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At least 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
NASA NTRS1999

Calculations of Polar Ozone Loss Rates

We calculate vortex-averaged ozone loss rates at 465-K potential temperature during the Aug.-Sept. time period in the southern hemisphere and Feb.-Mar. time period in the northern hemisphere. Ozone loss rates are calculated two ways. First, from the time series of measurements of 03. Second, from measurements of ClO, from which ozone loss is inferred based on our theories of Cl-catalyzed ozone destruction. Both measurement sets are from the Upper Atmosphere Research Satellite (UARS) Microwave Limb Sounder (MLS) instrument. We find good agreement between vortex-averaged ozone loss rates calculated from these methods. Our analysis provides no support for recent work suggesting that current theories of Cl-catalyzed ozone loss underestimate the observed decrease in polar ozone during the ozone "hole" period.

Dessler, A. E.↗
NASA NTRS2000

Measurements and Calculations of Microwave Radiance and Reflectivity for Storm-Associated Frozen Hydrometeors

During the TEFLUN-B (Texas-Florida under-flights for the Tropical Rainfall Measuring Mission (TRMM)) field experiment of August-September, 1998, a number of ER-2 aircraft flights with a host of microwave instruments were conducted over many convective storms, including some hurricanes, in the coastal region of Florida and Texas. These instruments include MIR (Millimeter-wave Imaging Radiometer), AMPR (Advanced Microwave Precipitation Radiometer), and EDOP (ER-2 Doppler Radar). EDOP is operated at the frequency of 9.7 GHz, while the AMPR and the MIR together give eleven channels of radiometric measurements in the frequency range of 10-340 GHz. The concurrent measurements from these instruments provide unique data sets for studying the details of the microphysics of hydrometeors. Preliminary examination of these data sets shows features that are generally well understood; i.e., radiometric measurements at frequencies <= 37 GHz mainly respond to rain, while those at frequencies >= 150 GHz, to snow and ice clouds above the freezing level. In this paper we present results of comparisons between these measurements and model calculations of brightness temperature and radar reflectivity. For simplicity the analysis is limited to the anvil region of the storms where only frozen hydrometeors are present. Various models of particle size distribution (e.g., Gunn-Marshall, Sekhon-Srivastava, and the Central Equatorial Pacific Experiment (CEPEX)) are examined in the calculations of brightness temperatures at the MIR frequencies and radar reflectivity at the EDOP frequency. Estimation of ice water path is made based on the best agreement between the measurements and calculations of brightness temperature and reflectivity. Problems associated with these analyses and measurement accuracy will be discussed.

Wang, James R.↗
NASA NTRS2001

Complex Correlation Kohn-T Method of Calculating Total and Elastic Cross Sections: Electron-Hydrogen Elastic Scattering - Part 1

We report on the first part of a study of electron-hydrogen scattering, using a method which allows for the ab initio calculation of total and elastic cross sections at higher energies. In its general form the method uses complex 'radial' correlation functions, in a (Kohn) T-matrix formalism. The titled method, abbreviated Complex Correlation Kohn T (CCKT) method, is reviewed, in the context of electron-hydrogen scattering, including the derivation of the equation for the (complex) scattering function, and the extraction of the scattering information from the latter. The calculation reported here is restricted to S-waves in the elastic region, where the correlation functions can be taken, without loss of generality, to be real. Phase shifts are calculated using Hylleraas-type correlation functions with up to 95 terms. Results are rigorous lower bounds; they are in general agreement with those of Schwartz, but they are more accurate and outside his error bounds at a couple of energies,

Bhatia, A. K.↗
NASA NTRS1998

Comparison of Conjugate Gradient Density Matrix Search and Chebyshev Expansion Methods for Avoiding Diagonalization in Large-Scale Electronic Structure Calculations

We report a comparison of two linear-scaling methods which avoid the diagonalization bottleneck of traditional electronic structure algorithms. The Chebyshev expansion method (CEM) is implemented for carbon tight-binding calculations of large systems and its memory and timing requirements compared to those of our previously implemented conjugate gradient density matrix search (CG-DMS). Benchmark calculations are carried out on icosahedral fullerenes from C60 to C8640 and the linear scaling memory and CPU requirements of the CEM demonstrated. We show that the CPU requisites of the CEM and CG-DMS are similar for calculations with comparable accuracy.

