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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 1,369 records · Page 76
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Surface segregation and oxidation of Pt 3 Ni(1 1 1) alloys under oxygen environment

Utilizing ambient pressure X-ray photoelectron spectroscopy (AP-XPS), the surface segregation and oxidation of Pt 3 Ni(1 1 1) alloys are investigated as a function of temperature and oxygen pressure. The in situ AP-XPS measurements of oxygen oxidation process show that the Pt “skin” surface is not stable under the exposure of oxygen pressure of 100 mTorr at room temperature. As the temperature and pressure are elevated, the formations of Ni 2 O 3 , NiO x , and NiO are observed on surface while Pt atom starts to reduce its adsorbed oxygen, which is a clear sign of surface segregation of Ni to surface. Upon the evacuation of oxygen gas, i.e. ultrahigh vacuum condition, both of NiO x and NiO oxide get reduced and Ni 2 O 3 remains on the surface. Finally, the DFT calculation is employed to explain the formation of surface oxides under oxidation condition.

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

Support Effect and Surface Reconstruction in In 2 O 3 / m- ZrO 2 Catalyzed CO 2 Hydrogenation

Here, we investigate the chemical and structural dynamics at the interface of In 2 O 3 /m-ZrO 2 and their consequences on the CO 2 hydrogenation reaction (CO 2 HR) under reaction conditions. While acting to enrich CO 2 , monoclinic zirconia (m-ZrO 2 ) was also found to serve as a chemical and structural modifier of In 2 O 3 that directly governs the outcome of the CO 2 HR. These modifying effects include the following: (1) Under reaction conditions (above 623 K), partially reduced In 2 O 3 , i.e., InO x (0 < x < 1.5), was found to migrate in and out of the subsurface of m-ZrO 2 in a semireversible manner, where m-ZrO 2 accommodates and stabilizes InO x by serving as a reservoir. The decreased concentration of surface InO x under elevated temperatures coincides with significantly decreased selectivity toward methanol and a sharp increase of the reverse water–gas shift reaction. The reconstruction-induced variation of InO x concentration appears to be one of the most important factors contributing to the altered catalytic performance of CO 2 HR at different reaction conditions. (2) The strong interactions and reactions between m-ZrO 2 and In 2 O 3 result in the activation of a pool of In–O bonds at the In 2 O 3 /m-ZrO 2 interface to form oxygen vacancies. On the other hand, the high dispersity of In 2 O 3 nanostructures onto m-ZrO 2 prevents their over-reduction under catalytically relevant conditions (up to 673 K), when bare In 2 O 3 is unavoidably reduced into the metallic phase (In 0 ). The relationship between the extent of reduction of In 2 O 3 and catalytic performance (CO 2 conversion, CH 3 OH selectivity, or yield of CH 3 OH) suggests the presence of an optimum coverage of surface InO x and oxygen vacancies under reaction conditions. The conventional model that links catalytic performance solely to the coverage of oxygen vacancies appears invalid in the present case. In situ analysis also allows the observation of surface reaction intermediates and their interconversions, including the reduction of CO 3 * into formate, a precursor for the formation of methanol and CO. The combinative ex situ and in situ study sheds light on the reaction mechanism of the CO 2 HR on In 2 O 3 /m-ZrO 2 -based catalysts. Our findings on the large-scale surface reconstructions, support effect, and the reaction mechanism of In 2 O 3 /m-ZrO 2 for CO 2 HR may apply to other related metal oxide catalyzed CO 2 reduction reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2006

Io: Loki Patera as a Magma Sea

We develop a physical model for Loki Patera as a magma sea. We calculate the total volume of magma moving through the Loki Patera volcanic system every resurfacing cycle (approx.540 days) and the resulting variation in thermal emission. The rate of magma solidification at times reaches 3 x 10(exp 6) kg per second, with a total solidified volume averaging 100 cu km per year. A simulation of gas physical chemistry evolution yields the crust porosity profile and the timescale when it will become dense enough to founder in a manner consistent with observations. The Loki Patera surface temperature distribution shows that different areas are at different life cycle stages. On a regional scale, however, there can be coordinated activity, indicated by the wave of thermal change which progresses from Loki Patera's SW quadrant toward the NE at a rate of approx.1 km per day. Using the observed surface temperature distribution, we test several mechanisms for resurfacing Loki Patera, finding that resurfacing with lava flows is not realistic. Only the crustal foundering process is consistent with observations. These tests also discovered that sinking crust has a 'heat deficit' which promotes the solidification of additional magma onto the sinking plate ("bulking up"). In the limiting case, the mass of sinking material can increase to a mass of approx.3 times that of the foundering plate. With all this solid matter sinking, there is a compensating upward motion in the liquid magma. This can be in excess of 2 m per year. In this manner, solid-liquid convection is occurring in the sea.

heat flow↗
NASA NTRS1973

Observations of water vapor ions at the lunar surface.

