3 nanoplates, a well-established thermoelectric material, is reported. The copper intercalant is homogeneously distributed throughout the nanoplates, confirmed by scanning transmission electron microscopy coupled with energy-dispersive X-ray spectroscopy. The copper composition was shown to be 6 at. % by X-ray photoelectron spectroscopy. Copper ordering within the van der Waals gaps of the nanoplates is confirmed by selected area electron diffraction. Fabrication and thermoelectric property measurements of single-crystal Sb2Te3 and Cu-Sb2Te3 nanoplate devices show effective modulation of electrical conductivity and Seebeck coefficient with Cu intercalation. X-ray photoelectron spectroscopic studies in the valence-band region reveal additional electronic states from copper that appear near the Fermi energy, postulated to act as electron acceptors, leading to modulation of the electronic transport properties.

2D nanoplates↗
DOE OSTI2017

Plasma-Functionalized Polytetrafluoroethylene Nanoparticles for Improved Wear in Lubricated Contact

Plasma-functionalized polytetrafluoroethylene (PTFE) nanoparticles were employed to evaluate their utility in improving the lubrication property of a group III mineral oil with a significantly low amount of zinc dialkyl dithiophosphate (ZDDP). The particles were coated with two consecutive films; the initial coating contained silica to enhance amorphous glassy tribofilm formation, followed by a methacrylate film to protect the silica coating and enhance dispersibility in the oil. The functionalized nanoparticles were evaluated for their tribological performance using a high-frequency reciprocating rig, in a cylinder-on-flat configuration. The oil formulations containing ZDDP (350 ppm phosphorus level) and the functionalized nanoparticles resulted in dramatic reductions in the friction coefficient and overall wear compared to the samples containing nonfunctionalized PTFE nanoparticles, ZDDP (350 ppm P), and samples devoid of nanoparticles but containing ZDDP with a 700 ppm P treat rate. XPS and XANES spectroscopy were employed to characterize the tribological films formed on the test samples. The samples with functionalized particles and ZDDP clearly exhibited tribofilms with Si- and F-doped polyphosphates of Zn coupled with the presence of ZnS at the metal-tribofilm interface. On the other hand, oils without the functionalized nanoparticles have oxides of Fe and to a lesser extent short-chain phosphates of Zn. The overall results suggest that the synergism between plasma-coated PTFE nanoparticles and ZDDP contributed to the development of protective tribofilms even at reduced amount of phosphorus in the oil. This new method of employing nanoparticles to deliver novel antifriction and antiwear chemistries at the tribological interfaces stands out as a promising approach to further reduce P levels in oils without compromising friction and wear performance.

plasma functionalization↗
DOE OSTI2018

Universal scaling-law for flow resistance over canopies with complex morphology

Flow resistance caused by vegetation is a key parameter to properly assess flood management and river restoration. However, quantifying the friction factor or any of its alternative metrics, e.g. the drag coefficient, in canopies with complex geometry has proven elusive. We explore the effect of canopy morphology on vegetated channels flow structure and resistance by treating the canopy as a porous medium characterized by an effective permeability, a property that describes the ease with which water can flow through the canopy layer. We employ a two-domain model for flow over and within the canopy, which couples the log-law in the free layer to the Darcy-Brinkman equation in the vegetated layer. We validate the model analytical solutions for the average velocity profile within and above the canopy, the volumetric discharge and the friction factor against data collected across a wide range of canopy morphologies encountered in riverine systems. Results indicate agreement between model predictions and data for both simple and complex plant morphologies. For low submergence canopies, we find a universal scaling law that relates friction factor with canopy permeability and a rescaled bulk Reynolds number. This provides a valuable tool to assess habitats sustainability associated with hydro-dynamical conditions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Robust estimation of charge carrier diffusivity using transient photoluminescence microscopy

