Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “excited state methods”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 253 records · Page 14

Erosion rate diagnostics in ion thrusters using laser-induced fluorescence

We have used laser-induced fluorescence (LIF) to monitor the charge-exchange ion erosion of the molybdenum accelerator electrode in ion thrusters. This real-time, nonintrusive method was implemented by operating a 30cm-diam ring-cusp thruster using xenon propellant. With the thruster operating at a total power of 5 kW, laser radiation at a wavelength of 390 nm (corresponding to a ground state atomic transition of molybdenum) was directed through the extracted ion beam adjacent to the downstream surface of the molybdenum accelerator electrode. Molybdenum atoms, sputtered from this surface as a result of charge-exchange ion erosion, were excited by the laser radiation. The intensity of the laser-induced fluorescence radiation, which is proportional to the sputter rate of the molybdenum atoms, was measured and correlated with variations in thruster operating conditions such as accelerator electrode voltage, accelerator electrode current, and test facility background pressure. We also demonstrated that the LIF technique has sufficient sensitivity and spatial resolution to evaluate accelerator electrode lifetime in ground-based test facilities.

Gaeta, C. J.↗

On the Measurement of Elemental Abundance Ratios in Inner Galaxy H II Regions

Although abundance gradients in the Milky Way Galaxy certainly exist, details remain uncertain, particularly in the inner Galaxy, where stars and H II regions in the Galactic plane are obscured optically. In this paper we revisit two previously studied, inner Galaxy H II regions: G333.6-0.2 and W43. We observed three new positions in G333.6-0.2 with the Kuiper Airborne Observatory and reobserved the central position with the Infrared Space Observatory's Long Wavelength Spectrometer in far-infrared lines of S++, N++, N+, and O++. We also added the N+ lines at 122 and 205 microns to the suite of lines measured in W43 by Simpson et al.. The measured electron densities range from approx. 40 to over 4000 per cu cm in a single HII region, indicating that abundance analyses must consider density variations, since the critical densities of the observed lines range from 40 to 9000 per cu cm. We propose a method to handle density variations and make new estimates of the S/H and N/H abundance ratios. We find that our sulfur abundance estimates for G333.6-0.2 and W43 agree with the S/H abundance ratios expected for the gradient previously reported by Simpson et al., with the S/H values revised to be smaller owing to changes in collisional excitation cross sections. The estimated N/H, S/H, and N/S ratios are the most reliable because of their small corrections for unseen ionization states (< or approx. 10%). The estimated N/S ratios for the two sources are smaller than what would be calculated from the N/H and S/H ratios in our previous paper. If all low excitation H II regions had similar changes to their N/S ratios as a result of adding measurements of N+ to previous measurements of N++, there would be no or only a very small gradient in N/S. This is interesting because nitrogen is considered to be a secondary element and sulfur is a primary element in galactic chemical evolution calculations. We compute models of the two H II regions to estimate corrections for the other unseen ionization states. We find, with large uncertainties, that oxygen does not, have a high abundance, with the result that the N/O ratio is as high (approx. 0.35) as previously reported. The reasons for the uncertainty in the ionization corrections for oxygen are both the non-uniqueness of the H II region models and the sensitivity of these models to different input atomic data and stellar atmosphere models. We discuss these predictions and conclude that only a few of the latest models adequately reproduce H II region observations, including the well-known, relatively-large observed Ne++/O++ ratios in low- and moderate-excitation H II regions.

