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All sourcesNASA NTRSDOE OSTI
NASA NTRS1999

Solving Upwind-Biased Discretizations: Multigrid Solver Using Semicoarsening - 2

This paper studies a novel multigrid approach to the solution for a second order upwind biased discretization of the convection equation in two dimensions. This approach is based on semi-coarsening and well balanced explicit correction terms added to coarse-grid operators to maintain on coarse-grid the same cross-characteristic interaction as on the target (fine) grid. Colored relaxation schemes are used on all the levels allowing a very efficient parallel implementation. The results of the numerical tests can be summarized as follows: 1) The residual asymptotic convergence rate of the proposed V(0, 2) multigrid cycle is about 3 per cycle. This convergence rate far surpasses the theoretical limit (4/3) predicted for standard multigrid algorithms using full coarsening. The reported efficiency does not deteriorate with increasing the cycle, depth (number of levels) and/or refining the target-grid mesh spacing. 2) The full multi-grid algorithm (FMG) with two V(0, 2) cycles on the target grid and just one V(0, 2) cycle on all the coarse grids always provides an approximate solution with the algebraic error less than the discretization error. Estimates of the total work in the FMG algorithm are ranged between 18 and 30 minimal work units (depending on the target (discretizatioin). Thus, the overall efficiency of the FMG solver closely approaches (if does not achieve) the goal of the textbook multigrid efficiency. 3) A novel approach to deriving a discrete solution approximating the true continuous solution with a relative accuracy given in advance is developed. An adaptive multigrid algorithm (AMA) using comparison of the solutions on two successive target grids to estimate the accuracy of the current target-grid solution is defined. A desired relative accuracy is accepted as an input parameter. The final target grid on which this accuracy can be achieved is chosen automatically in the solution process. the actual relative accuracy of the discrete solution approximation obtained by AMA is always better than the required accuracy; the computational complexity of the AMA algorithm is (nearly) optimal (comparable with the complexity of the FMG algorithm applied to solve the problem on the optimally spaced target grid).

Diskin, Boris↗
NASA NTRS2007

NASA Tech Briefs, July 2007

Topics covered include: Miniature Intelligent Sensor Module; "Smart" Sensor Module; Portable Apparatus for Electrochemical Sensing of Ethylene; Increasing Linear Dynamic Range of a CMOS Image Sensor; Flight Qualified Micro Sun Sensor; Norbornene-Based Polymer Electrolytes for Lithium Cells; Making Single-Source Precursors of Ternary Semiconductors; Water-Free Proton-Conducting Membranes for Fuel Cells; Mo/Ti Diffusion Bonding for Making Thermoelectric Devices; Photodetectors on Coronagraph Mask for Pointing Control; High-Energy-Density, Low-Temperature Li/CFx Primary Cells; G4-FETs as Universal and Programmable Logic Gates; Fabrication of Buried Nanochannels From Nanowire Patterns; Diamond Smoothing Tools; Infrared Imaging System for Studying Brain Function; Rarefying Spectra of Whispering-Gallery-Mode Resonators; Large-Area Permanent-Magnet ECR Plasma Source; Slot-Antenna/Permanent-Magnet Device for Generating Plasma; Fiber-Optic Strain Gauge With High Resolution And Update Rate; Broadband Achromatic Telecentric Lens; Temperature-Corrected Model of Turbulence in Hot Jet Flows; Enhanced Elliptic Grid Generation; Automated Knowledge Discovery From Simulators; Electro-Optical Modulator Bias Control Using Bipolar Pulses; Generative Representations for Automated Design of Robots; Mars-Approach Navigation Using In Situ Orbiters; Efficient Optimization of Low-Thrust Spacecraft Trajectories; Cylindrical Asymmetrical Capacitors for Use in Outer Space; Protecting Against Faults in JPL Spacecraft; Algorithm Optimally Allocates Actuation of a Spacecraft; and Radar Interferometer for Topographic Mapping of Glaciers and Ice Sheets.