Bates, Kevin R.↗
NASA NTRS2000

Measurements and Calculations of Microwave Radiance and Reflectivity for Storm-Associated Frozen Hydrometeors

During the TEFLUN-B (Texas-Florida under-flights for TRMM) field experiment of August-September, 1998, a number of ER-2 aircraft flights with a host of microwave instruments were conducted over many convective storms, including some hurricanes, in the coastal region of Florida and Texas. These instruments include MIR (Millimeter-wave Imaging Radiometer), AMPR (Advanced Microwave Precipitation Radiometer), and EDOP (ER-2 Doppler Radar). EDOP is operated at the frequency of 9.7 GHz, while the AMPR and the MIR together give eleven channels of radiometric measurements in the frequency range of 10-340 GHz. The concurrent measurements from these instruments provide unique data sets for studying the details of the microphysics of hydrometeors. Preliminary examination of these data sets shows features that are generally well understood; i.e., radiometric measurements at frequencies less than or equal to 37 GHz mainly respond to rain, while those at frequencies greater than or equal to 150 GHz, to ice particles above the freezing level. Model calculations of brightness temperature and radar reflectivity are performed and results compared with these measurements. For simplicity the analysis is limited to the anvil region of the storms where hydrometeors are predominantly frozen. Only one ice particle size distribution is examined in the calculations of brightness temperature and radar reflectivity in this initial study. Estimation of ice water path is made based on the best agreement between the measurements and calculations of brightness temperature and reflectivity. Problems associated with these analyses and measurement accuracy will be discussed.

Wang, James R.↗
NASA NTRS1994

Ab Initio Calculations Applied to Problems in Metal Ion Chemistry

Electronic structure calculations can provide accurate spectroscopic data (such as molecular structures) vibrational frequencies, binding energies, etc.) that have been very useful in explaining trends in experimental data and in identifying incorrect experimental measurements. In addition, ab initio calculations. have given considerable insight into the many interactions that make the chemistry of transition metal systems so diverse. In this review we focus on cases where calculations and experiment have been used to solve interesting chemical problems involving metal ions. The examples include cases where theory was used to differentiate between disparate experimental values and cases where theory was used to explain unexpected experimental results.

Bauschlicher, Charles W., Jr.↗
NASA NTRS1994

Electron Correlation in 4-Component Relativistic Calculations

The full 4-component Dirac-Coulomb equation can nowadays be used in molecular calculations, The first step in solving this relativistic many-electron equation usually consists of solving the closed or open-shell Diarc-Fock equations. Like in non-relativistic calculations the outcome does not account for the effects of electron correlation. This can in principle be remedied by developing relativistic variants of electron correlation methods like Configuration Interaction or Coupled Cluster. In this talk the differences and similarities of such relativistic approaches as compared to non-relativistic methods will be reviewed. Results of Configuration Interaction calculations on the PtH molecule and on the MeF(sub 6, sup 2-) (Me= Co, Rh, Ir) complexes will be presented to give an impression of the kind of results that currently can be obtained.

Visscher, Luuk↗
NASA NTRS1997

Comparison of Oxygen Gauche Effects in Poly(Oxyethylene) and Poly(ethylene terephtylene) Based on Quantum Chemistry Calculations

