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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.

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106 records · Page 6

Full configuration-interaction benchmark calculations for AlH

Full CI and CASSCF/SOCI theoretical computations are presented for the X 1Sigma(+), A 1Pi, and C 1Sigma(+) states of AlH. The aim is to establish benchmark data to calibrate methods which describe valence-Rydberg transitions in other molecules. The results are presented in extensive tables and graphs and compared with published theoretical and experimental values, and the conditions under which CASSCF/SOCI calculations accurately reproduce the FCI results are defined.

Bauschlicher, Charles W., Jr.↗

Quantitative photoabsorption and fluorescence study of HCl in vacuum ultraviolet

The photoabsorption and fluorescence cross sections of HCl were measured in the 106-185 nm region. Sharp absorption bands appear at wavelengths shorter than 135 nm, and fluorescence occurs at several excited states. The fluorescence cross sections are generally quite small, indicating that the excited states are strongly predissociative. The molecular processes for producing the VUV and UV fluorescences are investigated, and the Rydberg characteristics of the strong absorption bands are discussed.

Nee, J. B.↗

Observation of a Rydberg series of CO in the two-electron excited region

Using synchrotron radiation as a continuum background, the absorption spectrum of CO in the 380-470 A range was taken by using a double ion chamber. A Rydberg series in the 450 A (27.5 eV) region has been observed to converge to the F 2Pi, a two-electron excited state of CO(+). The series limit determined at 28.11 eV is in excellent agreement with the vertical ionization potential of the F 2Pi state measured by the high resolution photoelectron spectroscopy. A few dissociation processes leading to the productions of atomic ions and excited atomic fragments are also discussed.

Wu, C. Y. R.↗

Accelerating the Deployment of Space-Based Quantum Sensors

The Space Science and Technology Partnership Forum (S&T Forum), comprised of an interagency team from the National Aeronautics and Space Administration, the National Reconnaissance Office, and the United States Space Force, presents findings and recommendations from a study on the state of quantum sensors for space applications, enabling component technologies, facilities, and developers across government, industry, and academia. The following five areas of quantum sensing technology (listed in alphabetical order) were identified as being of near-term interest to all three S&T Forum agencies: atomic clocks, atom interferometers, quantum magnetometers, Rydberg sensors, and single photon detectors. This paper focuses on two recommendations: 1) increased collaboration between the S&T Forum, industry, and academia on the development of enabling components for the five quantum sensing technology areas, and 2) challenges and future opportunities to take quantum sensors from the laboratory to space. Through this study, the S&T Forum found a diverse and broad community of quantum sensing developers in the United States that are leading efforts in research, testing, manufacturing, and qualification of quantum sensors and their enabling component technologies. There are common needs across quantum sensing technology areas. To address the common needs, the S&T Forum agencies are encouraged to utilize existing models and mechanisms to enable co-development of enabling component technologies and to explore new avenues for engagement with the quantum sensing community.

Grace C Ray↗

Accelerating the Deployment of Space-Based Quantum Sensors

The Space Science and Technology Partnership Forum (S&T Forum), comprised of an interagency team from the National Aeronautics and Space Administration, the National Reconnaissance Office, and the United States Space Force, presents findings and recommendations from a study on the state of quantum sensors for space applications, enabling component technologies, facilities, and developers across government, industry, and academia. The following five areas of quantum sensing technology (listed in alphabetical order) were identified as being of near-term interest to all three S&T Forum agencies: atomic clocks, atom interferometers, quantum magnetometers, Rydberg sensors, and single photon detectors. This paper focuses on two recommendations: 1) increased collaboration between the S&T Forum, industry, and academia on the development of enabling components for the five quantum sensing technology areas, and 2) challenges and future opportunities to take quantum sensors from the laboratory to space. Through this study, the S&T Forum found a diverse and broad community of quantum sensing developers in the United States that are leading efforts in research, testing, manufacturing, and qualification of quantum sensors and their enabling component technologies. There are common needs across quantum sensing technology areas. To address the common needs, the S&T Forum agencies are encouraged to utilize existing models and mechanisms to enable co-development of enabling component technologies and to explore new avenues for engagement with the quantum sensing community.