Source record↗
NASA NTRS2019

Daily evaluation of 26 precipitation datasets using Stage-IV gauge-radar data for the CONUS

New precipitation (P) datasets are released regularly, following innovations in weather forecasting models, satellite retrieval methods, and multi-source merging techniques. Using the conterminous US as a case study, we evaluated the performance of 26 gridded (sub-)daily P datasets to obtain insight into the merit of these innovations. The evaluation was performed at a daily timescale for the period 2008–2017 using the Kling–Gupta efficiency (KGE), a performance metric combining correlation, bias, and variability. As a reference, we used the high-resolution (4 km) Stage-IV gauge-radar P dataset. Among the three KGE components, the P datasets performed worst overall in terms of correlation (related to event identification). In terms of improving KGE scores for these datasets, improved P totals (affecting the bias score) and improved distribution of P intensity (affecting the variability score) are of secondary importance. Among the 11 gauge-corrected P datasets, the best overall performance was obtained by MSWEP V2.2, underscoring the importance of applying daily gauge corrections and accounting for gauge reporting times. Several uncorrected P datasets outperformed gauge-corrected ones. Among the 15 uncorrected P datasets, the best performance was obtained by the ERA5-HRES fourth-generation reanalysis, reflecting the significant advances in earth system modeling during the last decade. The (re)analyses generally performed better in winter than in summer, while the opposite was the case for the satellite-based datasets. IMERGHH V05 performed substantially better than TMPA-3B42RT V7, attributable to the many improvements implemented in the IMERG satellite P retrieval algorithm. IMERGHH V05 outperformed ERA5-HRES in regions dominated by convective storms, while the opposite was observed in regions of complex terrain. The ERA5-EDA ensemble average exhibited higher correlations than the ERA5-HRES deterministic run, highlighting the value of ensemble modeling. The WRF regional convection-permitting climate model showed considerably more accurate P totals over the mountainous west and performed best among the uncorrected datasets in terms of variability, suggesting there is merit in using high-resolution models to obtain climatological P statistics. Our findings provide some guidance to choose the most suitable P dataset for a particular application.

Hylke E. Beck↗
NASA NTRS1984

Validation of the Thematic Mapper radiometric and geometric correction algorithms

The radiometric and geometric correction algorithms for Thematic Mapper are critical to subsequent successful information extraction. Earlier Landsat scanners, known as Multispectral Scanners, produce imagery which exhibits striping due to mismatching of detector gains and biases. Thematic Mapper exhibits the same phenomenon at three levels: detector-to-detector, scan-to-scan, and multiscan striping. The cause of these variations has been traced to variations in the dark current of the detectors. An alternative formulation has been tested and shown to be very satisfactory. Unfortunately, the Thematic Mapper detectors exhibit saturation effects suffered while viewing extensive cloud areas, and is not easily correctable. The geometric correction algorithm has been shown to be remarkably reliable. Only minor and modest improvements are indicated and shown to be effective.

Fischel, D.↗
NASA NTRS1979

Accuracy assessment: The statistical approach to performance evaluation in LACIE

A statistical methodology was developed to check the accuracy of the products of the experimental operations throughout crop growth and to determine whether the procedures are adequate to accomplish the desired accuracy and reliability goals. It has allowed the identification and isolation of key problems in wheat area yield estimation, some of which have been corrected and some of which remain to be resolved. The major unresolved problem in accuracy assessment is that of precisely estimating the bias of the LACIE production estimator. Topics covered include: (1) evaluation techniques; (2) variance and bias estimation for the wheat production estimate; (3) the 90/90 evaluation; (4) comparison of the LACIE estimate with reference standards; and (5) first and second order error source investigations.

Houston, A. G.↗
NASA NTRS1994

A new algorithm for attitude-independent magnetometer calibration

A new algorithm is developed for inflight magnetometer bias determination without knowledge of the attitude. This algorithm combines the fast convergence of a heuristic algorithm currently in use with the correct treatment of the statistics and without discarding data. The algorithm performance is examined using simulated data and compared with previous algorithms.

