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Simulation studies for surfaces and materials strength

From intermolecular force studies, it is now known that the overall non-additive contribution to the lattice enegy is positive so that analysis based on only pairwise additivity suggests a shallower intermolecular potential than the true value. Two body contributions alone are also known to be categorically unable to even qualitatively describe some configurations of molecular clusters in the gas phase or the general relaxation and reconstruction of fcc crystal surfaces. In addition, the many-body contribution was shown to play a key role in the stability of certain crystal structures. In these recent analyses, a relatively simple potential energy function (PEF), comprising only a two-body Mie-type potential plus a three-body Axilrod-Teller-type potential, was found to be extremely effective. This same parametric PEF is applied to describe the bulk stability and surface energy for the diamond cubic structure. To test the stability condition, the FCC, BCC, diamond cubic, graphite and beta-tin structures were considered.

Halicioglu, T.↗

CFD Modelling of Bore Erosion in Two-Stage Light Gas Guns

A well-validated quasi-one-dimensional computational fluid dynamics (CFD) code for the analysis of the internal ballistics of two-stage light gas guns is modified to explicitly calculate the ablation of steel from the gun bore and the incorporation of the ablated wall material into the hydrogen working cas. The modified code is used to model 45 shots made with the NASA Ames 0.5 inch light gas gun over an extremely wide variety of gun operating conditions. Good agreement is found between the experimental and theoretical piston velocities (maximum errors of +/-2% to +/-6%) and maximum powder pressures (maximum errors of +/-10% with good igniters). Overall, the agreement between the experimental and numerically calculated gun erosion values (within a factor of 2) was judged to be reasonably good, considering the complexity of the processes modelled. Experimental muzzle velocities agree very well (maximum errors of 0.5-0.7 km/sec) with theoretical muzzle velocities calculated with loading of the hydrogen gas with the ablated barrel wall material. Comparison of results for pump tube volumes of 100%, 60% and 40% of an initial benchmark value show that, at the higher muzzle velocities, operation at 40% pump tube volume produces much lower hydrogen loading and gun erosion and substantially lower maximum pressures in the gun. Large muzzle velocity gains (2.4-5.4 km/sec) are predicted upon driving the gun harder (that is, upon using, higher powder loads and/or lower hydrogen fill pressures) when hydrogen loading is neglected; much smaller muzzle velocity gains (1.1-2.2 km/sec) are predicted when hydrogen loading is taken into account. These smaller predicted velocity gains agree well with those achieved in practice. CFD snapshots of the hydrogen mass fraction, density and pressure of the in-bore medium are presented for a very erosive shot.

Bogdanoff, D. W.↗

Air Pollution Scenario over Pakistan: Characterization and Ranking of Extremely Polluted Cities using Long-Term Concentrations of Aerosols and Trace Gases