Grace C Ray↗

The Saturn spectrum in the EUV - Electron excited hydrogen

Recent laboratory observations of electron excited H2 in the EUV have brought about the realization that higher Rydberg series band systems make a significant contribution to the emission spectrum. Theoretical cross section estimates for the excitation of the D, D-prime, B-prime, and B-double-prime states agree with these results. Model calculations for particle excitation of the Saturn atmosphere, including the higher states, now show excellent agreement with Voyager auroral and dayside equatorial spectra. The model data also confirm the relative spectral response calibration of the Voyager instruments, providing a basis for accurate analysis of the excitation processes on both Jupiter and Saturn.

Shemansky, D. E.↗

Accurate Calculation of Oscillator Strengths for CI II Lines Using Non-orthogonal Wavefunctions

Non-orthogonal orbitals technique in the multiconfiguration Hartree-Fock approach is used to calculate oscillator strengths and transition probabilities for allowed and intercombination lines in Cl II. The relativistic corrections are included through the Breit-Pauli Hamiltonian. The Cl II wave functions show strong term dependence. The non-orthogonal orbitals are used to describe the term dependence of radial functions. Large sets of spectroscopic and correlation functions are chosen to describe adequately strong interactions in the 3s(sup 2)3p(sup 3)nl (sup 3)Po, (sup 1)Po and (sup 3)Do Rydberg series and to properly account for the important correlation and relaxation effects. The length and velocity forms of oscillator strength show good agreement for most transitions. The calculated radiative lifetime for the 3s3p(sup 5) (sup 3)Po state is in good agreement with experiment.

Tayal, S. S.↗

Dissociative recombination of O2(+), NO(+) and N2(+)

A new L(2) approach for the calculation of the threshold molecular capture width needed for the determination of DR cross sections was developed. The widths are calculated with Fermi's golden rule by substituting Rydberg orbitals for the free electron continuum coulomb orbital. It is shown that the calculated width converges exponentially as the effective principal quantum number of the Rydberg orbital increases. The threshold capture width is then easily obtained. Since atmospheric recombination involves very low energy electrons, the threshold capture widths are essential to the calculation of DR cross sections for the atmospheric species studied here. The approach described makes use of bound state computer codes already in use. A program that collects width matrix elements over CI wavefunctions for the initial and final states is described.

Guberman, S. L.↗

Photoionization of carbon dioxide

Investigation of the mechanism for dissociative ionization of CO2 on the basis of measurements of the yields of photoions from CO2. It is found that at photon energies immediately above the molecular ionization limit of 13.773 plus or minus 0.002 eV the photoion yield curve exhibits a number of closely spaced peaks in a pattern not resembling Rydberg series. Two fragment ions, O(+) and CO(+), are observed as products of dissociative ionization. The yield of O(+) follows a weak, oscillatory curve from the thermochemical threshold at 19.07 eV to 19.39 eV, where a sudden increase in O(+) yield is observed exactly at the onset of the state CO2(+)/C 2 Sigma g (+)/, indicating predissociation of this state of the molecular ion. The magnitude of the jump in O(+) yield at 19.39 eV suggests that this predissociation is the principal mechanism for dissociative ionization.

Mcculloh, K. E.↗

Microgravity and Charge Transfer in the Neuronal Membrane: Implications for Computational Neurobiology

Evidence from natural and artificial membranes indicates that the neural membrane is a liquid crystal. A liquid-to-gel phase transition caused by the application of superposed electromagnetic fields to the outer membrane surface releases spin-correlated electron pairs which propagate through a charge transfer complex. The propagation generates Rydberg atoms in the lipid bilayer lattice. In the present model, charge density configurations in promoted orbitals interact as cellular automata and perform computations in Hilbert space. Due to the small binding energies of promoted orbitals, their automata are highly sensitive to microgravitational perturbations. It is proposed that spacetime is classical on the Rydberg scale, but formed of contiguous moving segments, each of which displays topological equivalence. This stochasticity is reflected in randomized Riemannian tensor values. Spacetime segments interact with charge automata as components of a computational process. At the termination of the algorithm, an orbital of high probability density is embedded in a more stabilized microscopic spacetime. This state permits the opening of an ion channel and the conversion of a quantum algorithm into a macroscopic frequency code.