The Apollo 14 Suprathermal Ion Detector Experiment observed a series of bursts of 48.6 eV water vapor ions at the lunar surface during a 14-hr period on Mar. 7, 1971. The maximum flux observed was 100 million ions per sq cm per sec per sr. These ions were also observed at Apollo 12, 183 km to the west. Evaluation of specific artificial sources including the Apollo missions and the Russian Lunokhod leads to the conclusion that the water vapor did not come from a man-made source. Natural sources exogenous to the moon such as comets and the solar wind are also found to be inadequate to explain the observed fluxes. Consequently, these water vapor ions appear to be of lunar origin.-

Freeman, J. W., Jr.↗
DOE OSTI2022

Evaluation and Optimization of Snow Albedo Scheme in Noah-MP Land Surface Model Using In Situ Spectral Observations in the Colorado Rockies

The Biosphere-Atmosphere Transfer Scheme (BATS) ground snow albedo algorithm is commonly used in land-surface models (LSM), weather forecasting and research applications. This study addresses key uncertainties in BATS simulated ground snow albedo within the Noah-MP LSM framework through evaluation and optimization of the Noah-MP BATS ground snow albedo formulation using 2-band (visible and near-infrared (NIR)) in situ albedo observations at Rocky Mountain field stations. The Noah-MP BATS ground snow albedo scheme is extremely sensitive to its input parameters. Namely, an ensemble generated by varying BATS input parameters within potentially plausible ranges provides an average daily range (maximum ensemble member minus minimum ensemble member) of ground snow albedo exceeding 0.45 in visible and NIR bands. Parameter optimization improves agreement between simulated and in situ observed ground snow albedo in visible, NIR and broadband spectrums. Importantly, optimized parameters result in reduced biases relative to observed fresh-snow albedo and better agreement with observed albedo decay. Our analysis across different sites supports that the optimized BATS ground snow albedo parameters are appropriate to transfer in space and time, at least within the region studied (the central-southern Rocky Mountains). The primary error source remaining after parameter optimization is that observed fresh-snow albedo is highly variable, particularly in the NIR spectrum, whereas BATS fresh-snow albedo is constant, an issue which requires further investigation. This study shows significant correlations between observed fresh-snow albedo and surface meteorological conditions (e.g., downward shortwave radiation and temperature) which can support future model development that attempts to include a time-varying formulation for fresh-snow albedo.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2015

Phase-field modeling of diffusional phase behaviors of solid surfaces: A case study of phase-separating Li X FePO 4 electrode particles

In this paper, we present a comprehensive phase-field model for simulating diffusion-mediated kinetic phase behaviors near the surface of a solid particle. The model incorporates elastic inhomogeneity and anisotropy, diffusion mobility anisotropy, interfacial energy anisotropy, and Cahn–Hilliard diffusion kinetics. The free energy density function is formulated based on the regular solution model taking into account the possible solute-surface interaction near the surface. The coherency strain energy is computed using the Fourier-spectral iterative-perturbation method due to the strong elastic inhomogeneity with a zero surface traction boundary condition. Employing a phase-separating Li X FePO 4 electrode particle for Li-ion batteries as a model system, we perform parametric three-dimensional computer simulations. The model permits the observation of surface phase behaviors that are different from the bulk counterpart. For instance, it reproduces the theoretically well-established surface modes of spinodal decomposition of an unstable solid solution: the surface mode of coherent spinodal decomposition and the surface-directed spinodal decomposition mode. We systematically investigate the influences of major factors on the kinetic surface phase behaviors during the diffusional process. Finally, our simulation study provides insights for tailoring the internal phase microstructure of a particle by controlling the surface phase morphology.