Simpson, Janet P.↗

Optical communication with two-photon coherent states. II - Photoemissive detection and structured receiver performance

In a previous paper (1978), the authors developed a method of analyzing the performance of two-photon coherent state (TCS) systems for free-space optical communications. General theorems permitting application of classical point process results to detection and estimation of signals in arbitrary quantum states were derived. The present paper examines the general problem of photoemissive detection statistics. On the basis of the photocounting theory of Kelley and Kleiner (1964) it is shown that for arbitrary pure state illumination, the resulting photocurrent is in general a self-exciting point process. The photocount statistics for first-order coherent fields reduce to those of a special class of Markov birth processes, which the authors term single-mode birth processes. These general results are applied to the structure of TCS radiation, and it is shown that the use of TCS radiation with direct or heterodyne detection results in minimal performance increments over comparable coherent-state systems. However, significant performance advantages are offered by use of TCS radiation with homodyne detection. The abstract quantum descriptions of homodyne and heterodyne detection are derived and a synthesis procedure for obtaining quantum measurements described by arbitrary TCS is given.

Shapiro, J. H.↗

Theoretical study of the dipole moment function of OH(X2Pi)

A theoretical study of the sensitivity of the dipole moment function (DMF) of the X2Pi ground state of OH to basis-set saturation and to refinements in the correlation treatment is presented. Emphasis is placed on determining the slope of the DMF at r(e) and the r value at which the maximum occurs. Consideration is given to the effect of oxygen polarization functions up through h type, expansion of the active orbital space to include the O 3d-delta orbital, the effect of higher excitations using the averaged coupled-pair functional method, and the effect of evaluating the dipole moment as an energy derivative rather than as an expectation value. The theoretical DMFs obtained here, which should be the most accurate to date, differ markedly from an empirical DMF of Turnbull and Lowe that is based on experimentally derived intensity ratios. The theoretical DMFs agree better with a recently published DMF of Nelson et al., but suggest that this empirical DMF is also inaccurate for r greater than 2.3 a0.

Langhoff, Stephen R.↗

Project LAUNCH: Bringing Space into Math and Science Classrooms

Project LAUNCH is a K-12 teacher professional development program, which has been created in collaboration between the Whitaker Center for Science, Mathematics and Technology Education at Florida Gulf Coast University (FGCU), and the Florida Space Research Institute (FSRI). Utilizing Space as the overarching theme it is designed to improve mathematics and science teaching, using inquiry based, hands-on teaching practices, which are aligned with Florida s Sunshine State Standards. Many students are excited about space exploration and it provides a great venue to get them involved in science and mathematics. The scope of Project LAUNCH however goes beyond just providing competency in the subject area, as pedagogy is also an intricate part of the project. Participants were introduced to the Conceptual Change Model (CCM) [1] as a framework to model good teaching practices. As the CCM closely follows what scientists call the scientific process, this teaching method is also useful to actively engage institute participants ,as well as their students, in real science. Project LAUNCH specifically targets teachers in low performing, high socioeconomic schools, where the need for skilled teachers is most critical.

Fauerbach, M.↗

Terrestrial Planet Formation Constrained By Mars and the Structure of the Asteroid Belt

Reproducing the large Earth/Mars mass ratio requires a strong mass depletion in solids within the protoplanetary disc between 1 and 3 au. The Grand Tack model invokes a specific migration history of the giant planets to remove most of the mass initially beyond 1 au and to dynamically excite the asteroid belt. However, one could also invoke a steep density gradient created by inward drift and pile-up of small particles induced by gas drag, as has been proposed to explain the formation of close-in super-Earths. Here we show that the asteroid belt’s orbital excitation provides a crucial constraint against this scenario for the Solar system. We performed a series of simulations of terrestrial planet formation and asteroid belt evolution starting from discs of planetesimals and planetary embryos with various radial density gradients and including Jupiter and Saturn on nearly circular and coplanar orbits. Discs with shallow density gradients reproduce the dynamical excitation of the asteroid belt by gravitational self-stirring but form Mars analogues significantly more massive than the real planet. In contrast, a disc with a surface density gradient proportional to r(exp −5.5) reproduces the Earth/Mars mass ratio but leaves the asteroid belt in a dynamical state that is far colder than the real belt. We conclude that no disc profile can simultaneously explain the structure of the terrestrial planets and asteroid belt. The asteroid belt must have been depleted and dynamically excited by a different mechanism such as, for instance, in the Grand Tack scenario.