The so-called oxygen gauche effect in poly(oxyethylene) (POE) and its model molecules such as 1,2-dimethoxyethane (DME) and diglyme (CH3OC2H4OC2H4OCH3) is manifested in the preference for gauche C-C bond conformations over trans. This has also been observed for poly(ethylene terephthalate) (PET). Our previous quantum chemistry calculations demonstrated that the large C-C gauche population in DME is due, in part, to a low-lying tg +/- g+ conformer that exhibits a substantial 1,5 CH ... O attraction. New calculations will be described that demonstrate the accuracy of the original quantum chemistry calculations. In addition, an extension of this work to model molecules for PET will be presented. It is seen that the C-C gauche preference is much stronger in 1,2 diacetoxyethane than in DME. In addition, there exist low-lying tg +/- g+/- and g+/-g+/-g+/- conformers that exhibit 1,5 CH ... O attractions involving the carbonyl oxygens. It is expected that the -O-C-C-O- torsional properties will be quite different in these two polymers. The quantum chemistry results are used to parameterize rotational isomeric states models (RIS) and force fields for molecular dynamics simulations of these polymers.

Jaffe, Richard↗
NASA NTRS1997

Direct Aerosol Radiative Forcing: Calculations and Measurements from the Tropospheric

Radiative forcing is defined as the change in the net (downwelling minus upwelling) radiative flux at a given level in the atmosphere. This net flux is the radiative power density available to drive climatic processes in the earth-atmosphere system below that level. Recent research shows that radiative forcing by aerosol particles is a major source of uncertainty in climate predictions. To reduce those uncertainties, TARFOX was designed to determine direct (cloud-free) radiative forcing by the aerosols in one of the world's major industrial pollution plumes--that flowing from the east coast of the US over the Atlantic Ocean. TARFOX measured a variety of aerosol radiative effects (including direct forcing) while simultaneously measuring the chemical, physical, and optical properties of the aerosol particles causing those effects. The resulting data sets permit a wide variety of tests of the consistency, or closure, among the measurements and the models that link them. Because climate predictions use the same or similar model components, closure tests help to assess and reduce prediction uncertainties. In this work we use the TARFOX-determined aerosol, gas, and surface properties to compute radiative forcing for a variety of aerosol episodes, with inadvisable optical depths ranging from 0.07 to 0.6. We calculate forcing by several techniques with varying degrees of sophistication, in part to test the range of applicability of simplified techniques--which are often the only ones feasible in climate predictions by general circulation models (GCMs). We then compare computed forcing to that determined from: (1) Upwelling and downwelling fluxes (0.3-0.7 mm and 0.7-3.0 mm) measured by radiometers on the UK MRF C-130. and (2) Daily average cloud-free absorbed solar and emitted thermal radiative flux at the top of the atmosphere derived from the AVHRR radiometer on the NOAA- 14 satellite. The calculations and measurements all yield aerosol direct radiative forcing in the range -50 to -190 W sq m per unit inadvisable optical depth. The magnitudes are about 15 to 100 times larger than the global-average direct forcing expected for the global-average sulfate aerosol optical depth of 0.04. The reasons for the larger forcing in TARFOX include the relatively large optical depths and the focus on cloud-free, daytime conditions over the dark ocean surface. These are the conditions that produce the actual major radiative forcing events that contribute to any global-average climate effect. Detailed comparisons of calculated and measured forcings for specific events are used for more refined tests of closure.

Russell, P. B.↗
NASA NTRS2002

Calculation of the Coulomb Fission Cross Sections for Pb-Pb and Bi-Pb Interactions at 158 A GeV

The Weizsacker-Williams (WW) method of virtual quanta is used to make approximate cross section calculations for peripheral relativistic heavy-ion collisions. We calculated the Coulomb fission cross sections for projectile ions of Pb-208 and Bi-209 with energies of 158 A GeV interacting with a Pb-208 target. We also calculated the electromagnetic absorption cross section for Pb-208 ion interacting as described. For comparison we use both the full WW method and a standard approximate WW method. The approximate WW method in larger cross sections compared to the more accurate full WW method.