25 ENERGY STORAGE↗
DOE OSTI2016

Surface Magnetism of Cobalt Nanoislands Controlled by Atomic Hydrogen

Controlling the spin states of the surface and interface is key to spintronic applications of magnetic materials. We report the evolution of surface magnetism of Co nanoislands on Cu(111) upon hydrogen adsorption and desorption with the hope of realizing reversible control of spin-dependent tunneling. Spin-polarized scanning tunneling microscopy reveals three types of hydrogen-induced surface superstructures, 1H-(2 × 2), 2H-(2 × 2), and 6H-(3 × 3), with increasing H coverage. The prominent magnetic surface states of Co, while being preserved at low H coverage, become suppressed as the H coverage level increases, which can then be recovered by H desorption. First-principles calculations reveal the origin of the observed magnetic surface states by capturing the asymmetry between the spin-polarized surface states and identify the role of hydrogen in controlling the magnetic states. This study offers new insights into the chemical control of magnetism in low-dimensional systems.

36 MATERIALS SCIENCE↗
NASA NTRS2003

Optimal Observations for Variational Data Assimilation

An important aspect of Ocean state estimation is the design of an observing system that allows the efficient study of climate aspects in the ocean. A solution of the design problem is presented here in terms of optimal observations that emerge as nondimensionalized singular vectors of the modified data resolution matrix. The actual computation is feasible only for scalar quantities in the limit of large observational errors. In the framework of a lo resolution North Atlantic primitive equation model it is demonstrated that such optimal observations when applied to determining the strength of the volume and heat transport across the Greenland-Scotland ridge, perform significantly better than traditional section data. On seasonal to inter-annual time-scales optimal observations are located primarily along the continental shelf and information about heat-transport, wind stress and stratification is being communicated via boundary waves and advective processes. On time-scales of about a month, sea surface height observations appear to be more efficient in reconstructing the cross-ridge heat transport than hydrographic observations. Optimal observations also provide a tool for understanding how the ocean state is effected by anomalies of integral quantities such as meridional heat transport.

Koehl, Armin↗
NASA NTRS2007

Spacebased Estimation of Moisture Transport in Marine Atmosphere Using Support Vector Regression

An improved algorithm is developed based on support vector regression (SVR) to estimate horizonal water vapor transport integrated through the depth of the atmosphere ((Theta)) over the global ocean from observations of surface wind-stress vector by QuikSCAT, cloud drift wind vector derived from the Multi-angle Imaging SpectroRadiometer (MISR) and geostationary satellites, and precipitable water from the Special Sensor Microwave/Imager (SSM/I). The statistical relation is established between the input parameters (the surface wind stress, the 850 mb wind, the precipitable water, time and location) and the target data ((Theta) calculated from rawinsondes and reanalysis of numerical weather prediction model). The results are validated with independent daily rawinsonde observations, monthly mean reanalysis data, and through regional water balance. This study clearly demonstrates the improvement of (Theta) derived from satellite data using SVR over previous data sets based on linear regression and neural network. The SVR methodology reduces both mean bias and standard deviation comparedwith rawinsonde observations. It agrees better with observations from synoptic to seasonal time scales, and compare more favorably with the reanalysis data on seasonal variations. Only the SVR result can achieve the water balance over South America. The rationale of the advantage by SVR method and the impact of adding the upper level wind will also be discussed.

Support vector regression↗
NASA NTRS2022

The Dynamical Role of the Chesapeake Bay on the Local Ozone Pollution Using Mesoscale Modeling—A Case Study

This study investigated the dynamic influence of the Chesapeake Bay (CB) on local ozone (O3) concentration and distribution using a weather forecasting model. The Weather Research and Forecasting model coupled with Chemistry (WRF–Chem) was employed to simulate O3 production and transportation near the CB. Baseline (water) as well as sensitivity (nowater) model experiments of bay circulation were carried out with and without bay water by changing the water surface from water to land (loam). First, the model performance simulating O3 was evaluated using the baseline experiment results and AirNow surface wind and O3 observations. The results showed that the model overestimates surface O3 by up to 20–30%. Further, the comparisons of the baseline and sensitivity experiments revealed higher O3 mixing ratios, primarily due to the resulting bay breeze circulation. These increases, after considering model overestimation, represent a mean bay dynamics circulation-induced contribution of up to 10% at night and 5% during the day. Furthermore, the boundary layer over northern CB, where it is at its narrowest width, was higher (by 1.2 km on average) during daytime due to higher surface temperatures observed. The boundary layer depth difference between the northern, central, and southern regions of the bay leads to a differential in the role of bay circulation dynamics in the observed O3 increase. The relatively wider swath of water surface over southern CB resulted in a lower boundary layer depth and stronger breeze circulation and this circulation contributed to O3 concentrations. Moreover, since the case selected has a minimal bay breeze circulation, the associated surface ozone enhancements represent what is expected at least at a minimum.