Pakistan ranks third in the world in terms of mortality attributable to air pollution, with aerosol mass concentrations (PM2.5) consistently well above WHO (World Health Organization) air quality guidelines (AQG). However, regulation is dependent on a sparse network of air quality monitoring stations and insufficient ground data. This study utilizes long-term observations of aerosols and trace gases to characterize and rank the air pollution scenarios and pollution characteristics of 80 selected cities in Pakistan. Datasets used include (1) the Aqua and Terra (AquaTerra) MODIS (Moderate Resolution Imaging Spectroradiometer) Level 2 Collection 6.1 merged Dark Target and Deep Blue (DTB) aerosol optical depth (AOD) retrieval products; (2) the CAMS (Copernicus Atmosphere Monitoring Service) reanalysis PM1, PM2.5, and PM10 data; (3) the MERRA-2 (Modern-Era Retrospective analysis for Research and Applications, Version 2) reanalysis PM2.5 data, (4) the OMI (Ozone Monitoring Instrument) tropospheric vertical column density (TVCD) of nitrogen dioxide (NO2), and VCD of sulfur dioxide (SO2) in the Planetary Boundary Layer (PBL), (5) the VIIRS (Visible Infrared Imaging Radiometer Suite) Nighttime Lights data, (6) MODIS Collection 6 Version 2 global monthly fire location data (MCD14ML), (7) population density, (8) MODIS Level 3 Collection 6 land cover types, (9) AERONET (AErosol RObotic NETwork) Version 3 Level 2.0 data, and (10) ground-based PM2.5 concentrations from air quality monitoring stations. Potential Source Contribution Function (PSCF) analyses were performed by integrating with ground-based PM2.5 concentrations and the NOAA (National Oceanic and Atmospheric Administration) HYSPLIT (Hybrid Single-Particle Lagrangian Integrated Trajectory) air parcel back trajectories to identify potential pollution source areas which are responsible for extreme air pollution in Pakistan. Results show that the ranking of the top polluted cities depends on the type of pollutant considered and the metric used. For example, Jhang, Multan, and Vehari were characterized as the top three polluted cities in Pakistan when considering AquaTerra DTB AOD products; for PM1, PM2.5, and PM10 Lahore, Gujranwala, and Okara were the top three; for tropospheric NO2 VCD Lahore, Rawalpindi, and Islamabad and for PBL SO2 VCD Lahore, Mirpur, and Gujranwala. The results demonstrate that Pakistan’s entire population has been exposed to high PM2.5 concentrations for many years, with a mean annual value of 54.7 μg/cu. m, over all Pakistan from 2003 to 2020. This value exceeds Pakistan’s National Environmental Quality Standards (Pak-NEQS, i.e., <15 μg/cu. m annual mean) for ambient air defined by the Pakistan Environmental Protection Agency (Pak-EPA) as well as the WHO Interim Target-1 (i.e., mean annual PM2.5 <35 μg/cu. m). The spatial analyses of the concentrations of aerosols and trace gases in terms of population density, nighttime lights, land cover types, and fire location data, and the PSCF analysis indicate that Pakistan’s air quality is strongly affected by anthropogenic sources inside of Pakistan, with contributions from surrounding countries. Statistically significant positive (increasing) trends in PM1, PM2.5, PM10, tropospheric NO2 VCD, and SO2 VCD were observed in ~89%, ~67%, ~48%, 91%, and ~88% of the Pakistani cities (80 cities), respectively. This comprehensive analysis of aerosol and trace gas levels, their characteristics in spatio-temporal domains, and their trends over Pakistan, is the first of its kind. Results will be helpful to the Ministry of Climate Change (Government of Pakistan), Pak-EPA, SUPARCO (Pakistan Space and Upper Atmosphere Research Commission), policymakers, and the local research community to mitigate air pollution and its effects on human health.

Muhammad Bilal↗

Sounding rocket measurement of the absolute solar EUV flux utilizing a silicon photodiode

A newly developed stable and high quantum efficiency silicon photodiode was used to obtain an accurate measurement of the integrated absolute magnitude of the solar extreme UV photon flux in the spectral region between 50 and 800 A. The adjusted daily 10.7-cm solar radio flux and sunspot number were 168.4 and 121, respectively. The unattenuated absolute value of the solar EUV flux at 1 AU in the specified wavelength region was 6.81 x 10 to the 10th photons/sq cm per s. Based on a nominal probable error of 7 percent for National Institute of Standards and Technology detector efficiency measurements in the 50- to 500-A region (5 percent on longer wavelength measurements between 500 and 1216 A), and based on experimental errors associated with the present rocket instrumentation and analysis, a conservative total error estimate of about 14 percent is assigned to the absolute integral solar flux obtained.

Ogawa, H. S.↗

Study of GaAs-oxide interface by transient capacitance spectroscopy - Discrete energy interface states

Interface states and bulk GaAs energy levels were simultaneously investigated in GaAs MOS structures prepared by anodic oxidation. These two types of energy levels were successfully distinguished by carrying out a comparative analysis of deep level transient capacitance spectra of the MOS structures and MS structures prepared on the same samples of epitaxially grown GaAs. The identification and study of the interface states and bulk levels was also performed by investigating the transient capacitance spectra as a function of the filling pulse magnitude. It was found that in the GaAs-anodic oxide interface there are states present with a discrete energy rather than with a continuous energy distribution. The value of the capture cross section of the interface states was found to be 10 to the 14th to 10 to the 15th/sq cm, which is more accurate than the extremely large values of 10 to the -8th to 10 to the -9th/sq cm reported on the basis of conductance measurements.