Alonso, Roberto↗
NASA NTRS1996

Geostationary Operational Environmental Satellite (GOES) Gyro Temperature Model

The geostationary Operational Environmental Satellite (GOES) 1/M series of spacecraft are geostationary weather satellites that use the latest in weather imaging technology. The inertial reference unit package onboard consists of three gyroscopes measuring angular velocity along each of the spacecraft's body axes. This digital integrating rate assembly (DIRA) is calibrated and used to maintain spacecraft attitude during orbital delta-V maneuvers. During the early orbit support of GOES-8 (April 1994), the gyro drift rate biases exhibited a large dependency on gyro temperature. This complicated the calibration and introduced errors into the attitude during delta-V maneuvers. Following GOES-8, a model of the DIRA temperature and drift rate bias variation was developed for GOES-9 (May 1995). This model was used to project a value of the DIRA bias to use during the orbital delta-V maneuvers based on the bias change observed as the DIRA warmed up during the calibration. The model also optimizes the yaw reorientation necessary to achieve the correct delta-V pointing attitude. As a result, a higher accuracy was achieved on GOES-9 leading to more efficient delta-V maneuvers and a propellant savings. This paper summarizes the: Data observed on GOES-8 and the complications it caused in calibration; DIRA temperature/drift rate model; Application and results of the model on GOES-9 support.

Rowe, J. N.↗
NASA NTRS2000

Application of Statistical Methods of Rain Rate Estimation to Data From The TRMM Precipitation Radar

The TRMM Precipitation Radar is well suited to statistical methods in that the measurements over any given region are sparsely sampled in time. Moreover, the instantaneous rain rate estimates are often of limited accuracy at high rain rates because of attenuation effects and at light rain rates because of receiver sensitivity. For the estimation of the time-averaged rain characteristics over an area both errors are relevant. By enlarging the space-time region over which the data are collected, the sampling error can be reduced. However. the bias and distortion of the estimated rain distribution generally will remain if estimates at the high and low rain rates are not corrected. In this paper we use the TRMM PR data to investigate the behavior of 2 statistical methods the purpose of which is to estimate the rain rate over large space-time domains. Examination of large-scale rain characteristics provides a useful starting point. The high correlation between the mean and standard deviation of rain rate implies that the conditional distribution of this quantity can be approximated by a one-parameter distribution. This property is used to explore the behavior of the area-time-integral (ATI) methods where fractional area above a threshold is related to the mean rain rate. In the usual application of the ATI method a correlation is established between these quantities. However, if a particular form of the rain rate distribution is assumed and if the ratio of the mean to standard deviation is known, then not only the mean but the full distribution can be extracted from a measurement of fractional area above a threshold. The second method is an extension of this idea where the distribution is estimated from data over a range of rain rates chosen in an intermediate range where the effects of attenuation and poor sensitivity can be neglected. The advantage of estimating the distribution itself rather than the mean value is that it yields the fraction of rain contributed by the light and heavy rain rates. This is useful in estimating the fraction of rainfall contributed by the rain rates that go undetected by the radar. The results at high rain rates provide a cross-check on the usual attenuation correction methods that are applied at the highest resolution of the instrument.

Meneghini, R.↗
NASA NTRS2004

Accuracy Assessments and Validation of an Expanded UV Irradiance Database from Satellite Total Ozone Mapping Spectrometer (TOMS)

