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The computation of C-C and N-N bond dissociation energies for singly, doubly, and triply bonded systems

The bond dissociation energies (De) of C2H2, C2H4, C2H6, N2, N2H2, and N2H4 are studied at various levels of correlation treatment. The convergence of De with respect to the one-particle basis is studied at the single-reference modified coupled-pair-functional (MCPF)level. At all levels of correlation treatment, the errors in the bond dissociation energies increase with the degree of multiple bond character. The multireference configuration-interaction (MRCI) De values, corrected for an estimate of higher excitations, are in excellent agreement with those determined using the size-extensive averaged-coupled-pair-functional (ACPF) method. The full-valence complete-active-space self-consistent-field (CASSCF)/MRCI calculations are reproduced very well by MRCI calculations based on a CASSCF calculation that includes in the active space only those electrons involved in the C-C or N-N bonds.

Langhoff, Stephen R.

The computation of C-C and N-N bond dissociation energies for singly, doubly, and triply bonded systems

The bond dissociation energies (D sub e) of C2H2, C2H4, C2H6, N2, N2H2, and N2H4 are studied at various levels of correlation treatment. The convergence of D sub e with respect to the one particle basis is studied at the single reference modified coupled-pair functional (MCPF) level. At all levels of correlation treatment, the errors in the bond dissociation energies increase with the degree of multiple bond character. The multireference configuration interaction (MRCI) D sub e values, corrected for an estimate of higher excitations, are in excellent agreement with those determined using the size extensive averaged coupled pair functional (ACPF) method. It was found that the full valence complete active space self consistent field (CASSCF)/MRCI calculations are reproduced very well by MRCI calculations based on a CASSCF calculation that includes in the active space only those electrons involved in the C-C or N-N bonds. To achieve chemical accuracy (1 kcal/mole) for the D sub e values of the doubly bonded species C2H4 and N2H2 requires one particle basis sets including up through h angular momentum functions (l = 5) and a multireference treatment of electron correlation: still higher levels of calculation are required to achieve chemical accuracy for the triply bonded species C2H2 and N2.

Langhoff, Stephen R.

Processing techniques for software based SAR processors

Software SAR processing techniques defined to treat Shuttle Imaging Radar-B (SIR-B) data are reviewed. The algorithms are devised for the data processing procedure selection, SAR correlation function implementation, multiple array processors utilization, cornerturning, variable reference length azimuth processing, and range migration handling. The Interim Digital Processor (IDP) originally implemented for handling Seasat SAR data has been adapted for the SIR-B, and offers a resolution of 100 km using a processing procedure based on the Fast Fourier Transformation fast correlation approach. Peculiarities of the Seasat SAR data processing requirements are reviewed, along with modifications introduced for the SIR-B. An Advanced Digital SAR Processor (ADSP) is under development for use with the SIR-B in the 1986 time frame as an upgrade for the IDP, which will be in service in 1984-5.

Leung, K.

Comparison of Different Measurement Technologies for the In-Flight Assessment of Radiated Acoustic Intensity

A series of tests was planned and conducted in the Interior Noise Test Facility at Boeing Field, on the NASA Aries 757 flight research aircraft, and in the Structural Acoustic Loads and Transmission Facility at NASA Langley Research Center. These tests were designed to answer several questions concerning the use of array methods in flight. One focus of the tests was determining whether and to what extent array methods could be used to identify the effects of an acoustical treatment applied to a limited portion of an aircraft fuselage. Another focus of the tests was to verify that the arrays could be used to localize and quantify a known source purposely placed in front of the arrays. Thus the issues related to backside sources and flanking paths present in the complicated sound field were addressed during these tests. These issues were addressed through the use of reference transducers, both accelerometers mounted to the fuselage and microphones in the cabin, that were used to correlate the pressure holograms. measured by the microphone arrays using either SVD methods or partial coherence methods. This correlation analysis accepts only energy that is coherent with the sources sensed by the reference transducers, allowing a noise control engineer to only identify and study those vibratory sources of interest. The remainder of this paper will present a detailed description of the test setups that were used in this test sequence and typical results of the NAH/IBEM analysis used to reconstruct the sound fields. Also, a comparison of data obtained in the laboratory environments and during flights of the 757 aircraft will be made.