Numerical methods↗

Deformed Brueckner-Hartree-Fock calculation for light nuclei

For the first time the Brueckner-Hartree-Fock (BHF) method was applied to nuclei whose intrinsic structure is nonspherical. One aim was to investigate whether the energy dependent reaction matrix calculated from a realistic nucleon-nucleon interaction leads to deformations similar to, or different from, those obtained from energy independent interactions in Hartree-Fock (HF) calculations. Reaction matrix elements were calculated as a function of starting energy for the Hamada-Johnston interaction, using a Pauli operator appropriate to O-16 and a shifted oscillator spectrum for virtual excited states. Binding energies, single-particle energies, radii, and shape deformations of the intrinsic state in unrenormalized as well as renormalized BHF are discussed and compared with previous HF studies. Results are presented for C-12, O-16, and Ne-20.

Braley, R. C.↗

Diagnostics of Laser Produced Plume Under Carbon Nanotube Growth Conditions

This paper presents diagnostic data obtained from the plume of a graphite composite target during carbon nanotube production by the double-pulse laser oven method. The insitu emission spectrum (300 to 650 nm) is recorded at different locations upstream of the target and at different delay times from the lasers (IR and green). Spectral features are identified as emissions from C2 (Swan System: a (sup 3)pi(sub g) - delta (sup 3)pi(sub u) and C3 (Comet Head System: A (sup 1)pi(sub u) - chi (sup 1)sigma(sub u) (sup +). Experimental spectra are compared with computed spectra to estimate vibrational temperatures of excited state C2 in the range of 2500 to 4000 kappa The temporal evolution of the 510 nm band of C2 is monitored for two target positions in various locations which shows confinement of the plume in the inner tube and increase in plume velocity with temperature. The excitation spectra of C2 are obtained by using a dye laser to pump the (0,1) transition of the Swan System and collecting the Laser Induced Fluorescence signal from C2 These are used to obtain "ground-state" rotational and vibrational temperatures which are close to the oven temperature. Images of the plume are also collected and are compared with the spectral measurements.

Arepalli, Sivaram↗

Calculation of resonant effects in electron-impact excitation of positive ions Application to oxygen VII

The general reaction theory of Feshbach is applied to the calculation of resonant effects in near-threshold electron-positive-ion excitation. The theory divides configuration space into open- and closed-channel parts, resonance effects being described by the closed-channel part. The open-channel part is handled in a distorted-wave approximation to the set of open-channel coupled equations. Various methods are suggested for handling the closed-channel part. However, an 'attached-excited-target approximation' is used explicitly, which is further approximated by a set of uncoupled closed-channel equations. As an example, the 1 1S-2 1P excitation cross section of O VII below the 3 3S threshold is calculated. Various distorted-wave approximations are investigated and results from most of them are quite similar. Resonant effects arising from the attachment of the colliding electron with the 3 3S state are found to be small, but other close-lying n = 3 states have not yet been included.

Pindzola, M. S.↗

Electron-impact excitation of Li II in the distorted-wave approximation

The 1(1)S yields 2(3)P electron-impact-excitation cross section for Li II is calculated in the distorted-wave approximation. Two forms of the distorted-wave method are examined; in the first form both the initial and final wave functions are distorted, while in the second form only the initial wave function is distorted. In both forms a partial-wave expansion of the scattered amplitude is made, and exchange is incorporated in a consistent manner. The effects of including more than one configuration in the target-state wave function are also examined. For incident energies greater than 90 eV, distorted-wave calculations agree moderately well with recent experimental and theoretical results.