Wallace, Ron↗

High-Rydberg Xenon Submillimeter-Wave Detector

Proposed detector for infrared and submillimeter-wavelength radiation uses excited xenon atoms as Rydberg sensors instead of customary beams of sodium, potassium, or cesium. Chemically inert xenon easily stored in pressurized containers, whereas beams of dangerously reactive alkali metals must be generated in cumbersome, unreliable ovens. Xenon-based detector potential for infrared astronomy and for Earth-orbiter detection of terrestrial radiation sources. Xenon atoms excited to high energy states in two stages. Doubly excited atoms sensitive to photons in submillimeter wavelength range, further excited by these photons, then ionized and counted.

Chutjian, Ara↗

Lunar Basins: New Evidence from Gravity for Impact-Formed Mascons

The prominent gravity highs (mascons) associated with uncompensated mass anomalies in lunar mare basins are a dramatic expression of the present-day rigidity of the lunar lithosphere. First discovered in Lunar Orbiter tracking data, these about 350-mGal gravity highs have been redetermined from the analysis of Clementine and historical tracking. These highs coincide with topographic lows, indicating nonisostatic support. One of the rediscoveries of this analysis is the encirclement of the highs by substantial negative anomalies over topographic highs. Recent gravity fields are providing the increased resolution necessary to determine the causes of this unique mascon signature. The compensation of the basin anomalies remains controversial. The mascon highs have long been interpreted as the result of mare loading, subsequent to the decay of residual stresses resulting from the impact. Substantially more mare fill is required to produce mascon highs than has been inferred on geological grounds, and the amount of near-surface mass deficit required to produce a gravity most exceeds bounds inferred from terrestrial examples. This problem is most acute for the youngest basin, Orientale. Recent gravity fields from Lunar Prospector have suggested mascon highs associated with nonmare basins such as Mendel-Rydberg, or minimally filled basins like Humboldtianum, further calling this explanation into question. We suggest that the mascon gravity signal is produced by a combination of crustal thickness changes, manifested by central mantle uplift, outward displacement of crust, and downward flexure of the lithosphere under mare loading. The mantle uplift is superisostatic, maintained by residual stresses resulting from the process of impact cratering and modification. In particular, the process of crater collapse and mantle rebound terminates abruptly, leaving the mantle plug in a non-equilibrium state, surrounded by a ring of thickened crust. Viscous relaxation over geological timescales has erased some but not all of the signature of the impact process. Mantle uplift inferred from gravity modeling is inversely correlated with age. While the oldest basins such as South Pole Aitken are mainly compensated isotatically, the younger basins appear to have been in a state of superisostatic loading prior to mare emplacement. If this is true, this places an important constraint on the impact process at basin scales. The idea that rebound of the transient crater via acoustic fluidization may freeze substantial stresses imcomplete to this day, may be tested by examining the gravity signatures of major basins on terrestrial bodies. The moon provides the clearest resolved examples to date, but uncertainty in gravity knowledge remains problematic.

Neumann, Gregory A.↗

Independent Panel Report for Technical Assessment of NASA and External Quantum Sensing Capabilities

Sensors based on quantum mechanical properties of electromagnetic radiation and matter offer unique capabilities and performance sometimes difficult to achieve using classical approaches. This report assesses the suitability of quantum sensing for current and future NASA needs, with a specific focus on NASA’s Science Mission Directorate (SMD). Measurement and sensing needs across NASA SMD are reviewed as a driver for the possible incorporation of existing quantum sensors into the NASA portfolio and the development of next-generation quantum sensors. A range of quantum sensing modalities is then described and the current state of the art for each sensor is presented. Current research and development activities on quantum sensing within NASA are compared with the range of activities ongoing throughout the broader scientific community, both within the United States and internationally. In conclusion, there is considerable advantage to be gained by NASA from quantum sensors through the growth of internal programs and collaboration with outside entities.