Klos, Jacob

Computational Ghost Imaging for Remote Sensing

This work relates to the generic problem of remote active imaging; that is, a source illuminates a target of interest and a receiver collects the scattered light off the target to obtain an image. Conventional imaging systems consist of an imaging lens and a high-resolution detector array [e.g., a CCD (charge coupled device) array] to register the image. However, conventional imaging systems for remote sensing require high-quality optics and need to support large detector arrays and associated electronics. This results in suboptimal size, weight, and power consumption. Computational ghost imaging (CGI) is a computational alternative to this traditional imaging concept that has a very simple receiver structure. In CGI, the transmitter illuminates the target with a modulated light source. A single-pixel (bucket) detector collects the scattered light. Then, via computation (i.e., postprocessing), the receiver can reconstruct the image using the knowledge of the modulation that was projected onto the target by the transmitter. This way, one can construct a very simple receiver that, in principle, requires no lens to image a target. Ghost imaging is a transverse imaging modality that has been receiving much attention owing to a rich interconnection of novel physical characteristics and novel signal processing algorithms suitable for active computational imaging. The original ghost imaging experiments consisted of two correlated optical beams traversing distinct paths and impinging on two spatially-separated photodetectors: one beam interacts with the target and then illuminates on a single-pixel (bucket) detector that provides no spatial resolution, whereas the other beam traverses an independent path and impinges on a high-resolution camera without any interaction with the target. The term ghost imaging was coined soon after the initial experiments were reported, to emphasize the fact that by cross-correlating two photocurrents, one generates an image of the target. In CGI, the measurement obtained from the reference arm (with the high-resolution detector) is replaced by a computational derivation of the measurement-plane intensity profile of the reference-arm beam. The algorithms applied to computational ghost imaging have diversified beyond simple correlation measurements, and now include modern reconstruction algorithms based on compressive sensing.

Erkmen, Baris I.

A note on correlation description

The paper suggests some modifications to definitions of correlation functions made by Freeman and Bennett (1974) specifically for comparing measured quantities with those predicted by rotor theories, with reference to rotorcraft flight simulation. Special attention is paid to the quality of correlation, determined by a quality factor relating the measured and computed entities. Correlation criteria (mean load and rotor performance, overall amplitude and phase, harmonic altitude and harmonic phase) are examined, along with phase angle correlation criteria (harmonic phase defined by sine-cosine relation and harmonic phase defined by a first positive peak rotor azimuth position)

Mccloud, J. L., III

Mixed Cu-simple metal dimers and trimers - CuLi, CuLi2, CuNa, CuK, CuBe, CuBe2, Cu2Be, CuAl, and CuAl2

Theoretical studies of selected diatomic and triatomic molecules containing copper and the simple metals Li, Na, K, Be, and Al are presented, with emphasis on elucidating the nature of the bonding in mixed transition metal-simple metal systems. Large Gaussian basis sets are used in the diatomic calculations, and are used to calibrate the triatomic calculations, in which somewhat smaller Gaussian basis sets are employed. Electron correlation is incorporated using both the single-reference singles plus doubles configuration interaction and coupled pair functional methods. It is found that alkali atoms form very polar sigma bonds with copper, and that the ionicity increases with the inclusion of higher excitations because they improve the electron affinity of copper, which in turn allows a larger negative charge on copper. Aluminum is found to form stronger bonds than beryllium, since it does not have to undergo sp hybridization. Some of the trimers bond by forming three-center three-electron bonds. These multicenter bonds are quite strong even when compared to the two-electron bonds in the dimers or to other bonding mechanisms in the trimers.

Bauschlicher, Charles W., Jr.

Integrated Aeroservoelastic Optimization: Status and Direction

The interactions of lightweight flexible airframe structures, steady and unsteady aerodynamics, and wide-bandwidth active controls on modern airplanes lead to considerable multidisciplinary design challenges. More than 25 years of mathematical and numerical methods' development, numerous basic research studies, simulations and wind-tunnel tests of simple models, wind-tunnel tests of complex models of real airplanes, as well as flight tests of actively controlled airplanes, have all contributed to the accumulation of a substantial body of knowledge in the area of aeroservoelasticity. A number of analysis codes, with the capabilities to model real airplane systems under the assumptions of linearity, have been developed. Many tests have been conducted, and results were correlated with analytical predictions. A selective sample of references covering aeroservoelastic testing programs from the 1960s to the early 1980s, as well as more recent wind-tunnel test programs of real or realistic configurations, are included in the References section of this paper. An examination of references 20-29 will reveal that in the course of development (or later modification), of almost every modern airplane with a high authority active control system, there arose a need to face aeroservoelastic problems and aeroservoelastic design challenges.