Transient microscopy has emerged as a powerful tool for imaging the diffusion of excitons and free charge carriers in optoelectronic materials. In many excitonic materials, extraction of diffusion coefficients can be simplified because of the linear relationship between signal intensity and local excited state population. However, in materials where transport is dominated by free charge carriers, extracting diffusivities accurately from multidimensional data is complicated by the nonlinear dependence of the measured signal on the local charge carrier density. To obtain accurate estimates of charge carrier diffusivity from transient microscopy data, statistically robust fitting algorithms coupled to efficient 3D numerical solvers that faithfully relate local carrier dynamics to raw experimental measurables are sometimes needed. Here, we provide a detailed numerical framework for modeling the spatiotemporal dynamics of free charge carriers in bulk semiconductors with significant solving speed reduction and for simulating the corresponding transient photoluminescence microscopy data. To demonstrate the utility of this approach, we apply a fitting algorithm using a Markov chain Monte Carlo sampler to experimental data on bulk CdS and methylammonium lead bromide (MAPbBr 3 ) crystals. Parameter analyses reveal that transient photoluminescence microscopy can be used to obtain robust estimates of charge carrier diffusivities in optoelectronic materials of interest, but that other experimental approaches should be used for obtaining carrier recombination constants. Additionally, simplifications can be made to the fitting model depending on the experimental conditions and material systems studied. Our open-source simulation code and fitting algorithm are made freely available to the scientific community.

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

Preparing angular momentum eigenstates using engineered quantum walks

Coupled angular-momentum eigenstates are widely used in atomic and nuclear physics calculations and are building blocks for spin networks and the Schur transform. To combine two angular momenta J 1 and J 2 , forming eigenstates of their total angular momentum J=J 1 +J 2 , we develop a quantum-walk scheme that does not require inputting O(j 3 ) nonzero Clebsch–Gordan (CG) coefficients classically. In fact, our scheme may be regarded as a unitary method for computing CG coefficients on quantum computers with a typical complexity of O⁡(j) and a worst-case complexity of O⁡(j 3 ). Equivalently, our scheme provides decompositions of the dense CG unitary into sparser unitary operations. Our scheme prepares angular-momentum eigenstates using a sequence of Hamiltonians to move an initial state deterministically to desired final states, which are usually highly entangled states in the computational basis. In contrast with usual quantum walks, whose Hamiltonians are prescribed, we engineer the Hamiltonians in su⁡(2)×su⁡(2), which are inspired by, but different from, Hamiltonians that govern magnetic resonances and dipole interactions. To achieve a deterministic preparation of both ket and bra states, we use projection and destructive interference to double pinch the quantum walks, such that each step is a unit-probability population transfer within a two-level system. We test our state preparation scheme on classical computers, reproducing tables of CG coefficients. Finally, we also implement small test problems on current quantum hardware.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1982

Evidence for solar wind control of Saturn radio emission

Using data collected by the Voyager 1 and 2 spacecraft in 1980 and 1981, strong evidence is presented for a direct correlation between variations in the solar wind at Saturn and the level of activity of Saturn's nonthermal radio emission. Correlation coefficients of 57 to 58% are reached at lag times of 0 to 1 days between the arrival at Saturn of high pressure solar wind streams and the onset of increased radio emission. The radio emission exhibits a long-term periodicity of 25 days, identical to the periodicity seen in the solar wind at this time and consistent with the solar rotation period. The energy coupling efficiency between the solar wind with the Saturn radio emission is estimated and compared with that for Earth.