Kamieniecki, E.↗

Large-Scale Groundwater Monitoring in Brazil Assisted With Satellite-Based Artificial Intelligence Techniques

Here, we develop and test an artificial intelligence (AI)-based approach to monitor major Brazilian aquifers. The approach combines Gravity Recovery and Climate Experiment (GRACE) data and ground-based hydrogeological measurements from Brazil’s Integrated Groundwater Monitoring Network at hundreds of wells distributed in twelve aquifers across the country. We tested model ensembles based on three AI approaches: Extreme Gradient Boost, Light Gradient Boosting Model and CatBoost, followed by a Linear Regression (LR) step. The approach is further boosted with wavelet and seasonal decomposition processes applied to GRACE data. To determine the AI-based model’s sensitivity to data availability, we propose four experiments combining hydrogeological measurements from different aquifers. Groundwater storage estimates from the Global Land Data Assimilation System (GLDAS) are used as benchmark. A sensitivity analysis shows that the LR-based model ensemble is the best suited and to reproduce groundwater storage change in all studied Brazilian aquifers. Results show that the proposed approach outperforms GLDAS in all experiments, with an RMSE value of 2.68cm for the experiment that covers all monitored wells in Brazil. GLDAS resulted in RMSE=6.76cm. Using our AI model outputs, we quantified the groundwater storage change of two major aquifers, Urucuia and Bauru-Caiuá, over the past two decades: -31km 3 and -6km 3 , respectively. Water loss is driven by a prolonged drought across most of the country and intensification of groundwater pumping for irrigation. This study demonstrates that combining satellite data and AI can be a cost-effective alternative to monitor poorly equipped aquifers at the continental scale, with possible global replicability.

GRACE↗

NM-Scale Anatomy of an Entire Stardust Carrot Track

Comet Wild-2 samples collected by NASA s Stardust mission are extremely complex, heterogeneous, and have experienced wide ranges of alteration during the capture process. There are two major types of track morphologies: "carrot" and "bulbous," that reflect different structural/compositional properties of the impactors. Carrot type tracks are typically produced by compact or single mineral grains which survive essentially intact as a single large terminal particle. Bulbous tracks are likely produced by fine-grained or organic-rich impactors [1]. Owing to their challenging nature and especially high value of Stardust samples, we have invested considerable effort in developing both sample preparation and analytical techniques tailored for Stardust sample analyses. Our report focuses on our systematic disassembly and coordinated analysis of Stardust carrot track #112 from the mm to nm-scale.

Nakamura-Messenger, K.↗

Investigating Access Performance of Long Time Series with Restructured Big Model Data

Data sets generated by models are substantially increasing in volume, due to increases in spatial and temporal resolution, and the number of output variables. Many users wish to download subsetted data in preferred data formats and structures, as it is getting increasingly difficult to handle the original full-size data files. For example, application research users such as those involved with wind or solar energy, or extreme weather events are likely only interested in daily or hourly model data at a single point (or for a small area) for a long time period, and prefer to have the data downloaded in a single file. With native model file structures, such as hourly data from NASA Modern-Era Retrospective analysis for Research and Applications Version-2 (MERRA-2), it may take over 10 hours for the extraction of parameters-of-interest at a single point for 30 years. The NASA Goddard Earth Sciences Data and Information Services Center (GES DISC) is exploring methods to address this particular user need. One approach is to create value-added data by reconstructing the data files. Taking MERRA-2 data as an example, we have tested converting hourly data from one-day-per-file into different data cubes, such as one-month, or one-year. Performance is compared for reading local data files and accessing data through interoperable services, such as OPeNDAP. Results show that, compared to the original file structure, the new data cubes offer much better performance for accessing long time series. We have noticed that performance is associated with the cube size and structure, the compression method, and how the data are accessed. An optimized data cube structure will not only improve data access, but also may enable better online analysis services

reanalysis↗

Analysis of the Range and Range Rate Tracking System

The "range and range rate"' (r(sub i) + r(sub i)) system in its very simplest form is described. In particular, the errors in position and velocity are treated using pessimistic values of the measured quantities r(sub i) and r(sub i). Thus, a realistic evaluation of tracking qualities can be made for different orbits over certain tracking stations. The range and range rate system briefly described in this paper is a high-precision tracking system. Knowledge of the uncertainty in position δ(sub xi) is important, but knowledge of the uncertainty of the velocity vector δ(sub xi) is of the utmost importance. Thus the use of coherent Doppler measurements to determine the velocity has a great advantage over any pulsed system and, in addition, permits extremely narrow frequency bandwidths (in the order of 10 to 100 cps) to be employed, reducing the power requirements considerably. The basis for using range r(sub i) and range rate r(sub i) only is the fact that r(sub i) and r(sub i) can be measured to very high precision, thus furnishing r and r with low errors. The nature of these errors is discussed.