The TOMS UV irradiance database (1978 to 2000) has been expanded to include 5 new products (noon irradiance at 305, 310, 324, and 380 nm, and noon erythemal-weighted irradiance), in addition to the existing erythemal daily exposure, which permit direct Comparisons with ground-based measurements from UV spectrometers. Sensitivity studies are conducted to estimate uncertainties of the new TOMS UV irradiance data due to algorithm apriori assumptions. Comparisons with Brewer spectrometers as well as filter radiometers are used to review of the sources of known errors. Inability to distinguish between snow and cloud cover using only TOMS data results in large errors in estimating surface UV using snow climatology. A correction is suggested for the case when the regional snow albedo is known from an independent source. The summer-time positive bias between TOMS UV estimations and Brewer measurements can be seen at all wavelengths. This suggests the difference is not related to ozone absorption effects. We emphasize that uncertainty of boundary layer UV aerosol absorption properties remains a major source of error in modeling UV irradiance in clear sky conditions. Neglecting aerosol absorption by the present TOMS algorithm results in a positive summertime bias in clear-sky UV estimations over many locations. Due to high aerosol variability the bias is strongly site dependent. Data from UV-shadow-band radiometer and well-calibrated CIMEL sun-sky radiometer are used to quantify the bias at NASA/GSFC site in Greenbelt, MD. Recommendations are given to enable potential users to better account for local conditions by combining standard TOMS UV data with ancillary ground measurements.

Krotkov, N. A.↗
NASA NTRS2013

Statistical and Hydrological Evaluation of TRMM-Based Multi-Satellite Precipitation Analysis over the Wangchu Basin of Bhutan: Are the Latest Satellite Precipitation Products 3B42V7 Ready for Use in Ungauged Basins?

The objective of this study is to quantitatively evaluate the successive Tropical Rainfall Measuring Mission (TRMM) Multi-satellite Precipitation Analysis (TMPA) products and further to explore the improvements and error propagation of the latest 3B42V7 algorithm relative to its predecessor 3B42V6 using the Coupled Routing and Excess Storage (CREST) hydrologic model in the mountainous Wangchu Basin of Bhutan. First, the comparison to a decade-long (2001-2010) daily rain gauge dataset reveals that: 1) 3B42V7 generally improves upon 3B42V6s underestimation both for the whole basin (bias from -41.15 to -8.38) and for a 0.250.25 grid cell with high-density gauges (bias from -40.25 to 0.04), though with modest enhancement of correlation coefficients (CC) (from 0.36 to 0.40 for basin-wide and from 0.37 to 0.41 for grid); and 2) 3B42V7 also improves its occurrence frequency across the rain intensity spectrum. Using the CREST model that has been calibrated with rain gauge inputs, the 3B42V6-based simulation shows limited hydrologic prediction NSCE skill (0.23 in daily scale and 0.25 in monthly scale) while 3B42V7 performs fairly well (0.66 in daily scale and 0.77 in monthly scale), a comparable skill score with the gauge rainfall simulations. After recalibrating the model with the respective TMPA data, significant improvements are observed for 3B42V6 across all categories, but not as much enhancement for the already well-performing 3B42V7 except for a reduction in bias (from -26.98 to -4.81). In summary, the latest 3B42V7 algorithm reveals a significant upgrade from 3B42V6 both in precipitation accuracy (i.e., correcting the underestimation) thus improving its potential hydrological utility. Forcing the model with 3B42V7 rainfall yields comparable skill scores with in-situ gauges even without recalibration of the hydrological model by the satellite precipitation, a compensating approach often used but not favored by the hydrology community, particularly in ungauged basins.

TRMM↗
NASA NTRSDate not supplied

Adaptive Multi-Sensor Localization Information Fusion for Autonomous Urban Air Mobility Operations

An adaptive method is developed to iteratively fuse the information provided by multiple sensors to enable autonomous urban air mobility type operations. First, noisy and bias corrupted IMU readings are processed as soon as they arrive using kinematic equations represented in the vehicle's body frame. To correct the systems drift resulting from the integration, an information content measure is introduced to decide on the environment. For the cluttered environment the information provided by environmental sensors is counted as reliable and the drift correction as accurate. For the open space, the GPS data is counted as reliable, and the drift correction is done based on the GPS readings. The measurement noise effects are minimize using Iterated Extended Kalman Filter framework. The algorithm is implemented in the in-house developed FlightDeckz simulation environment using an IMU model, simulated video recorded from a camera mounted on the vehicle (for the purpose of this study, outside scenery was generated with XPlane), which flies in an urban environment, and GPS data generated from the environment's digital map.

