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At least 559 records · Page 31

Full CI benchmark calculations for several states of the same symmetry

Full CI (FCI) wave functions are used to compute energies for several electronic states of the same symmetry for SiH2, CH2, and CH2(+). It is found that CASSCF/multireference CI wave functions yield results very similar to FCI, irrespective of whether the CASSCF MOs are optimized independently for each state or using an average of the CASSCF energies for all desired states. The ionization potentials and excitation energies obtained from the FCI calculations should help calibrate methods (such as Green's function approaches, equations of motion and propagator methods, and cluster expansions) in which energy differences are computed directly.

Bauschlicher, Charles W., Jr.↗

A self-consistent interpretation of the solar flare extreme-ultraviolet to hard X-ray ratio in large events

This paper shows quantitatively that when a limiting X-ray yield is considered, a universal area of 10 to the 17th sq cm used in the thick-target electron bombardment model of McClymont and Canfield (1986) cannot explain the observed hard X-ray flux in large solar flare events without recourse to extreme values of the physical parameters of the flaring corona. The return current ohmic heating produced by a beam of flux 10 to the 13th ergs/sq cm/s results in a coronal temperature in excess of 100 million K. In this case, the thermal hard X-ray emission dominates the nonthermal emission and the EUV-to-hard X-ray ratio would not decrease with increasing hard X-ray flux, as observed. Hence, any model that requires a beam flux of 10 to the 13th ergs/sq cm/s is untenable. It is proposed that these apparently contradictory results can be reconciled if the X-ray emitting area is substantially larger than the area of the chromospheric precipitation site.

Larosa, T. N.↗

C2 Fragmentation Energy of C60 Revisited: Theory Disagrees with Most Experiments

Following our earlier work on the subject, we have carried out density functional theory (DFT) and second-order Moller-Plesset perturbation theory (MP2) calculations of the dissociation energy of the reaction C60 yields C58 + C2 using polarized basis sets and geometries optimized with DFT methods. The present theoretical results support an electronic fragmentation energy D(sub e) around 10-11 eV in disagreement with most experimental results that place the dissociation energy D(sub o) (including zero point energy) around 7-8 eV. The plausible errors remaining in the theoretical calculations are unlikely to account for this big difference (2-4 eV).

Boese, A. Daniel↗

Gridded Hourly Text Products: A TRMM Data Reduction Approach

The quantity of precipitation data from satellite-based observations is a blessing and a curse. The sheer volume of the data makes it difficult for many researchers to use in targeted applications. This volume increases further as algorithm improvements lead to the reprocessing of mission data. In addition to the overall volume of data, the size and format complexity of orbital granules contribute to the difficulty in using all the available data. Finally, the number of different instruments available to measure rainfall and related parameters further contributes to the volume concerns. In summary, we have an embarrassment of riches. The science team of the Tropical Rainfall Measuring Mission (TRMM) recognized this dilemma and has developed a strategy to address it. The TRMM Science Data and Information System (TSDIS) produces, at the direction of the Joint TRMM Science Team, a number of instantaneous rainfall products. The TRMM Microwave Imager (TMI), the Precipitation Radar and a Combined TMI/PR are the key "instruments" used in this production. Each of these products contains an entire orbit of data. The algorithm code computes not just rain rates but a large number of other physical parameters as well as information needed for monitoring algorithm performance. That makes these products very large. For example, a single orbit of TMI rain rate product is 99 MB, a single orbit of the combined product yields a granule that is 158 MB, while the 80 vertical levels of rain information from the PR yields an orbital product of 253 MB. These are large products that are often difficult for science users to electronically transfer to their sites especially if they want a large period of time. Level 3 gridded products are much smaller, but their 5 or 30 day temporal resolution is insufficient for many researchers. In addition, TRMM standard products are produced in the HDF format. While a large number of user-friendly tools are available to hide the details of the format (including a toolkit developed at TSDIS for the TRMM science team), many potential users shy away