Chesapeak Bay↗
NASA NTRS2001

Applications of Satellite Total Lightning Observations

Low-earth orbit satellite measurements of total lightning have diverse applications for lightning-related NOx production. Topics to be covered include: (1) current availability of gridded global and tropical lightning climatologies from the OTD and LIS sensors; (2) estimation of the IC:CG ratio from combination of satellite and surface network observations (relevant for net storm production); (3) determination of land and ocean storm flash rate spectra, and their implications for parameterized "scaling law" approaches to lightning NOx estimation; and (4) use of satellite observations to assess and correct for the range-dependent performance of groundbased systems, including LDAR and NLDN.

Boccippio, Dennis J.↗
DOE OSTI2016

Coexistence of Weyl physics and planar defects in the semimetals TaP and TaAs

We report a structural study of the Weyl semimetals TaAs and TaP, utilizing diffraction and imaging techniques, where we show that they contain a high density of defects, leading to nonstoichiometric single crystals of both semimetals. Despite the observed defects and nonstoichiometry on samples grown using techniques already reported in the literature, de Haas–van Alphen measurements on TaP reveal quantum oscillations and a high carrier mobility, an indication that the crystals are of quality comparable to those reported elsewhere. Electronic structure calculations on TaAs reveal that the position of the Weyl points relative to the Fermi level shift with the introduction of vacancies and stacking faults. In the case of vacancies the Fermi surface becomes considerably altered, while the effect of stacking faults on the electronic structure is to allow the Weyl pockets to remain close to the Fermi surface. The observation of quantum oscillations in a nonstoichiometric crystal and the persistence of Weyl fermion pockets near the Fermi surface in a crystal with stacking faults point to the robustness of these quantum phenomena in these materials.

36 MATERIALS SCIENCE↗
NASA NTRS1980

Interpretation of postseismic deformation with a viscoelastic relaxation model

A viscoelastic relaxation model is used to interpret postseismic surface deformation for the large-magnitude Aleutian earthquakes of 1957 and 1965. The lithosphere and asthenosphere are modeled as elastic solids with an anomalous viscoelastic inclusion below the island arc volcanoes. It is found that the observed postseismic surface deformation is a corollary of the known island arc structure. A satisfactory fit to the uplift following the 1957 earthquake is found for a viscoelastic volume with 80-km width extending from a depth of 50 to 200 km.

Wahr, J.↗
NASA NTRS1987

The Martian Hadley circulation - Comparison of 'viscous' model predictions to observations

A comparison is conducted between the results of an analytical, steady, thermally-forced viscous model for the Martian atmosphere's zonally-averaged global circulation and observations of aeolian feature directions and atmospheric temperatures. While the observed northeasterly surface winds at high northern latitudes could be produced by possible CO2 fluxes from the northern polar cap, and southern latitudes' thermal structure during this storm is well reproduced, a major discrepancy is noted between predictions and observations of the middle northern latitudes' temperature structure.

Magalhaes, Julio A.↗
NASA NTRS2012

The Response of Tropospheric Ozone to ENSO in Observations and a Chemistry-Climate Simulation

The El Nino-Southern Oscillation (ENSO) is the dominant mode of tropical variability on interannual time scales. ENSO appears to extend its influence into the chemical composition of the tropical troposphere. Recent results have revealed an ENSO induced wave-l anomaly in observed tropical tropospheric column ozone. This results in a dipole over the western and eastern tropical Pacific, whereby differencing the two regions produces an ozone anomaly with an extremely high correlation to the Nino 3.4 Index. We have successfully reproduced this result using the Goddard Earth Observing System Version 5 (GEOS-5) general circulation model coupled to a comprehensive stratospheric and tropospheric chemical mechanism forced with observed sea surface temperatures over the past 25 years. An examination of the modeled ozone field reveals the vertical contributions of tropospheric ozone to the column over the western and eastern Pacific region. We will show targeted comparisons with observations from NASA's Aura satellite Microwave Limb Sounder (MLS), and the Tropospheric Emissions Spectrometer (TES) to provide insight into the vertical structure of ozone changes. The tropospheric ozone response to ENSO could be a useful chemistry-climate model evaluation tool and should be considered in future modeling assessments.