Poyser, William J.↗
NASA NTRS2002

CCKT Calculation of e-H Total Cross Sections

We are in the process of carrying out calculations of e-H total cross sections using the 'complex-correlation Kohn-T' (CCKT) method. In a later paper, we described the methodology more completely, but confined calculations to the elastic scattering region, with definitive, precision results for S-wave phase shifts. Here we extend the calculations to the (low) continuum (1 much less than k(exp 2) much less than 3) using a Green's function formulation. This avoids having to solve integro-differential equations; rather we evaluate indefinite integrals involving appropriate Green's functions and the (complex) optical potential to find the scattering function u(r). From the asymptotic form of u(r) we extract a T(sub L) which is a complex number. From T(sub L), elastic sigma(sub L)(elastic) = 4pi(2L+1)((absolute value of T(sub L))(exp 2)), and total sigma (sub L)(total) = 4pi/k(2L+1)Im(T(sub L)) cross sections follow.

Bhatia, Aaron K.↗
NASA NTRS2003

Sensor Based Engine Life Calculation: A Probabilistic Perspective

It is generally known that an engine component will accumulate damage (life usage) during its lifetime of use in a harsh operating environment. The commonly used cycle count for engine component usage monitoring has an inherent range of uncertainty which can be overly costly or potentially less safe from an operational standpoint. With the advance of computer technology, engine operation modeling, and the understanding of damage accumulation physics, it is possible (and desirable) to use the available sensor information to make a more accurate assessment of engine component usage. This paper describes a probabilistic approach to quantify the effects of engine operating parameter uncertainties on the thermomechanical fatigue (TMF) life of a selected engine part. A closed-loop engine simulation with a TMF life model is used to calculate the life consumption of different mission cycles. A Monte Carlo simulation approach is used to generate the statistical life usage profile for different operating assumptions. The probabilities of failure of different operating conditions are compared to illustrate the importance of the engine component life calculation using sensor information. The results of this study clearly show that a sensor-based life cycle calculation can greatly reduce the risk of component failure as well as extend on-wing component life by avoiding unnecessary maintenance actions.

Guo, Ten-Huei↗
NASA NTRS2002

Wind Tunnel Measurements and Calculations of Aerodynamic Interactions Between Tiltrotor Aircraft

Wind tunnel measurements and calculations of the aerodynamic interactions between two tiltrotor aircraft in helicopter mode are presented. The measured results include the roll moment and thrust change on the downwind aircraft, as a function of the upwind aircraft position (longitudinal, lateral, and vertical). Magnitudes and locations of the largest interactions are identified. The calculated interactions generally match the measurements, with discrepancies attributed to the unsteadiness of the wake and aerodynamic forces on the airframe. To interpret the interactions in terms of control and power changes on the aircraft, additional calculations are presented for trimmed aircraft with gimballed rotors.

Johnson, Wayne↗
NASA NTRS2004

Calculated Drag of an Aerial Refueling Assembly Through Airplane Performance Analysis

The aerodynamic drag of an aerial refueling assembly was calculated during the Automated Aerial Refueling project at the NASA Dryden Flight Research Center. An F/A-18A airplane was specially instrumented to obtain accurate fuel flow measurements and to determine engine thrust. A standard Navy air refueling store with a retractable refueling hose and paradrogue was mounted to the centerline pylon of the F/A-18A airplane. As the paradrogue assembly was deployed and stowed, changes in the calculated thrust of the airplane occurred and were equated to changes in vehicle drag. These drag changes were attributable to the drag of the paradrogue assembly. The drag of the paradrogue assembly was determined to range from 200 to 450 lbf at airspeeds from 170 to 250 KIAS. Analysis of the drag data resulted in a single drag coefficient of 0.0056 for the paradrogue assembly that adequately matched the calculated drag for all flight conditions. The drag relief provided to the tanker airplane when a receiver airplane engaged the paradrogue is also documented from 35 to 270 lbf at the various flight conditions tested. The results support the development of accurate aerodynamic models to be used in refueling simulations and control laws for fully autonomous refueling.