Pindzola, M. S.↗

Electron impact cross sections for the 2,2P state excitation of lithium

Electron impact excitation of the 2p 2P state of Li was studied at 10, 20, 60, 100, 150 and 200 eV. Relative differential cross sections in the angular range 3-120 deg were measured and then normalized to the absolute scale by using the optical f value. Integral and momentum transfer cross sections were obtained by extrapolating the differential cross sections to 0 deg and to 180 deg. The question of normalizing electron-metal-atom collision cross sections in general was examined and the method of normalization to optical f values in particular was investigated in detail. It has been concluded that the extrapolation of the apparent generalized oscillator strength (obtained from the measured differential cross sections) to the zero momentum transfer limit with an expression using even powers of the momentum transfer and normalization of the limit to the optical f value yields reliable absolute cross sections.

Vuskovic, L.↗

Design and development of an all-solid-state laser unit for microgravity combustion applications

The laser-induced fluorescence (LIF) technique is a sensitive and noninvasive method for imaging of flames and for monitoring of temperature and the presence of transient molecular species in flames. Our research effort has two major objectives: (1) to use LIF to study the fundamentals of microgravity combustion via spectroscopic characterization of free radicals, and (2) to design and develop an all-solid-state portable laser unit for combustion studies in a microgravity environment. Well-characterized free radicals, namely hydroxyl (OH) and methoxy (CH3O), have analytically convenient bands that can be laser-excited in the 280-298 nm spectral region with the newly discovered solid-state tunable laser, which is based on the LiCaAIF6:Ce3+(LiCAF:Ce) single crystal pumped by the quadrupled (266 nm) output of a Q-switched YAG:Nd laser. The 266 nm YAG radiation (of about 10 mJ pulse energy) was split into two beams of about equal intensity, one used for photolysis of the free radical precursor and the other used for pumping the laser crystal. Tunability of the LiCAF:Ce laser was provided by a step-motor-driven Littrow-mounted diffraction grating. Laser excitation spectra of the CH3O radical was recorded in the 291.5-296.5 nm region with 0.15 cm(exp -1) resolution. Laboratory experiments have thus successfully shown that the idea of using the LiCAF:Ce laser as a dual-purpose photolysis and excitation source can pay rich dividends and that such a laser can be the center piece of an all-solid-state portable device that can be used for routine analytical investigations of microgravity combustion phenomena.

Kamal, Mohammed M.↗

Approximate spin projection of three-component UHF wavefunctions - The states of the pentachlorocyclopentadienyl cation and the croconate dianion, C5O5/2-/

The approximate spin projection method of Amos et al. is extended to handle UHF wave functions having three significant components of differing multiplicity. An expression is given for the energy after single annihilation which differs from that of Amos and Hall. The new expression reproduces the results obtained from a previous exact calculation for which the weights and energies of the components are known. The extended approximate projection method is applied to the pi-electron UHF wave functions for the ground states of the pentachlorocyclopentadienyl cation and the croconate dianion, C5O5(2-). The results indicate a triplet ground state for the former and a singlet ground state for the latter, in agreement with experimental ESR susceptibility measurements for these molecular ions. C5C15(-) cannont be treated by restricted Hartree-Fock theory, due to its open-shell ground state. Incorrect results are obtained for the croconate dianion, if restricted Hartree-Fock theory and singly excited configuration interactions are utilized.

Phillips, D. H.↗

Rotational excitation of symmetric top molecules by collisions with atoms: Close coupling, coupled states, and effective potential calculations for NH3-He

The formalism for describing rotational excitation in collisions between symmetric top rigid rotors and spherical atoms is presented both within the accurate quantum close coupling framework and also the coupled states approximation of McGuire and Kouri and the effective potential approximation of Rabitz. Calculations are reported for thermal energy NH3-He collisions, treating NH3 as a rigid rotor and employing a uniform electron gas (Gordon-Kim) approximation for the intermolecular potential. Coupled states are found to be in nearly quantitative agreement with close coupling results while the effective potential method is found to be at least qualitatively correct. Modifications necessary to treat the inversion motion in NH3 are discussed.