Stocker, Erich↗

SIM PlanetQuest: Science with the Space Interferometry Mission

SIM - the Space Interferometry Mission - will perform precision optical astrometry on objects as faint as R magnitude 20. It will be the first space-based astrometric interferometer, operating in the optical band with a 10-m baseline. The Project is managed by the Jet Propulsion Laboratory, California Institute of Technology, in close collaboration with two industry partners, Lockheed Martin Missiles and Space, and TRW Inc., Space and Electronics Group. Launch of SIM is currently planned for 2009. In its wide-angle astrometric mode, SIM will yield 4 microarcsecond absolute position and parallax measurements. Astrometric planet searches will be done in a narrow-angle mode, with an accuracy of 4 microarcseconds or better in a single measurement. As a pointed rather than a survey instrument, SIM will maintain.its astrometric accuracy down to the faintest, magnitudes, opening up the opportunity for astrometry of active galactic nuclei to better than 10 pas. SIM will define a new astrometric reference frame, using a grid of approximately 1500 stars with positions accurate to 4 microarcseconds. The SIM Science Team comprises the Principal Investigators of ten Key Projects, and five Mission Scientists contributing their expertise to specific areas of the mission. Their science programs cover a wide range of topics in Galactic and extragalactic astronomy. They include: searches for low-mass planets - including analogs to our own solar system - tlie formation and dynamics of our Galaxy, calibration of the cosmic distance scale, and fundamental stellar astrophysics. All of the science observing on SIM is competitively awarded; the Science Team programs total about 40% of the total available, and the remainder will be assigned via future NASA competitions. This report is a compilation of science summaries by members of the Science Team, and it illustrates the wealth of scientific problems that microarcsecond-precision astrometry can contribute to. More information on SIM, including copies of this report, may be obtained from the project web site, at http://sim. jpl.nasa.gov.

Unwin, Stephen↗

Computation of electron density in high altitude re-entry flows

The direct simulation Monte Carlo (DSMC) method has been modified to deal with the very small degree of ionization that occurs in the early stages of the 'communications blackout' phase of re-entry. The simplified model of the process assumes that the ionization is entirely a consequence of the reaction N + O yields NO(+) + e-. The measurements from the RAM C-II test vehicle at an altitude of 81 km have been chosen as the test case. It was found that the form of the electron distribution along the shock layer was in agreement with the measurements. That normal to the surface was also in agreement with the measurements if the surface is regarded as fully catalytic. However, quantitative agreement for the fully catalytic case requires a reaction rate about an order of magnitude greater than those generally associated with this reaction.

Bird, G. A.↗

Oscillator strengths and collision strengths for some ions of oxygen and sulphur

Collision strengths for electron impact excitation of the O II, O III, S II and S III for some transitions in the ultraviolet of the type ns(sup 2) np(sup q) yields ns np(sup q +1), ns(sup 2) np(sup q) yields ns(sup 2) np(sup q-1) (n+1)s and 3s2 3p(sup q) yields 352 3p(sup q -1) 3d are calculated in a close coupling approximation for an energy rate up to one million K. Configuration interaction target wave functions which give oscillator strengths accurate to 10% for O II and O III, and 20-30% for S II and S III, are used in the expansion. Accurate knowledge of the electron impact excitation cross sections is particularly significant for a proper interpretation of the combined ultraviolet observations of the Voyager UVS and IUE results on properties of the Io plasma torus.

Ho, Y. K.↗

Crossed beam study of the reaction O/+/ + N2 yields NO/+/ + N

The kinematics of the reaction O(+)(4 S) + N2 yields NO(+) + N were studied using crossed molecular beams. Product angular and energy distributions were measured for the initial relative translational energy range from 1.5 to 15.8 eV. The products are formed in their ground electronic states. The product distributions are described, with some deviations, by the spectator stripping model. No evidence was found for a persistent complex or for a second mechanism. A scattering chamber study of 0 deg lab was made of the related reactions 15N(+) + 14NO yields 15N14N(+), 15NO(+), 14NO(+). The results obtained are discussed in terms of possible surface hopping effects.

Smith, G. P. K.↗

Photoionization and Recombination

Theoretically self-consistent calculations for photoionization and (e + ion) recombination are described. The same eigenfunction expansion for the ion is employed in coupled channel calculations for both processes, thus ensuring consistency between cross sections and rates. The theoretical treatment of (e + ion) recombination subsumes both the non-resonant recombination ("radiative recombination"), and the resonant recombination ("di-electronic recombination") processes in a unified scheme. In addition to the total, unified recombination rates, level-specific recombination rates and photoionization cross sections are obtained for a large number of atomic levels. Both relativistic Breit-Pauli, and non-relativistic LS coupling, calculations are carried out in the close coupling approximation using the R-matrix method. Although the calculations are computationally intensive, they yield nearly all photoionization and recombination parameters needed for astrophysical photoionization models with higher precision than hitherto possible, estimated at about 10-20% from comparison with experimentally available data (including experimentally derived DR rates). Results are electronically available for over 40 atoms and ions. Photoionization and recombination of He-, and Li-like C and Fe are described for X-ray modeling. The unified method yields total and complete (e+ion) recombination rate coefficients, that can not otherwise be obtained theoretically or experimentally.