Onboard Perception↗
NASA NTRS1983

Performance appraisal of VAS radiometry for GOES-4, -5 and -6

The first three VISSR Atmospheric Sounders (VAS) were launched on GOES-4, -5, and -6 in 1980, 1981 and 1983. Postlaunch radiometric performance is assessed for noise, biases, registration and reliability, with special attention to calibration and problems in the data processing chain. The postlaunch performance of the VAS radiometer meets its prelaunch design specifications, particularly those related to image formation and noise reduction. The best instrument is carried on GOES-5, currently operational as GOES-EAST. Single sample noise is lower than expected, especially for the small longwave and large shortwave detectors. Detector to detector offsets are correctable to within the resolution limits of the instrument. Truncation, zero point and droop errors are insignificant. Absolute calibration errors, estimated from HIRS and from radiation transfer calculations, indicate moderate, but stable biases. Relative calibration errors from scanline to scanline are noticeable, but meet sounding requirements for temporarily and spatially averaged sounding fields of view. The VAS instrument is a potentially useful radiometer for mesoscale sounding operations. Image quality is very good. Soundings derived from quality controlled data meet prelaunch requirements when calculated with noise and bias resistant algorithms.

Chesters, D.↗
NASA NTRS1990

Igniter adapter-to-igniter chamber deflection test

Testing was performed to determine the maximum RSRM igniter adapter-to-igniter chamber joint deflection at the crown of the inner joint primary seal. The deflection data was gathered to support igniter inner joint gasket resiliency predictions which led to launch commit criteria temperature determinations. The proximity (deflection) gage holes for the first test (Test No. 1) were incorrectly located; therefore, the test was declared a non-test. Prior to Test No. 2, test article configuration was modified with the correct proximity gage locations. Deflection data were successfully acquired during Test No. 2. However, the proximity gage deflection measurements were adversely affected by temperature increases. Deflections measured after the temperature rise at the proximity gages were considered unreliable. An analysis was performed to predict the maximum deflections based on the reliable data measured before the detectable temperature rise. Deflections to the primary seal crown location were adjusted to correspond to the time of maximum expected operating pressure (2,159 psi) to account for proximity gage bias, and to account for maximum attach and special bolt relaxation. The maximum joint deflection for the igniter inner joint at the crown of the primary seal, accounting for all significant correction factors, was 0.0031 in. (3.1 mil). Since the predicted (0.003 in.) and tested maximum deflection values were sufficiently close, the launch commit criteria was not changed as a result of this test. Data from this test should be used to determine if the igniter inner joint gasket seals are capable of maintaining sealing capability at a joint displacement of (1.4) x (0.0031 in.) = 0.00434 inches. Additional testing should be performed to increase the database on igniter deflections and address launch commit criteria temperatures.

Cook, M.↗
NASA NTRS2006

Exploring the Connection Between Sampling Problems in Bayesian Inference and Statistical Mechanics