Vonbun, F. O.↗

LSENS, a general chemical kinetics and sensitivity analysis code for gas-phase reactions: User's guide

A general chemical kinetics and sensitivity analysis code for complex, homogeneous, gas-phase reactions is described. The main features of the code, LSENS, are its flexibility, efficiency and convenience in treating many different chemical reaction models. The models include static system, steady, one-dimensional, inviscid flow, shock initiated reaction, and a perfectly stirred reactor. In addition, equilibrium computations can be performed for several assigned states. An implicit numerical integration method, which works efficiently for the extremes of very fast and very slow reaction, is used for solving the 'stiff' differential equation systems that arise in chemical kinetics. For static reactions, sensitivity coefficients of all dependent variables and their temporal derivatives with respect to the initial values of dependent variables and/or the rate coefficient parameters can be computed. This paper presents descriptions of the code and its usage, and includes several illustrative example problems.

Radhakrishnan, Krishnan↗

Plasmaspheric Erosion via Plasmasphere Coupling to Ring Current Plasmas: EUV Observations and Modeling

During a geomagnetic storm on 24 May 2000, the IMAGE Extreme Ultraviolet (EUV) camera observed a plasmaspheric density trough in the evening sector at L-values inside the plasmapause. Forward modeling of this feature has indicated that plasmaspheric densities beyond the outer wall of the trough are well below model expectations. This diminished plasma condition suggests the presence of an erosion process due to the interaction of the plasmasphere with ring current plasmas. We present an overview of EUV, energetic neutral atom (ENA), and Far Ultraviolet (FUV) camera observations associated with the plasmaspheric density trough of 24 May 2000, as well as forward modeling evidence of the lie existence of a plasmaspheric erosion process during this period. FUV proton aurora image analysis, convolution of ENA observations, and ring current modeling are then presented in an effort to associate the observed erosion with coupling between the plasmasphere and ring-current plasmas.

Adrian, M. L.↗

Analysis of the ''Range and Range Rate'' Tracking System

The "Range and Range Rate" (r(sub j) + r ̇(sub j)) System in its very simplest form is described. In particular, the errors in position and velocity are treated usingpessimistic values of the measured quantities r(sub j) and r ̇(sub j). Thus, a realistic evaluation of tracking qualities can be made for different orbits over certain tracking stations. The Range and Range Rate System briefly described in this report is a high precision tracking system. Knowledge of the uncertainty in position δ (sub x(sub i) is important, but knowledge of the uncertainty of the velocity vector δ (sub x(sub i) is of the utmost importance. Thus the use of coherent Doppler measurements to determine the velocity has a great advantage over any pulsed system and, in addition, permits extremely narrow frequency bands (in the order of 10 to 100 cps) to be employed, reducing the power requirements considerably. The basis for using range r(sub j) and range rate r ̇(sub j) only is the fact that r(sub j) and r ̇(sub j) can be measured to very high precision, thus furnishing r and r with low errors. The nature of these errors is discussed.