Livne, Eli

Rb-Sr and Sm-Nd Isotopic Studies of Shergottite Y980459 and a Petrogenetic Link Between Depleted Shergottites and Nakhlites

Y980459 was found near the Minami-Yamato Nunataks, Antarctica in 1998 and was recently classified as an olivine-bearing shergottite. It petrographically resembles many other olivine-phyric shergottites mostly found in hot deserts, e.g. DaG476/489, SaU005/094, Dohfar 019, NWA 1068/1110, NWA 1195 and EETA 79001 lith.A. However, Y980459 is unique among these meteorites in several respects. It is apparently very fresh and only weakly shocked. Also, it completely lacks plagioclase, but contains abundant residual volcanic glass. This group of olivine-phyric shergottites is characterized by variable crystallization ages from approx.172 Ma to approx.575 Ma and ejection ages from approx.1 Ma to approx.20 Ma. They probably represent volcanic melts originated from the deep Martian mantle. We performed Rb-Sr and Sm-Nd isotopic analyses on Y980459 to determine its crystallization age and compared its age and isotopic signatures with those obtained from other olivine-phyric shergottites and QUE 94201, the other Antarctic olivine-free shergottite. QUE 94201 and some olivine-phyric shergottites e.g. DaG, SaU, Doh and EETA lith A have similar depleted-LREE patterns and are herein referred to as depleted shergottites. A petrogenetic model correlating depleted shergottites and nakhlites is also proposed. Preliminary Rb-Sr and Sm-Nd isotopic data for Y980459 were presented earlier at the NIPR, Japan, in 2003.

Shih, C.-Y.

Real-time three-dimensional color Doppler echocardiography for characterizing the spatial velocity distribution and quantifying the peak flow rate in the left ventricular outflow tract

Quantification of flow with pulsed-wave Doppler assumes a "flat" velocity profile in the left ventricular outflow tract (LVOT), which observation refutes. Recent development of real-time, three-dimensional (3-D) color Doppler allows one to obtain an entire cross-sectional velocity distribution of the LVOT, which is not possible using conventional 2-D echo. In an animal experiment, the cross-sectional color Doppler images of the LVOT at peak systole were derived and digitally transferred to a computer to visualize and quantify spatial velocity distributions and peak flow rates. Markedly skewed profiles, with higher velocities toward the septum, were consistently observed. Reference peak flow rates by electromagnetic flow meter correlated well with 3-D peak flow rates (r = 0.94), but with an anticipated underestimation. Real-time 3-D color Doppler echocardiography was capable of determining cross-sectional velocity distributions and peak flow rates, demonstrating the utility of this new method for better understanding and quantifying blood flow phenomena.

NASA Discipline Cardiopulmonary

Optical air data systems and methods

A method for remotely sensing air outside a moving aircraft includes generating laser radiation within a swept frequency range. A portion of the laser radiation is projected from the aircraft into the air to induce scattered laser radiation. Filtered scattered laser radiation, filtered laser radiation, and unfiltered laser radiation are detected. At least one actual ratio is determined from data corresponding to the filtered scattered laser radiation and the unfiltered laser radiation. One or more air parameters are determined by correlating the actual ratio to at least one reference ratio.

Caldwell, Loren M.

Optical air data systems and methods

A method for remotely sensing air outside a moving aircraft includes generating laser radiation within a swept frequency range. A portion of the laser radiation is projected from the aircraft into the air to induce scattered laser radiation. Filtered scattered laser radiation, filtered laser radiation, and unfiltered laser radiation are detected. At least one actual ratio is determined from data corresponding to the filtered scattered laser radiation and the unfiltered laser radiation. One or more air parameters are determined by correlating the actual ratio to at least one reference ratio.