Desch, M. D.↗
NASA NTRS2017

Simulating PACE Global Ocean Radiances

The NASA PACE mission is a hyper-spectral radiometer planned for launch in the next decade. It is intended to provide new information on ocean biogeochemical constituents by parsing the details of high resolution spectral absorption and scattering. It is the first of its kind for global applications and as such, poses challenges for design and operation. To support pre-launch mission development and assess on-orbit capabilities, the NASA Global Modeling and Assimilation Office has developed a dynamic simulation of global water-leaving radiances, using an ocean model containing multiple ocean phytoplankton groups, particulate detritus, particulate inorganic carbon (PIC), and chromophoric dissolved organic carbon (CDOC) along with optical absorption and scattering processes at 1 nm spectral resolution. The purpose here is to assess the skill of the dynamic model and derived global radiances. Global bias, uncertainty, and correlation are derived using available modern satellite radiances at moderate spectral resolution. Total chlorophyll, PIC, and the absorption coefficient of CDOC (aCDOC), are simultaneously assimilated to improve the fidelity of the optical constituent fields. A 5-year simulation showed statistically significant (P < 0.05) comparisons of chlorophyll (r = 0.869), PIC (r = 0.868), and a CDOC (r =0.890) with satellite data. Additionally, diatoms (r = 0.890), cyanobacteria (r = 0.732), and coccolithophores (r = 0.716) were significantly correlated with in situ data. Global assimilated distributions of optical constituents were coupled with a radiative transfer model (Ocean-Atmosphere Spectral Irradiance Model, OASIM) to estimate normalized water-leaving radiances at 1 nm for the spectral range 250-800 nm. These unassimilated radiances were within 0.074 mW/sq cm/micron/sr of MODIS-Aqua radiances at 412, 443, 488, 531, 547, and 667 nm. This difference represented a bias of 10.4% (model low). A mean correlation of 0.706 (P < 0.05) was found with global distributions of MODIS radiances. These results suggest skill in the global assimilated model and resulting radiances. The reported error characterization suggests that the global dynamical simulation can support some aspects of mission design and analysis. For example, the high spectral resolution of the simulation supports investigations of band selection. The global nature of the radiance representations supports investigations of satellite observing scenarios. Global radiances at bands not available in current and past missions support investigations of mission capability. PACE, ocean color, water-leaving radiances, biogeochemical model, radiative transfer model

PIC↗
NASA NTRSDate not supplied

Flutter Analysis of the Transonic Truss-Braced Wing Aircraft Using Transonic Correction

This paper describes a flutter analysis method for the Transonic Truss-Braced Wing aircraft using a vortex lattice method coupled to an unsteady transonic correction method to account for unsteady aerodynamics in transonic flow. A steady-state vortex-lattice model of the Truss-Braced Wing aircraft is developed using vortex lattice code VSPAERO. A transonic and viscous flow correction method is implemented in the VSPAERO model to account for steady-state transonic and viscous flow effects using transonic small disturbance code TSFOIL coupled to an in-house integral boundary layer code. In addition, a wing-strut interference correction method is developed to account for the transonic interference aerodynamics in the strut juncture region using high-fidelity CFD code FUN3D. A structural dynamic finite-element model of the Truss-Braced Wing aircraft is developed using BEAM3D in-house finite-element code and is coupled to the VSPAERO. The BEAM3D model includes a geometric nonlinearity due to the tension in the strut which causes a deflection-dependent nonlinear stiffness. An unsteady transonic correction method is developed to better capture the unsteady aerodynamics in transonic flow. The unsteady transonic correction method makes use of the Theodorsen’s theory to account for the amplitude and phase shift of the unsteady lift coefficient in transonic flow. A preliminary flutter analysis of the Truss-Braced Wing aircraft is conduct to illustrate the unsteady transonic correction approach.

Nhan Nguyen↗
NASA NTRS2014

Real-Time Global Flood Estimation Using Satellite-Based Precipitation and a Coupled Land Surface and Routing Model

A widely used land surface model, the Variable Infiltration Capacity (VIC) model, is coupled with a newly developed hierarchical dominant river tracing-based runoff-routing model to form the Dominant river tracing-Routing Integrated with VIC Environment (DRIVE) model, which serves as the new core of the real-time Global Flood Monitoring System (GFMS). The GFMS uses real-time satellite-based precipitation to derive flood monitoring parameters for the latitude band 50 deg. N - 50 deg. S at relatively high spatial (approximately 12 km) and temporal (3 hourly) resolution. Examples of model results for recent flood events are computed using the real-time GFMS (http://flood.umd.edu). To evaluate the accuracy of the new GFMS, the DRIVE model is run retrospectively for 15 years using both research-quality and real-time satellite precipitation products. Evaluation results are slightly better for the research-quality input and significantly better for longer duration events (3 day events versus 1 day events). Basins with fewer dams tend to provide lower false alarm ratios. For events longer than three days in areas with few dams, the probability of detection is approximately 0.9 and the false alarm ratio is approximately 0.6. In general, these statistical results are better than those of the previous system. Streamflow was evaluated at 1121 river gauges across the quasi-global domain. Validation using real-time precipitation across the tropics (30 deg. S - 30 deg. N) gives positive daily Nash-Sutcliffe Coefficients for 107 out of 375 (28%) stations with a mean of 0.19 and 51% of the same gauges at monthly scale with a mean of 0.33. There were poorer results in higher latitudes, probably due to larger errors in the satellite precipitation input.

