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At least 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
NASA NTRS2012

Temperature Sensing Above 1000 C Using Cr-Doped GdAlO3 Spin-Allowed Broadband Luminescence

Cr-doped GdAlO3 (Cr:GdAlO3) is shown to produce remarkably high-intensity spin-allowed broadband luminescence with sufficiently long decay times to make effective luminescence-decay-time based temperature measurements above 1000 C. This phosphor is therefore an attractive alternative to the much lower luminescence intensity rare-earth-doped thermographic phosphors that are typically utilized at these elevated temperatures. In particular, Cr:GdAlO3 will be preferred over rare-earth-doped phosphors, such as Dy:YAG, at temperatures up to 1200 C for intensity-starved situations when the much lower emission intensity from rare-earth-doped phosphors is insufficient for accurate temperature measurements in the presence of significant radiation background. While transition-metal-doped phosphors such as Cr:Al2O3 (ruby) are known to exhibit high luminescence intensity at low dopant concentrations, quenching due to nonradiative decay pathways competing with the (sup 2)E to (sup 4)A(sub 2) radiative transition (R line) has typically restricted their use for temperature sensing to below 600 C. Thermal quenching of the broadband (sup 4)T(sub 2) to (sup 4)A(sub 2) radiative transition from Cr:GdAlO3, however, is delayed until much higher temperatures (above 1000 C). This spin-allowed broadband emission persists to high temperatures because the lower-lying (sup 2)E energy level acts as a reservoir to thermally populate the higher shorter-lived (sup 4)T(sub 2) energy level and because the activation energy for nonradiative crossover relaxation from the (sup 4)T(sub 2) level to the (sup 4)A(sub 2) ground state is high. The strong crystal field associated with the tight bonding of the AlO6 octahedra in the GdAlO3 perovskite structure is responsible for this behavior.

Eldridge, Jeffrey I.↗
DOE OSTI2025

Stability, electronic quantum states, and magnetic interactions of Er 3+ ions in Ga 2 ⁢O 3

Here, we report an ab initio study of phase stability, defect formation, electronic structure, and multiple magnetic, Dzyaloshinskii-Moriya, optical, hyperfine, and crystal field interactions in erbium (Er)-doped wide band gap 𝛼- and 𝛽-gallium oxides (Ga 2 ⁢O 3 ), critically important to make a foundation for both optoelectronic and quantum information applications. The chemical, structural, mechanical, and dynamical stabilities of the pristine phases are confirmed from respective negative formation energies, negative cohesive energies, favorable elastic constants, and positive phonon frequencies. The phonon dispersions indicate that the Ga-O bonds are uniform in the 𝛼-phase, while they vary in the 𝛽-phase due to the anisotropic polyhedral movement. The defect formation energy analysis confirms that both Er-doped 𝛼- and 𝛽−Ga 2 ⁢O 3 prefer Er 3+ (neutral) state. The underestimated band gaps of the pristine phases from standard density functional theory (DFT) calculations as compared to experimental values are corrected by employing the hybrid functional calculations, resulting in the indirect band gaps of 5.21 eV in 𝛼−Ga 2 ⁢O 3 and 4.94 eV in 𝛽−Ga 2 ⁢O 3 . The site preference energy analysis indicates partial occupation of Er in the octahedral site of Ga. The anisotropic nature of hyperfine tensor coefficients of Er is similar in both phases, which may be due to the occupation of Er in the same octahedral Ga site. On the other hand, the calculated magnetic exchange interaction between two Er dopants is negative for 𝛼 and positive for 𝛽, indicating an antiferromagnetic (AFM) ground state in the former and a ferromagnetic (FM) ground state in the latter. Large values of Dzyaloshinskii-Moriya interactions (DMIs) are obtained along the 𝑥 direction in the 𝛼 and along the 𝑦 direction in the 𝛽. The large DMI may support exotic magnetic textures, a promising direction for spintronic applications. The analysis of dielectric constants and refractive indices of both pristine and Er-doped phases shows a good agreement with available experimental values. The calculated optical anisotropy is slightly higher in 𝛽 than those in 𝛼, which is due to the involvement of lower symmetry in 𝛽. The crystal field coefficients (CFCs) calculated from DFT are used to analyze 4⁢𝑓 multiplets and 4⁢𝑓 −4⁢𝑓 transitions. Thus calculated lowest energy level of the first excited state to the lowest energy level of the ground state is about 1.53 µ⁢m, which is in a good agreement with available experiments, and it falls within the quantum telecommunication wavelength range.