Caldwell, Loren M.

Optical air data systems and methods

A method for remotely sensing air outside a moving aircraft includes generating laser radiation within a swept frequency range. A portion of the laser radiation is projected from the aircraft into the air to induce scattered laser radiation. Filtered scattered laser radiation, filtered laser radiation, and unfiltered laser radiation are detected. At least one actual ratio is determined from data corresponding to the filtered scattered laser radiation and the unfiltered laser radiation. One or more air parameters are determined by correlating the actual ratio to at least one reference ratio.

Caldwell, Loren M.

Comparison of Flight Simulators Based on Human Motion Perception Metrics

In flight simulation, motion filters are used to transform aircraft motion into simulator motion. When looking for the best match between visual and inertial amplitude in a simulator, researchers have found that there is a range of inertial amplitudes, rather than a single inertial value, that is perceived by subjects as optimal. This zone, hereafter referred to as the optimal zone, seems to correlate to the perceptual coherence zones measured in flight simulators. However, no studies were found in which these two zones were compared. This study investigates the relation between the optimal and the coherence zone measurements within and between different simulators. Results show that for the sway axis, the optimal zone lies within the lower part of the coherence zone. In addition, it was found that, whereas the width of the coherence zone depends on the visual amplitude and frequency, the width of the optimal zone remains constant.

Valente Pais, Ana R.

Improving Surface Soil Moisture Estimates in West Africa Through GRACE Data Assimilation

Recent annual trends of precipitation and terrestrial water storage (TWS) in West Africa have been increasing over the past decade. Despite a significant impact of soil moisture on the TWS in West Africa, there is little research on the recent spatial and temporal behaviors of surface soil moisture (SSM) along with the hydrological trends and variability in West Africa. In this study, we assimilate TWS estimates from the Gravity Recovery and Climate Experiment (GRACE) mission into the Catchment Land Surface Model (CLSM) and evaluate its impacts on SSM simulations for the years, 2002–2017. The evaluation is performed using reference datasets: the African Monsoon Multidisciplinary Analysis (AMMA) in situ soil moisture observations, three currently available microwave satellite SSM observations from the Advanced Scatterometer (ASCAT), the Soil Moisture Ocean Salinity (SMOS), and the Soil Moisture Active Passive (SMAP) satellites and also the triple collocation analysis (TCA). Overall, modeled SSM shows good agreement with the reference datasets in terms of the anomaly SSM correlations. However, both modeled and ASCAT SSM are limited in their representation of the drying rates, as observed by ground observations, SMOS and SMAP estimates. Further, GRACE data assimilation results in improved SSM simulations in the humid regions with large annual TWS variability. This study demonstrates the utility of land data assimilation to inform hydrological conditions in West Africa, where soil moisture monitoring is necessary for water resource and livestock management.

West Africa

Impact of Aircraft Emissions on Reactive Nitrogen over the North Atlantic Flight Corridor Region

The impact of aircraft emissions on reactive nitrogen in the upper troposphere (UT) and lowermost stratosphere (LS) was estimated using the NO(y)-O3 correlation obtained during the SASS Ozone and NO(x) Experiment (SONEX) carried out over the US continent and North Atlantic Flight Corridor (NAFC) region in October and November 1997. To evaluate the large scale impact, we made a reference NO(y)-O3 relationship in air masses, upon which aircraft emissions were considered to have little impact. For this purpose, the integrated input of NO(x) from aircraft into an air mass along a 10-d back trajectory (DELTA-NO(y)) was calculated based on the ANCAT/EC2 emission inventory. The excess NO(y) (dNO(y)) was calculated from the observed NO(y) and the reference NO(y)-O3 relationship. As a result, a weak positive correlation was found between the dNO(y) and DELTA-NO(y), and dNO(y) and NO(x)/NO(y) values, while no positive correlation between the dNO(y) and CO values was found, suggesting that dNO(y) values can be used as a measure of the NO(x) input from aircraft emissions. The excess NO(y) values calculated from another NO(y)-O3 reference relationship made using in-situ CN data also agreed with these dNO(y) values, within the uncertainties. At the NAFC region (45 N - 60 N), the median value of dNO(y) in the troposphere increased with altitude above 9 km and reached 70 pptv (20% of NO(y)) at 11 km. The excess NO(x) was estimated to be about half of the dNO(y) values, corresponding to 30% of the observed NO(x) level. Higher dNO(y) values were generally found in air masses where O3 = 75 - 125 ppbv, suggesting a more pronounced effect around the tropopause. The median value of dNO(y) in the stratosphere at the NAFC region at 8.5 - 11.5 km was about 120 pptv. The higher dNO(y) values in the LS were probably due to the accumulated effect of aircraft emissions, given the long residence time of affected air in the LS. Similar dNO(y) values were also obtained in air masses sampled over the US continent.