Nahar, Sultana N.↗

Amplitude variations of whistler-mode signals caused by their interaction with energetic electrons of the magnetosphere

Whistler mode waves that propagate through the magnetosphere exchange energy with energetic electrons by wave-particle interaction mechanisms. Using linear theory, a detailed investigation is presented of the resulting amplitude variations of the wave as it propagates. Arbitrary wave frequency and direction of propagation are considered. A general class of electron distributions that are nonseparable in particle energy and pitch-angle is proposed. It is found that the proposed distribution model is consistent with available whistler and particle observations. This model yields insignificant amplitude variation over a large frequency band, a feature commonly observed in whistler data. This feature implies a certain equilibrium between waves and particles in the magnetosphere over a wide spread of particle energy, and is relevant to plasma injection experiments and to monitoring the distribution of energetic electrons in the magnetosphere.

Bernard, L. C.↗

The 2011 Outburst of Recurrent Nova T Pyx: X-Ray Observations Expose the White Dwarf Mass and Ejection Dynamics

The recurrent nova T Pyx underwent its sixth historical outburst in 2011, and became the subject of an intensive multi-wavelength observational campaign.We analyze data from the Swift and Suzaku satellites to produce a detailed X-ray light curve augmented by epochs of spectral information. X-ray observations yield mostly non-detections in the first four months of outburst, but both a super-soft and hard X-ray component rise rapidly after Day 115. The super-soft X-ray component, attributable to the photosphere of the nuclear-burning white dwarf, is relatively cool (approximately 45 electron volts) and implies that the white dwarf in T Pyx is significantly below the Chandrasekhar mass (approximately 1 M). The late turn-on time of the super-soft component yields a large nova ejecta mass (approximately greater than 10(exp −5) solar mass), consistent with estimates at other wavelengths. The hard X-ray component is well fit by a approximately 1 kiloelectron volt thermal plasma, and is attributed to shocks internal to the 2011 nova ejecta. The presence of a strong oxygen line in this thermal plasma on Day 194 requires a significantly super-solar abundance of oxygen and implies that the ejecta are polluted by white dwarf material. The X-ray light curve can be explained by a dual-phase ejection, with a significant delay between the first and second ejection phases, and the second ejection finally released two months after outburst. A delayed ejection is consistent with optical and radio observations of T Pyx, but the physical mechanism producing such a delay remains a mystery.

nova T Pyx↗

Evidence for a continuous, power law, electron density irregularity spectrum

The spectral form of the irregularities in electron density that cause interplanetary scintillation (IPS) of small angular diameter radio sources is discussed. The intensity scintillation technique always yields an irregularity scale size, which is of the order of the first Fresnel zone for the wavelength at which the observations are taken. This includes not only the radio wavelength measurements of the structure of the interplanetary medium, but also radio wavelength measurements of the irregularity structure of the ionosphere and interstellar medium, and optical wavelength measurements of the irregularity structure of the atmosphere.

Cronyn, W. M.↗

Design model for the baffle aperture region of a hollow cathode thruster

A current balance on the main discharge chamber of an electron bombardment thruster is carried out. It is shown that the discharge current is the sum of the net cathode emission current, the beam current, and the ion current to cathode potential surfaces. Measurements of ion currents outside the virtual anode surface in a SERT II divergent magnetic field thruster show that relatively few ions cross this surface. This implies that ions are directed preferentially toward the anode and cathode pole pieces. A simple theoretical model useful as an aid in the design of the baffle aperture region of a hollow cathode equipped thruster is developed. The electron diffusion process through the aperture is modeled in accordance with the Bohm diffusion theory. The model is shown to yield consistent results for a given thruster geometry over substantial changes in operating conditions. The model's design usefulness is limited by a factor of two uncertainty observed over different thruster/cathode region geometries and by the accuracy to which the plasma parameters required as inputs to the model can be specified.

Brophy, J. R.↗

Radiation effects on polymeric materials

It is important to study changes in properties of polymeres after irradiation with charged particles, with ultraviolet radiation, and with combinations of both. An apparatus for this purpose has been built at the NASA Langley Research Center. It consists of a chamber 9 inches in diameter and 9 inches high with a port for an electron gun, another port for a mass spectrometer, and a quartz window through which an ultraviolet lamp can be focused. The chamber, including the electron gun and the mass spectrometer, can be evacuated to a pressure of 10 to the 8th power torr. A sample placed in the chamber can be irradiated with electrons and ultraviolet radiation separately, sequentially, or simultaneously, while volatile products can be monitored during all irradiations with the mass spectrometer. The apparatus described above has been used to study three different polymer films: lexan; a polycarbonate; P1700, a polysulfone; and mylar, a polyethylene terephthalate. All three polymers had been studied extensively with both electrons and ultraviolet radiation separately, but not simultaneously. Also, volatile products had not been monitored during irradiation for the materials. A high electron dose rate of 530 Mrads/hr was used so that a sufficient concentration of volatile products would be formed to yield a reasonable mass spectrum.