global flood estimation↗
DOE OSTI2020

Ionic Liquid–Directed Nanoporous TiNb 2 O 7 Anodes with Superior Performance for Fast–Rechargeable Lithium–Ion Batteries

Nanoporous TiNb 2 O 7 (NPTNO) material is synthesized by a sol–gel method with an ionic liquid (IL) as the nanoporous structure directing template. NPTNO exhibits a high reversible capacity of 210 mAh g –1 even at the charging rate of 50 C and an excellent cyclability of half-cell capacity retention of 74% for 1000 cycles at 5 C and LiNi 0.5 Mn 1.5 O 4 -coupled full-cell capacity retentions of 81% and 87% for 1000 cycles at 1 C and 2 C, respectively. The studies of the 1000 cycled NPTNO electrode illustrate that the IL-directed mesoporous structure can enhance the cyclability of NPTNO cells due to the alleviation of repetitive mechanical stress and volume fluctuation induced by the repetitive Li + insertion-extraction processes. The measured Li + diffusion coefficients from the galvanostatic intermittent titration technique suggest that the IL-templating strategy indeed ensures the fast rechargeability of NPTNO cells based on the fast Li + diffusion kinetics. Benefitting from the nanoporous structure, NPTNO with unhindered Li + diffusion pathways achieves a superior rate capability in the titanium-based oxide materials and the best full-cell cyclability in the TNO materials. Furthermore, the templating potential of IL is demonstrated, and the superb electrochemical performance establishes the IL-directed NPTNO as a promising anode candidate for fast-rechargeable LIBs.

25 ENERGY STORAGE↗
DOE OSTI2025

Splitting regions and shrinking islands from higher point constraints

We study constraints from higher-point amplitudes on 2 → 2 scattering in the context of effective field theory (EFT) using the perturbative numerical S-matrix bootstrap. Specifically, we investigate the class of weakly coupled EFTs with amplitudes that obey the hidden zero and split conditions that are known to hold both for Tr(Φ 3 ) theory and for certain string tree amplitudes, including at 4-point the beta function. Requiring the splitting condition for the 5-point amplitude not only fixes nearly all its contact terms, but it also imposes non-linear constraints among the 4-point EFT Wilson coefficients. When included in the bootstrap, the resulting allowed region consistent with positivity is no longer convex but is restricted to a smaller non-convex region — which has a sharp corner near the string beta function! Assuming the absence of an infinite spin tower at the mass gap, the allowed region bifurcates into a trivial region (with states only above a chosen cutoff) and an island that continues to shrink around the string as more constraints are included in the bootstrap. The numerics indicate that in the absence of single-mass infinite spin towers the string beta function is the unique 4-point amplitude compatible with hidden zero and the 5-point splitting constraints. The analysis provides a prototype example for how features of higher-point amplitudes constrain the bootstrap of 4-point amplitudes.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

The Oceanic Barrier Layer in the Eastern Indian Ocean as a Predictor for Rainfall Over Indonesia and Australia

Barrier layers in the tropics trap heat in a shallow and stable near-surface layer and limit entrainment of cooler water from below. Both processes act to increase sea surface temperature and enhance atmospheric convection. The high resolution fully coupled pre-industrial Energy Exascale Earth System Model version 0 (E3SMv0) is used to investigate the relationship between barrier layers in the eastern Indian Ocean during the wet season with local atmospheric convection and remote rainfall. A partial least squares regression reveals a significant relationship between Australasian rainfall and the barrier layer thickness (BLT) west of Sumatra, occurring one month earlier. Furthermore, the largest positive regression coefficients are over northern Australia. The region west of Sumatra is strategically located where the East-Asian monsoon moisture flows toward northern Australia. Thickening of the west Sumatra BLT intensifies evaporation and local convection and amplifies the moisture transported to Australia acting to increase the terrestrial rainfall.