Koike, M.

Providing hydrogen maser timing stability to orbiting VLBI radio telescope observations by post-measurement compensation of linked frequency standard imperfections

Orbiting VLBI (OVLBI) astronomical observations are based upon measurements acquired simultaneously from ground-based and earth-orbiting radio telescopes. By the mid-1990s, two orbiting VLBI observatories, Russia's Radioastron and Japan's VSOP, will augment the worldwide VLBI network, providing baselines to earth radio telescopes as large as 80,000 km. The challenge for OVLBI is to effectuate space to ground radio telescope data cross-correlation (the observation) to a level of integrity currently achieved between ground radio telescopes. VLBI radio telescopes require ultrastable frequency and timing references in order that long term observations may be made without serious cross-correlation loss due to frequency source drift and phase noise. For this reason, such instruments make use of hydrogen maser frequency standards. Unfortunately, space-qualified hydrogen maser oscillators are currently not available for use on OVLBI satellites. Thus, the necessary long-term stability needed by the orbiting radio telescope may only be obtained by microwave uplinking a ground-based hydrogen maser derived frequency to the satellite. Although the idea of uplinking the frequency standard intrinsically seems simple, there are many 'contaminations' which degrade both the long and short term stability of the transmitted reference. Factors which corrupt frequency and timing accuracy include additive radio and electronic circuit thermal noise, slow or systematic phase migration due to changes of electronic circuit temporal operating conditions (especially temperature), ionosphere and troposphere induced scintillations, residual Doppler-incited components, and microwave signal multipath propagation. What is important, though, is to realize that ultimate stability does not have to be achieved in real-time. Instead, information needed to produce a high degree of coherence in the subsequent cross-correlation operation may be derived from a two-way coherent radio link, recorded and later introduced as compensations adjunct to the VLBI correlation process. Accordingly, this paper examines the technique for stable frequency/time transfer within the OVLBI system, together with a critique of the types of link degradation components which must be compensated, and the figures of merit known as coherence factors.

Springett, James C.

On the Relationship Between Global Land-Ocean Temperature and Various Descriptors of Solar-Geomagnetic Activity and Climate

Examined are sunspot cycle- (SC-) length averages of the annual January-December values of the Global Land-Ocean Temperature Index ( ) in relation to SC-length averages of annual values of various descriptors of solar-geomagnetic activity and climate, incorporating lags of 0-5 yr. For the overall interval SC12-SC23, the is inferred to correlate best against the parameter incorporating lag = 5 yr, where the parameter refers to the resultant aa value having removed that portion of the annual aa average value due to the yearly variation of sunspot number (SSN). The inferred correlation between the and is statistically important at confidence level cl > 99.9%, having a coefficient of linear correlation r = 0.865 and standard error of estimate se = 0.149 degC. Excluding the most recent cycles SC22 and SC23, the inferred correlation is stronger, having r = 0.969 and se = 0.048 degC. With respect to the overall trend in the , which has been upwards towards warmer temperatures since SC12 (1878-1888), solar-geomagnetic activity parameters are now trending downwards (since SC19). For SC20-SC23, in contrast, comparison of the against SC-length averages of the annual value of the Mauna Loa carbon dioxide ( ) index is found to be highly statistically important (cl >> 99.9%), having r = 0.9994 and se = 0.012 degC for lag = 2 yr. On the basis of the inferred preferential linear correlation between the and , the current ongoing SC24 is inferred to have warmer than was seen in SC23 (i.e., >0.526 degC), probably in excess of 0.68 degC (relative to the 1951-1980 base period).

Wilson, Robert M.