Tracking system↗

Spectral decomposition of AVIRIS data

A set of techniques is presented that uses only information contained within a raw Airborne Visible/Infrared Imaging Spectrometer (AVIRIS) scene to estimate and to remove additive components such as multiple scattering and instrument dark current. Multiplicative components (instrument gain, topographic modulation of brightness, atmospheric transmission) can then be normalized, permitting enhancement, extraction, and identification of relative reflectance information related to surface composition and mineralogy. The technique for derivation of additive-component spectra from a raw AVIRIS scene is an adaption of the 'regression intersection method' of Crippen. This method uses two surface units that are spatially extensive, and located in rugged terrain. For a given wavelength pair, subtraction of the derived additive component from individual band values will remove topography in both regions in a band/band ratio image. Normalization of all spectra in the scene to the average scene spectrum then results in cancellation of multiplicative components and production of a relative-reflectance scene. The resulting AVIRIS product contains relative-reflectance features due to mineral absorption that depart from the average spectrum. These features commonly are extremely weak and difficult to recognize, but they can be enhanced by using two simple 3-D image-processing tools. The validity of these techniques will be demonstrated by comparisons between relative-reflectance AVIRIS spectra and those derived by using JPL standard calibrations. The AVIRIS data used in this analysis were acquired over the Kelso Dunes area (34 deg 55' N, 115 deg 43' W) of the eastern Mojave Desert, CA (in 1987) and the Upheaval Dome area (38 deg 27' N, 109 deg 55' W) of the Canyonlands National Park, UT (in 1991).

Gaddis, Lisa↗

Tropical and Subtropical Cloud Transitions in Weather and Climate Prediction Models: The GCSS/WGNE Pacific Cross-Section Intercomparison (GPCI)

A model evaluation approach is proposed in which weather and climate prediction models are analyzed along a Pacific Ocean cross section, from the stratocumulus regions off the coast of California, across the shallow convection dominated trade winds, to the deep convection regions of the ITCZ the Global Energy and Water Cycle Experiment Cloud System Study/Working Group on Numerical Experimentation (GCSS/ WGNE) Pacific Cross-Section Intercomparison (GPCI). The main goal of GPCI is to evaluate and help understand and improve the representation of tropical and subtropical cloud processes in weather and climate prediction models. In this paper, a detailed analysis of cloud regime transitions along the cross section from the subtropics to the tropics for the season June July August of 1998 is presented. This GPCI study confirms many of the typical weather and climate prediction model problems in the representation of clouds: underestimation of clouds in the stratocumulus regime by most models with the corresponding consequences in terms of shortwave radiation biases; overestimation of clouds by the 40-yr ECMWF Re-Analysis (ERA-40) in the deep tropics (in particular) with the corresponding impact in the outgoing longwave radiation; large spread between the different models in terms of cloud cover, liquid water path and shortwave radiation; significant differences between the models in terms of vertical cross sections of cloud properties (in particular), vertical velocity, and relative humidity. An alternative analysis of cloud cover mean statistics is proposed where sharp gradients in cloud cover along the GPCI transect are taken into account. This analysis shows that the negative cloud bias of some models and ERA-40 in the stratocumulus regions [as compared to the first International Satellite Cloud Climatology Project (ISCCP)] is associated not only with lower values of cloud cover in these regimes, but also with a stratocumulus-to-cumulus transition that occurs too early along the trade wind Lagrangian trajectory. Histograms of cloud cover along the cross section differ significantly between models. Some models exhibit a quasi-bimodal structure with cloud cover being either very large (close to 100%) or very small, while other models show a more continuous transition. The ISCCP observations suggest that reality is in-between these two extreme examples. These different patterns reflect the diverse nature of the cloud, boundary layer, and convection parameterizations in the participating weather and climate prediction models.

Teixeira, J.↗

The Extreme Spin of the Black Hole in Cygnus X-1

The compact primary in the X-ray binary Cygnus X-1 was the first black hole to be established via dynamical observations. We have recently determined accurate values for its mass and distance, and for the orbital inclination angle of the binary. Building on these results, which are based on our favored (asynchronous) dynamical model, we have measured the radius of the inner edge of the black hole s accretion disk by fitting its thermal continuum spectrum to a fully relativistic model of a thin accretion disk. Assuming that the spin axis of the black hole is aligned with the orbital angular momentum vector, we have determined that Cygnus X-1 contains a near-extreme Kerr black hole with a spin parameter a* > 0.95 (3(sigma)). For a less probable (synchronous) dynamical model, we find a. > 0.92 (3 ). In our analysis, we include the uncertainties in black hole mass, orbital inclination angle, and distance, and we also include the uncertainty in the calibration of the absolute flux via the Crab. These four sources of uncertainty totally dominate the error budget. The uncertainties introduced by the thin-disk model we employ are particularly small in this case given the extreme spin of the black hole and the disk s low luminosity.