58 GEOSCIENCES↗
DOE OSTI2022

Development and Evaluation of E3SM‐MOSAIC: Spatial Distributions and Radiative Effects of Nitrate Aerosol

Abstract Nitrate aerosol plays an important role in affecting regional air quality as well as Earth's climate. However, it is not well represented or even neglected in many global climate models. In this study, we couple the Model for Simulating Aerosol Interactions and Chemistry (MOSAIC) module with the four‐mode version of the Modal Aerosol Module (MAM4) in DOE's Energy Exascale Earth System Model version 2 (E3SMv2) to simulate nitrate aerosol and its radiative effects. We find that nitrate aerosol simulated by E3SMv2‐MAM4‐MOSAIC is sensitive to the treatment of gaseous HNO 3 transfer to/from interstitial particles related to accommodation coefficients of HNO 3 ( ) on dust and non‐dust particles. We compare three different treatments of HNO 3 transfer: (a) a treatment (MTC_SLOW) that uses a low in the mass transfer coefficient (MTC) calculation; (b) a dust‐weighted MTC treatment (MTC_WGT) that uses a high on non‐dust particles; and (c) a dust‐weighted MTC treatment that also splits coarse mode aerosols into the coarse dust and sea salt sub‐modes in MOSAIC (MTC_SPLC). MTC_WGT and MTC_SPLC increase the global annual mean (2005–2014) nitrate burden from 0.096 (MTC_SLOW) to 0.237 and 0.185 Tg N, respectively, mostly in the coarse mode. MTC_WGT and MTC_SPLC also produce stronger nitrate direct radiative forcing (−0.048 and −0.051 W m −2 , respectively) and indirect forcing (−0.33 and −0.35 W m −2 , respectively) than MTC_SLOW (−0.021 and −0.24 W m −2 ). MTC_WGT and MTC_SPLC improve nitrate surface concentrations over remote oceans based on limited observations and vertical profiles of nitrate concentrations against aircraft measurements below 400 hPa.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

A tungsten external heater for BX90 diamond anvil cells with a range up to 1700 K

Resistive heating of a sample in a diamond anvil cell (DAC) can generate a homogeneous temperature field across the sample chamber with reliable temperatures measured by a thermocouple. It is of importance in experiments aiming at exploring phase diagrams and quantifying thermoelastic properties of materials. Here, we present a ring-heater design developed for BX90 diamond anvil cells (DACs). Furthermore, it is made of a ring-shaped aluminum oxide holder hosting a tungsten wire coil inside and coupled with Ar + 2% H 2 gas to prevent oxidation during experiment. This modular plug-and-play design enables in situ studies of samples via x-ray diffraction up to a temperature of 1700 K. Temperature in the BX90 sample volume as measured through a thermocouple was calibrated using the melting point of gold. As an application of this design, we report the thermal expansion coefficient of MgO at 9.5(1) GPa.