Oman, L. D.↗
NASA NTRS2012

The Response of Lower Atmospheric Ozone to ENSO in Aura Measurements and a Chemistry-Climate Simulation

The El Nino-Southern Oscillation (ENSO) is the dominant mode of tropical variability on interannual time scales. ENSO appears to extend its influence into the chemical composition of the tropical troposphere. Recent work has revealed an ENSO-induced wave-1 anomaly in observed tropical tropospheric column ozone. This results in a dipole over the western and eastern tropical Pacific, whereby differencing the two regions produces an ozone anomaly with an extremely high correlation to the Nino 3.4 Index. We have successfully reproduced this feature using the Goddard Earth Observing System Version 5 (GEOS-5) general circulation model coupled to a comprehensive stratospheric and tropospheric chemical mechanism forced with observed sea surface temperatures over the past 25 years. An examination of the modeled ozone field reveals the vertical contributions of tropospheric ozone to the column over the western and eastern Pacific region. We will show composition sensitivity in observations from NASA s Aura satellite Microwave Limb Sounder (MLS) and the Tropospheric Emissions Spectrometer (TES) and a simulation to provide insight into the vertical structure of these ENSO-induced ozone changes. The ozone changes due to the Quasi-Biennial Oscillation (QBO) in the extra-polar upper troposphere and lower stratosphere in MLS measurements will also be discussed.

Oman, L. D.↗
NASA NTRS2014

The Impact of the Atlantic Cold Tongue on West African Monsoon Onset in Regional Model Simulations for 1998-2002

The Atlantic cold tongue (ACT) develops during spring and early summer near the Equator in the Eastern Atlantic Ocean and Gulf of Guinea. The hypothesis that the ACT accelerates the timing of West African monsoon (WAM) onset is tested by comparing two regional climate model (RM3) simulation ensembles. Observed sea surface temperatures (SST) that include the ACT are used to force a control ensemble. An idealized, warm SST perturbation is designed to represent lower boundary forcing without the ACT for the experiment ensemble. Summer simulations forced by observed SST and reanalysis boundary conditions for each of five consecutive years are compared to five parallel runs forced by SST with the warm perturbation. The article summarizes the sequence of events leading to the onset of the WAM in the Sahel region. The representation of WAM onset in RM3 simulations is examined and compared to Tropical Rainfall Measuring Mission (TRMM), Global Precipitation Climatology Project (GPCP) and reanalysis data. The study evaluates the sensitivity of WAM onset indicators to the presence of the ACT by analysing the differences between the two simulation ensembles. Results show that the timing of major rainfall events and therefore theWAM onset in the Sahel are not sensitive to the presence of the ACT. However, the warm SST perturbation does increase downstream rainfall rates over West Africa as a consequence of enhanced specific humidity and enhanced northward moisture flux in the lower troposphere.

Regional model simulation↗
NASA NTRS2012

Jet-Surface Interaction Test: Phased Array Noise Source Localization Results

Subsonic jets are relatively simple. The peak noise source location gradually moves upstream toward the nozzle as frequency increases. 2) Supersonic jets are more complicated. The peak noise source location moves downstream as frequency increases through a BBSN hump. 3) In both subsonic and supersonic jets the peak noise source location corresponding to a given frequency of noise moves downstream as jet Mach number increases. 4) The noise generated at a given frequency in a BBSN hump is generated by a small number of shocks, not from all the shocks at the same time. 5) Single microphone spectrum levels decrease when the noise source locations measured with the phased array are blocked by a shielding surface. This consistency validates the phased array data and the stationary monopole source model used to process it. 6) Reflecting surface data illustrate that the law of reflection must be satisfied for noise to reflect off a surface toward an observer. Depending on the relative locations of the jet, the surface and the observer only some of the jet noise sources may satisfy this requirement. 7) The low frequency noise created when a jet flow impinges on a surface comes primarily from the trailing edge regardless of the axial extent impacted by the flow.

Podboy, Gary↗