Gou, Lijun↗

The Extreme Spin of the Black Hole in Cygnus X-1

The compact primary in the X-ray binary Cygnus X-1 was the first black hole to be established via dynamical observatIOns. We have recently determined accurate values for its mass and distance, and for the orbital inclination angle of the binary. Building on these.results, which are based on our favored (asynchronous) dynamical model, we have measured the radius of the inner edge of the black hole's accretion disk by fitting its thermal continuum.spectrum to a fully relativistic model of a thin accretion disk. Assuming that the spin axis of the black hole is aligned with the orbital angular momentum vector, we have determined that Cygnus X-I contains a near-extreme Kerr black hole with a spin parameter a* > 0.95 (3(sigma)). For a less probable (synchronous) dynamIcal model, we find a* > 0.92 (3(sigma)). In our analysis, we include the uncertainties in black hole mass orbital inclination angle and distance, and we also include the uncertainty in the calibration of the absolute flux via the Crab. These four sources of uncertainty totally dominate the error budget. The uncertainties introduced by the thin-disk model we employ are particularly small in this case given the extreme spin of the black hole and the disk's low luminosity.

Gou, Lijun↗

Comparing Evaporative Sources of Terrestrial Precipitation and Their Extremes in MERRA Using Relative Entropy

A quasi-isentropic back trajectory scheme is applied to output from the Modern Era Retrospective-analysis for Research and Applications and a land-only replay with corrected precipitation to estimate surface evaporative sources of moisture supplying precipitation over every ice-free land location for the period 1979-2005. The evaporative source patterns for any location and time period are effectively two dimensional probability distributions. As such, the evaporative sources for extreme situations like droughts or wet intervals can be compared to the corresponding climatological distributions using the method of relative entropy. Significant differences are found to be common and widespread for droughts, but not wet periods, when monthly data are examined. At pentad temporal resolution, which is more able to isolate floods and situations of atmospheric rivers, values of relative entropy over North America are typically 50-400 larger than at monthly time scales. Significant differences suggest that moisture transport may be the key to precipitation extremes. Where evaporative sources do not change significantly, it implies other local causes may underlie the extreme events.

Climatological Distributions↗

Observations and Modeling of the Transient General Circulation of the North Pacific Basin

The objective of this study was to clarify the role that interstellar-cloud chemistry played in forming the population of organic molecules presently found in carbonaceous meteorites. This goal was to be achieved by means of defining the isotopic components present in organic and related phases in the meteorites and thereby identify the processes and source reservoirs involved in organic synthesis in the early solar system. Isotopic analysis of separated amino acids from the Murchison meteorite yielded results that are complex and not fully interpretable at this time. Substantial inter-acid variability in D/H ratio was observed, some but not all of which could be attributed to exchange with terrestrial hydrogen. Pronounced, though smaller, variability was also found for N-15/N-14 ratios. For both D/H and N-15/N-14 data, observed meteoritic values were substantially greater than found in terrestrial materials, providing a robust constraint on degrees of possible terrestrial contamination. Also, C-13/C-12 ratios, though falling within the range of data found on earth, significantly exceeded those characteristic of naturally occurring terrestrial amino acids. Inter-acid variability in C-13/C-12 ratios was muted relative to that observed for D/H and N-15/N-14 but still lay well outside of experimental uncertainty. No systematic relationship could be observed between variations in H, C and N isotopes. Two anomalous components were also found during the course of this study. A highly (greater than 6% relative to terrestrial) N-15-depleted, N-rich compound, which has not yet been identified, co-eluted with some amino acids. Clearly the Murchison meteorite sampled nitrogen from a number of highly diverse isotopic reservoirs. In fact, from this and related studies, it is now apparent that the distribution of nitrogen isotopes in the primitive solar system was extremely inhomogeneous. The second anomalous result obtained in the present study was for an extract of 'ammonia' from Murchison. It should be noted that this sample consisted of ammonia that was probably derived from a number of different compounds present in the meteorite itself, possibly including amines and amides, as well as ammonia sensu strictu and ammonium slats. However, the significance of this analysis is that the N-15/N-14 ratio measured was much lower than those found for the meteoritic amino acids (+2% vs around + 9% relative to terrestrial). This raises an important question concerning the source of the ammonia that was involved in synthesis of the amino acids. This issue needs to be explored further.

Kerridge, John F.↗