47 OTHER INSTRUMENTATION↗
DOE OSTI2019

On the contribution of nocturnal heterogeneous reactive nitrogen chemistry to particulate matter formation during wintertime pollution events in Northern Utah

Mountain basins in Northern Utah, including the Salt Lake Valley (SLV), suffer from wintertime air pollution events associated with stagnant atmospheric conditions. During these events, fine particulate matter concentrations (PM 2.5 ) can exceed national ambient air quality standards. Previous studies in the SLV have found that PM 2.5 is primarily composed of ammonium nitrate (NH 4 NO 3 ), formed from the condensation of gas-phase ammonia (NH 3 ) and nitric acid (HNO 3 ).Additional studies in several western basins, including the SLV, have suggested that production of HNO 3 from nocturnal heterogeneous N 2 O 5 uptake is the dominant source of NH 4 NO 3 during winter. The rate of this process, however, remains poorly quantified, in part due to limited vertical measurements above the surface, where this chemistry is most active. The 2017 Utah Winter Fine Particulate Study(UWFPS) provided the first aircraft measurements of detailed chemical composition during wintertime pollution events in the SLV. Coupled with ground-based observations, analyses of day- and nighttime research flights confirm that PM 2.5 during wintertime pollution events is principally composed of NH 4 NO 3 , limited by HNO 3 . Here, observations and box model analyses assess the contribution of N 2 O 5 uptake to nitrate aerosol during pollution events using the $\mathrm{NO^{-}_{3}}$ production rate, N 2 O 5 heterogeneous uptake coefficient ( γ (N 2 O 5 )), and production yield of ClNO 2 ( φ (ClNO 2 )), which had medians of 1.6 µg m -3 h -1 , 0.076,and 0.220, respectively. While fit values of γ (N 2 O 5 ) maybe biased high by a potential under-measurement in aerosol surface area,other fit quantities are unaffected. Lastly, additional model simulations suggest nocturnal N 2 O 5 uptake produces between 2.4 and 3.9 µg m -3 of nitrate per day when considering the possible effects of dilution. This nocturnal production is sufficient to account for 52 %–85 %of the daily observed surface-level buildup of aerosol nitrate, though accurate quantification is dependent on modeled dilution, mixing processes,and photochemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1975

A nonlinear theory of cosmic ray pitch angle diffusion in homogeneous magnetostatic turbulence

A plasma strong turbulence, weak coupling, theory is applied to the problem of cosmic ray pitch angle scattering in magnetostatic turbulence. The theory used is a rigorous generalization of Weinstock's resonance-broadening theory and contains no ad hoc approximations. A detailed calculation is presented for a model of slab turbulence with an exponential correlation function. The results agree well with numerical simulations. The rigidity dependence of the pitch angle scattering coefficient differs from that found by previous researchers. The differences result from an inadequate treatment of particle trajectories near 90 deg pitch angle in earlier work.

Goldstein, M. L.↗
NASA NTRS1976

Radiative Vaporization of Graphite in the Temperature Range of 4000 to 4500 deg K

The vaporization of graphite under intense laser radiation is considered both theoretically and experimentally. Under intense radiation, the mass-loss rate can be high enough to cause the flow in the laser plume to be supersonic. Under these conditions, the vaporization process is coupled to the plume gasdynamics. Experimental results are presented for surface temperatures of 3985 to 4555 K and mass-loss rates from 0.52 to 27.0 g/sq cm sec. The data are used to determine the vapor pressure of graphite in a range of 2 to 11 atm, and the results are shown to be in good agreement with the JANAF vapor pressure curve, if the vaporization coefficients are unity. The assumption of unity vaporization coefficients is shown to be reasonable by a comparison of the present results with other recent vapor pressure results for graphite.

Lundell, John H.↗
NASA NTRS1994

Global Dipole Moment Function for the X1 Sigma+ Ground State of CO

We have studied the dipole moment function (DMF) for the X(sup 1)Sigma(sup +) state of CO as a function of the completeness of the one- and n-particle treatments. Our best DMF is obtained using an augmented correlation-consistent quadruple-zeta basis set with external correlation included using the averaged-coupled-pair functional (ACPF) approach from a complete-active-space self-consistent-field zeroth-order reference. The DMF evaluated using the finite-field approach is in far better agreement with the experimentally deduced DMF than all previous theoretical determinations, but systematic differences still remain in the DMF at larger internuclear distances that give rise to significant discrepancies between the theoretical and experimental Einstein coefficients for transitions involving vibrational quantum numbers above about Upsilon=15.

Langhoff, Stephen R.↗