The Bayesian and statistical mechanical communities often share the same objective in their work - estimating and integrating probability distribution functions (pdfs) describing stochastic systems, models or processes. Frequently, these pdfs are complex functions of random variables exhibiting multiple, well separated local minima. Conventional strategies for sampling such pdfs are inefficient, sometimes leading to an apparent non-ergodic behavior. Several recently developed techniques for handling this problem have been successfully applied in statistical mechanics. In the multicanonical and Wang-Landau Monte Carlo (MC) methods, the correct pdfs are recovered from uniform sampling of the parameter space by iteratively establishing proper weighting factors connecting these distributions. Trivial generalizations allow for sampling from any chosen pdf. The closely related transition matrix method relies on estimating transition probabilities between different states. All these methods proved to generate estimates of pdfs with high statistical accuracy. In another MC technique, parallel tempering, several random walks, each corresponding to a different value of a parameter (e.g. "temperature"), are generated and occasionally exchanged using the Metropolis criterion. This method can be considered as a statistically correct version of simulated annealing. An alternative approach is to represent the set of independent variables as a Hamiltonian system. Considerab!e progress has been made in understanding how to ensure that the system obeys the equipartition theorem or, equivalently, that coupling between the variables is correctly described. Then a host of techniques developed for dynamical systems can be used. Among them, probably the most powerful is the Adaptive Biasing Force method, in which thermodynamic integration and biased sampling are combined to yield very efficient estimates of pdfs. The third class of methods deals with transitions between states described by rate constants. These problems are isomorphic with chemical kinetics problems. Recently, several efficient techniques for this purpose have been developed based on the approach originally proposed by Gillespie. Although the utility of the techniques mentioned above for Bayesian problems has not been determined, further research along these lines is warranted

Pohorille, Andrew↗
NASA NTRS2012

The Effect of Geocenter Motion on Jason-2 Orbits and the Mean Sea Level

We compute a series of Jason-2 GPS and SLR/DORIS-based orbits using ITRF2005 and the std0905 standards (Lemoine et al. 2010). Our GPS and SLR/DORIS orbit data sets span a period of 2 years from cycle 3 (July 2008) to cycle 74 (July 2010). We extract the Jason-2 orbit frame translational parameters per cycle by the means of a Helmert transformation between a set of reference orbits and a set of test orbits. We compare the annual terms of these time-series to the annual terms of two different geocenter motion models where biases and trends have been removed. Subsequently, we include the annual terms of the modeled geocenter motion as a degree-1 loading displacement correction to the GPS and SLR/DORIS tracking network of the POD process. Although the annual geocenter motion correction would reflect a stationary signal in time, under ideal conditions, the whole geocenter motion is a non-stationary process that includes secular trends. Our results suggest that our GSFC Jason-2 GPS-based orbits are closely tied to the center of mass (CM) of the Earth consistent with our current force modeling, whereas GSFC's SLR/DORIS-based orbits are tied to the origin of ITRF2005, which is the center of figure (CF) for sub-secular scales. We quantify the GPS and SLR/DORIS orbit centering and how this impacts the orbit radial error over the globe, which is assimilated into mean sea level (MSL) error, from the omission of the annual term of the geocenter correction. We find that for the SLR/DORIS std0905 orbits, currently used by the oceanographic community, only the negligence of the annual term of the geocenter motion correction results in a 4.67 plus or minus 3.40 mm error in the Z-component of the orbit frame which creates 1.06 plus or minus 2.66 mm of systematic error in the MSL estimates, mainly due to the uneven distribution of the oceans between the North and South hemisphere.

Melachroinos, S. A.↗
NASA NTRS2017

Recent Corrections to Meteoroid Environment Models

The dynamical and physical characteristics of a meteoroid affects its behavior in the atmosphere and the damage it does to spacecraft surfaces. Accurate environment models must therefore correctly describe the speed, size, density, and direction of meteoroids. However, the measurement of dynamical characteristics such as speed is subject to observational biases, and physical properties such as size and density cannot be directly measured. De-biasing techniques and proxies are needed to overcome these challenges. In this presentation, we discuss several recent improvements to the derivation of the meteoroid velocity, directionality, and bulk density distributions. We derive our speed distribution from observations made by the Canadian Meteor Orbit Radar. These observations are de-biased using modern descriptions of the ionization efficiency and sharpened to remove the effects of measurement uncertainty, and the result is a meteoroid speed distribution that is skewed slower than in previous analyses. We also adopt a higher fidelity density distribution than that used by many older models. In our distribution, meteoroids with T(sub J) less than 2 are assigned to a low-density population, while those with T(sub J) greater than 2 have higher densities. This division and the distributions themselves are derived from the densities reported by Kikwaya et al. (2009, 2011). These changes have implications for the environment. For instance, helion and antihelion meteors have lower speeds and higher densities than apex and toroidal meteors. A slower speed distribution therefore corresponds to a sporadic environment that is more completely dominated by the helion and antihelion sources than in previous models. Finally, assigning these meteors high densities further increases their significance from a spacecraft damage perspective.