Kiefer, Richard L.↗

Design of a reconfigurable modular manipulator system

Using manipulators with a fixed configuration for specific tasks is appropriate when the task requirements are known beforehand. However, in less predictable situations, such as an outdoor construction site or aboard a space station, a manipulator system requires a wide range of capabilities, probably beyond the limitations of a single, fixed-configuration manipulator. To fulfill this need, researchers have been working on a Reconfigurable Modular Manipulator System (RMMS). Researchers have designed and are constructing a prototype RMMS. The prototype currently consists of two joint modules and four link modules. The joints utilize a conventional harmonic drive and torque motor actuator, with a small servo amplifier included in the assembly. A brushless resolver is used to sense the joint position and velocity. For coupling the modules together, a standard electrical connector and V-band clamps for mechanical connection are used, although more sophisticated designs are under way for future versions. The joint design yields an output torque to 50 ft-lbf at joint speeds up to 1 radian/second. The resolver and associated electronics have resolutions of 0.0001 radians, and absolute accuracies of plus or minus 0.001 radians. Manipulators configured from these prototype modules will have maximum reaches in the 0.5 to 2 meter range. The real-time RMMS controller consists of a Motorola 68020 single-board computer which will perform real time servo control and path planning of the manipulator. This single board computer communicates via shared memory with a SUN3 workstation, which serves as a software development system and robot programming environment. Researchers have designed a bus communication network to provide multiplexed communication between the joint modules and the computer controller. The bus supports identification of modules, sensing of joint states, and commands to the joint actuator. This network has sufficient bandwidth to allow servo sampling rates in excess of 500 Hz.

Schmitz, D.↗

Numerical quasi-linear study of the critical ionization velocity phenomenon

The critical ionization velocity (CIV) for a neutral barium (Ba) gas cloud moving across the static magnetic field is studied numerically using quasi-linear equations and a parameter range which is typical for the shaped-charge Ba gas release experiments in space. For consistency the charge exchange between the background oxygen ions and neutral atoms and its reverse process, as well as the excitation of the neutral Ba atoms, are included. The numerical results indicate that when the ionization rate due to CIV becomes comparable to the charge exchange rate the energy lost to the ionization and excitation collisions by the superthermal electrons exceeds the energy gain from the waves that are excited by the ion beam. This results in a CIV yield less than the yield by the charge exchange process.

Moghaddam-Taaheri, E.↗

Closed-Form Evaluation of Mutual Coupling in a Planar Array of Circular Apertures

The integral expression for the mutual admittance between circular apertures in a planar array is evaluated in closed form. Very good accuracy is realized when compared with values that were obtained by numerical integration. Utilization of this closed-form expression, for all element pairs that are separated by more than one element spacing, yields extremely accurate results and significantly reduces the computation time that is required to analyze the performance of a large electronically scanning antenna array.

Bailey, M. C.↗

A Comparison of Space and Ground Based Facility Environmental Effects for FEP Teflon

Fluorinated Ethylene Propylene (FEP) Teflon is widely used as a thermal control material for spacecraft, however, it is susceptible to erosion, cracking, and subsequent mechanical failure in low Earth orbit. One of the difficulties in determining whether FEP Teflon will survive during a mission is the wide disparity of erosion rates observed for this material in space and in ground based facilities. Each environment contains different levels of atomic oxygen, ions, and vacuum ultraviolet (VUV) radiation in addition to parameters such as the energy of the arriving species and temperature. These variations make it difficult to determine what is causing the observed differences in erosion rates. This paper attempts to narrow down which factors affect the erosion rate of FEP Teflon through attempting to change only one environmental constituent at a time. This was attempted through the use of a single simulation facility (plasma asher) environment with a variety of Faraday cages and VUV transparent windows. Isolating one factor inside of a radio frequency (RF) plasma proved to be very difficult. Two observations could be made. First, it appears that the erosion yield of FEP Teflon with respect to that of polyimide Kapton is not greatly affected by the presence or lack of VUV radiation present in the RF plasma and the relative erosion yield for the FEP Teflon may decrease with increasing fluence. Second, shielding from charged particles appears to lower the relative erosion yield of the FEP to approximately that observed in space, however it is difficult to determine for sure whether ions, electrons, or some other components are causing the enhanced erosion.

Rutledge, Sharon K.↗