Quantum Sensing↗

Cross-Government Development of Space-Based Quantum Sensors for Earth and Space Science

Quantum sensing technologies promise advantages over their traditional counterparts in terms of sensitivity and accuracy, including higher signal-to-noise ratios, better measurement resolution and sensitivity, and accuracies that can be tied to fundamental constants. As a result of the potentially promising advantages of quantum sensing technologies, the multi-agency Space Science and Technology Partnership Forum (S&T Forum), consisting of NASA, NRO, and USSF, conducted a 2023 study to identify the current state of space-based quantum sensing technology development that will enable cutting-edge Earth and space science. The findings contained within this work provide insight into quantum sensing and quantum enabling technology work across the S&T Forum to inform technology development and identify potential government, industry, and academic coordination and collaboration opportunities in quantum sensing within the Earth and space science community. The results herein focus on the collation of quantum sensing technologies, facilities, and developers captured from the participants of the study to provide a broad overview of quantum sensor development for the Earth and space science community; specifically highlighting how five particular areas of quantum sensing technology (listed in alphabetical order) are of near-term interest to all three S&T Forum agencies: atomic clocks, atom interferometers, quantum magnetometers, Rydberg sensors, and single photon detectors. The findings in this work point to the intent of the S&T Forum agencies to lean into the development of quantum sensing technology in which the three agencies have mutual near-term interest, including cross-cutting enabling component technologies. The information presented provides points of entry in terms of people, facilities, and quantum sensing technology work within the government as well as increased transparency into the five quantum sensing technology areas of mutual interest of the S&T Forum agencies to remove barriers and encourage participation and partnership with the Earth and space science community.

Quantum↗

The electron excited ultraviolet spectrum of HD : cross sections and transition probabilities

We have analyzed the high-resolution ultraviolet (UV) emission spectrum of molecular deuterium hydride (HD) excited by electron impact at 100 eV under optically thin, single-scattering experimental conditions. The high-resolution spectrum (FWHM=160 mA) spans the wavelength range from 900 to 1650 A and contains the two Rydberg series of HD: (sup 1)Sigma(sub u)(sup +)1s(sigma), np(si n=2, 3, 4) --> X(sup 1)Sigma(sub g)(sup +) and (sup 1)Pi(sub u)(sup +)1s(sigma), np(pi)(C,D,D',D'', n=2, 3, 4, 5) -->X(sup 1)Sigma(sub g)(sup +). A model spectrum of HD, based on newly calculated tra rovibrational coupling for the strongest band systems, B (sup 1)Sigma(sub u)(sup +)-X(sup 1)Sigma(sub g)(sup +),B'(sup 1)Sigma(sub g)(sup +)-X(sup 1)Sigma(sub g)(sup +),C(sup 1)Pi(sub u)-X(sup 1)Sigm sections for direct excitation at 100 eV of the B (sup 1)Sigma(sub u)(sup +), B' (sup 1)Sigma(sub u)(sup +), C(sup 1)Pi(sub u), and D(sup 1)Pi(sub u) states were derived from a model analysis of the state. The absolute cross section values for excitation to the B (sup 1)Sigma(sub u)(sup +), B' (sup 1)Sigma(sub u)(sup +), C(sup 1)Pi(sub u), and D(sup 1)Pi(sub u) states were found to be (2.57+/-0. and (0.17+/-0.04)x10(exp -17) sq cm, respectively. We have also determined the dissociative excitation cross sections at 100 eV for the emission of Ly(alpha) at 1216 A and Ly(Beta) at 1025 A lines, which are (7.98+/-1.12)x10(exp -18) and (0.40+/-0.10)x10(exp -18) sq cm, respectively. The summed excitation function of the closely spaced pair of lines, H Ly(alpha) and D Ly(Beta), resulting from excitation of HD, has been measured from the threshold to 800 eV and is analytically modeled with a semiempirical relation. The model cross sections are in good agreement with the corrected Ly(alpha) cross sections of Mohlmann et al. up to 2 keV. Based on measurements of H, D (2s) production cross section values by Mohlmann et al., the H, D (n=2) cross section is estimated to be 1.6 x 10(exp -17) sq cm at 100 eV.

molecular data↗