Moorhead, A. V.↗
NASA NTRSDate not supplied

Spaceborne Passive-Microwave Hail Detection: Global Climatologies, Validation, and Challenges Going Forward

In addition to the myriad threats that severe hailstorms pose to society, infrastructure and agriculture, severe hail is difficult to measure in situ, and surface-based hail reporting and detection methods are inconsistent and vulnerable to nonmeteorological biases. This motivates the use of spaceborne remote-sensing platforms to retrieve hail and construct climatologies in a globally uniform way. We have developed a hail detection algorithm that leverages the sensitivity of spaceborne passive-microwave radiometers to scattering by hail, particularly in the channels from 10 to 89 GHz. We use this retrieval to construct global passive-microwave climatologies of severe hail using the Tropical Rainfall Measuring Mission (TRMM) Microwave Imager (TMI), Global Precipitation Measurement Mission (GPM) Microwave Imager, Advanced Microwave Scanning Radiometer for EOS (AMSR-E), and Advanced Microwave Scanning Radiometer 2 (AMSR2) sensors and are working to extend into the pre-TRMM era to the Special Sensor Microwave Imager/Sounder (SSMI/(S)) data. Using coincident Global Precipitation Measurement (GPM) Ku-band precipitation radar, we assessed this retrieval and several others in the literature for their effectiveness and regional variability. We find that this retrieval, which leverages a signature in the Minimum 19-GHz polarization corrected temperature (PCT) combined with the 37-GHz PCT depression normalized by tropopause height constrains the radar reflectivity most tightly, and gives the least appearance of regional biases compared to other passive-microwave approaches in the literature. Satellite platforms offer consistent observations, even in remote, data-sparse, and oceanic regions that ground-based networks exclude. There are, however, potential disconnects between the processes identified aloft by the satellite and the resultant weather at the ground, leading to uncertainties in the retrievals that may propagate into satellite-based climatologies, particularly in the Tropics, where there are abundant strong - but not necessarily hailing - storms that are strongly represented in the current satellite climatologies. We will discuss ongoing efforts to assess and mitigate the contributing factors to these uncertainties, chiefly among them the effects of non-uniform beam filling in the passive-microwave footprint, and the relationships between the size distributions of hailstones aloft and the dynamic processes and environments with which they interact throughout their trajectories.

Sarah D. Bang↗
NASA NTRS1994

A Comparison of Density Functional Theory with Ab initio Approaches for Systems Involving First Transition Row Metals

Density functional theory (DFT) is found to give a better description of the geometries and vibrational frequencies of FeL and FeL(sup +) systems than second order Moller Plesset perturbation theory (MP2). Namely, the DFT correctly predicts the shift in the CO vibrational frequency between free CO and the Sigma(sup -) state of FeCO and yields a good result for the Fe-C distance in the quartet states of FeCH4(+) 4 These are properties where the MP2 results are unsatisfactory. Thus DFT appears to be an excellent approach for optimizing the geometries and computing the zero-point energies of systems containing first transition row atoms. Because the DFT approach is biased in favor of the 3d(exp 7) occupation, whereas the more traditional approaches are biased in favor of the 3d(exp 6) occupation, differences are found in the relative ordering of states. It is shown that if the dissociation is computed to the most appropriate atomic asymptote and corrected to the ground state asymptote using the experimental separations, the DFT results are in good agreement with high levels of theory. The energetics at the DFT level are much superior to the MP2 and in most cases in good agreement with high levels of theory.

Ricca, Alessandra↗