Vachon, Michael Jacob↗
NASA NTRS1960

Applications of a General Finite-Difference Method for Calculating Bending Deformations of Solid Plates

This paper reports the findings of an investigation of a finite - difference method directly applicable to calculating static or simple harmonic flexures of solid plates and potentially useful in other problems of structural analysis. The method, which was proposed in doctoral thesis by John C. Houbolt, is based on linear theory and incorporates the principle of minimum potential energy. Full realization of its advantages requires use of high-speed computing equipment. After a review of Houbolt's method, results of some applications are presented and discussed. The applications consisted of calculations of the natural modes and frequencies of several uniform-thickness cantilever plates and, as a special case of interest, calculations of the modes and frequencies of the uniform free-free beam. Computed frequencies and nodal patterns for the first five or six modes of each plate are compared with existing experiments, and those for one plate are compared with another approximate theory. Beam computations are compared with exact theory. On the basis of the comparisons it is concluded that the method is accurate and general in predicting plate flexures, and additional applications are suggested. An appendix is devoted t o computing procedures which evolved in the progress of the applications and which facilitate use of the method in conjunction with high-speed computing equipment.

Walton, William C., Jr.↗
NASA NTRS1996

Microscopic optical model calculations of 4He, 12C-nucleus absorption cross sections

Calculations of absorption cross sections using a microscopic first-order optical potential for heavy-ion scattering are compared with experiments. In-medium nucleon-nucleon (NN) cross sections were used to calculate the two-body scattering amplitude. A medium-modified first-order optical potential was obtained for heavy-ion scattering using the in-medium two-body scattering amplitude. A partial wave expansion of the Lippmann-Schwinger equation in momentum space was used to calculate the absorption cross sections for various systems. The results are presented for the absorption cross sections for 4He-nucleus and 12C-nucleus scattering systems and are compared with the experimental values in the energy range 18-83A MeV. The use of the in-medium NN cross sections is found to result in significant reduction of the free space absorption cross sections in agreement with experiment.

NASA Discipline Radiation Health↗
NASA NTRS1997

Calculated hydroxyl A2 sigma --> X2 pi (0, 0) band emission rate factors applicable to atmospheric spectroscopy

A calculation of the A2 sigma --> X2 pi (0, 0) band emission rate factors and line center absorption cross sections of OH applicable to its measurement using solar resonant fluorescence in the terrestrial atmosphere is presented in this paper. The most accurate available line parameters have been used. Special consideration has been given to the solar input flux because of its highly structured Fraunhofer spectrum. The calculation for the OH atmospheric emission rate factor in the solar resonant fluorescent case is described in detail with examples and intermediate results. Results of this calculation of OH emission rate factors for individual rotational lines are on average 30% lower than the values obtained in an earlier work.

NASA Discipline Exobiology↗
NASA NTRS1992

Experimental and calculated LET distributions in the Cosmos-2044 biosatellite orbit

During the flight of the Cosmos-2044 biosatellite, joint U.S.S.R.-U.S.A. investigations of different characteristics of cosmic radiation (CR) in the near-Earth environment were carried out. The U.S. dielectric track detectors CR-39 and Soviet BYa- and BR-type nuclear photo-emulsions were used as detectors. The present work shows some results of experimental measurements of linear energy transfer (LET) spectra of CR particles obtained with the use of these detectors, which were placed both inside and outside the satellite. The LET spectra measurement with plastic detectors is composed of two parts: the measurement of galactic cosmic rays (GCR) particles, and of short-range particles. The contributions of these components to the total LET distribution at various thicknesses of the shielding were analyzed and the results of these studies are presented. Calculated LET spectra in the Cosmos-2044 orbit were compared with experimental data. On the basis of experimental and calculated values of the LET spectra, absorbed and equivalent CR doses were calculated. In the shielding range of 1-1.5 g cm-2, outside the spacecraft, the photo-emulsions yielded 10.3 mrad d-1 and 27.5 mrem d-1 (LET > or = 2 MeV cm-1) while the CR-39 yielded averages of 1.43 mrad d-1 and 13.4 mrem d-1 (LET > or = 40 MeV cm-1). Inside the spacecraft (> or = 10 g cm-2) the photo-emulsions yielded 8.9 mrad d-1 and 14.5 mrem d-1.

NASA Program Radiation Health↗