Green, S.↗

Gauche Ethyl Alcohol: Laboratory Assignments and Interstellar Identification

Ethyl alcohol (ethanol) is known to possess a pair of closely spaced excited torsional substates (gauche+, gauche-) at an energy of approximately 57 K above the ground (trans) torsional substate. We report an extended analysis of some gauche - gauche+ Q-branch ((Delta)J = 0) transitions with a three-substate fixed frame axis method (FFAM) Hamiltonian. Our approach accounts for complex trans-gauche interactions for the first time. In addition, we are able to obtain intensities for perturbed rotational transitions, and to determine the trans to gauche+ separation to be 1185399.1 MHz. A complete ground state rotational-torsional partition function accounting for the previously neglected gauche substates is presented. Based on our analysis, a total of 14 U lines obtained towards Orion KL can now be assigned to gauche substates of ethanol. Analysis of these lines yields a rotational temperature of 223 K and a total (trans + gauche) column density of 7.0 x 10(exp 15)/sq cm. The column density is in reasonable agreement with the recent value of 2-3 x 10(exp 15)/sq cm based on observations of trans-ethanol by Ohishi et al., although there is some disparity in the rotational temperatures. Eight additional U lines in the literature are assigned to transitions of gauche ethanol.

Pearson, J. C.↗

On the accuracy of the 'decoupled l-dominant' approximation for atom-molecule scattering

Cross sections for rotational excitation and spectral pressure broadening of HD, HCl, CO, and HCN due to collisions with low energy He atoms have been computed within the 'decoupled l-dominant' (DLD) approximation and are compared with accurate close coupling results and also with two similar approximations, the effective potential of Rabitz and the coupled states of McGuire and Kouri. DLD predictions of state-to-state cross sections are rather good, being only slightly less accurate than coupled states results. DLD is far superior to either the coupled states or effective potential methods for pressure broadening calculations, although it may not be uniformly of the quantitative accuracy desirable for obtaining intermolecular potentials from experimental data.

Green, S.↗

Ultraviolet and Visible Emission Mechanisms in Astrophysics

The project involved the study of ultraviolet (UV) and visible emission mechanisms in astrophysical and atmospheric environments. In many situations, the emission is a direct consequence of a charge transferring collision of an ion with a neutral with capture of an electron to an excited state of the product ion. The process is also important in establishing the ionization and thermal balance of an astrophysical plasma. As little of the necessary collision data are available, the main thrust of the project was the calculation of total and state-selective charge transfer cross sections and rate coefficients for a very large number of collision systems. The data was computed using modern explicit techniques including the molecular-orbital close-coupling (MOCC), classical trajectory Monte Carlo (CTMC), and continuum distorted wave (CDW) methods. Estimates were also made in some instances using the multichannel Landau-Zener (MCLZ) and classical over-the-barrier (COB) models. Much of the data which has been computed has been formatted for inclusion in a charge transfer database on the World Wide Web (cfadc.phy.ornl.gov/astro/ps/data/). A considerable amount of data has been generated during the lifetime of the grant. Some of it has not been analyzed, but it will be as soon as possible, the data placed on our website, and papers ultimately written.

Stancil, Phillip C.↗

Feasibility of hydroxyl concentration measurements by laser-saturated fluorescence in high-pressure flames

The effect of pressure on the laser-saturated fluorescence method for measuring OH concentration in high-pressure flames is studied using calculations for the burned-gas region of a stoichiometric H2-O2 flame at 2000 K. A numerical model of the excitation dynamics of OH is developed to explore the validity of the balanced cross-rate model at higher pressures. It is shown that depopulation of the laser-coupled levels is sensitive to collisions which depopulate v-double-prime (VDP) = 0 and to rate coefficients for rotational transfer in the ground state which are smaller than those in the excited state. In particular, it is shown that the depopulation of VDP = 0, and hence the laser-coupled levels, depends on the probability of electronic quenching to vibrational levels for which VDP is greater than 0 and vibrational relaxation to VDP = 0.

Carter, Campbell D.↗