3-dimensional systems↗
NASA NTRS1984

High time resolution studies of upstream ions

The influence of phi, the angle between the interplanetary magnetic field and the earth-sun vector on ions and electrons in the earth's bow shock, was investigated in terms of ISEE 2 data. A small phi was associated with intermediate energy upstream ions and reduced populations of low energy, about 1.6 keV, ion fluxes. The magnitude of phi was closely related to particular, constant energy levels, e.g., a phi of 40 deg and an energy of 30 keV and a phi of 75 deg and an energy of 6 keV. Ion fluxes are high in the angles form 60-80 deg and feature energies of 55-280 keV. The acceleration process up to the high energy levels in the 1-3 min interval from upstream to downstream occurs more rapidly than could be accounted for by a first-order Fermi process.

Anderson, K. A.↗
NASA NTRS2004

Eta Carinae and the 2003.5 Minimum: Ultraviolet Changes of the Central Source and the Very Nearby Ejecta

We utilized the high spatial and high spectral resolution of the HST/STIS MAMA echelle modes in the ultraviolet (0.025 sec spatial resolution and 30,000 to 120,000 spectral resolving power) to view changes in and around Eta Carinae before and after the X-Ray drop which occurred on June 29, 2003. Major changes in the spectra of the Central Source and nearby nebulosities occurred between June 22 and July 5. Visibility of the Central Source dropped, especially between 1175 and 1350 A, but not uniformly through the UV. This fading is likely due to multiple line absorptions both in the source and in the intervening ejecta. Nebular emission of Si III and Fe III, located 0.09 sec to the west, disappeared. By July 29, a bright feature extending up to 0.07 sec east of the Central Source became prominent in broad emission lines near 2500 A, but was not noticeable longward of 2900 A. ACS/HRC imagery and STIS CCD spectra taken concurrently are being examined for larger scale changes. Numerous narrow velocity components between -146 and -585 km/s were identified in spectra before the minimum. New components appeared primarily in Fe II absorption lines with velocities between -170 and -380 km/s. While the lines of the -513 km/s component did not change, most lines of the -146 km/s component changed considerably. Lines originating from high energy levels diminished or disappeared, while lines originating from lower energy levels strengthened. Strong absorption lines of Ti II, not present before the X-Ray drop, appeared within seven days, but disappeared by July 29. Further analysis of these unprecedented data will provide significant new information about the structure of Eta Carinae and its periodic variations.

Gull, T. R.↗
NASA NTRS2004

Ultraviolet Changes of the Central Source and the Very Nearby Ejecta

We utilized the high spatial and high spectral resolution of the HST/STIS MAMA echelle modes in the ultraviolet (0.025 inch spatial resolution and 30,000 to 120,000 spectral resolving power) to view changes in and around Eta Carinae before and after the X-Ray drop which occurred on June 29, 2003 (M. Corcoran, IAUC 8160). Major changes in the spectra of the Central Source and nearby nebulosities occurred between June 22 and July 5. Visibility of the Central Source dropped, especially between 1175 and 1350 Angstroms, but not uniformly throughout the ultraviolet. This fading is likely due to multiple line absorptions both in the source and in the intervening ejecta. Nebular emission of Si III] and Fe III, located 0.09 sec. to the west, disappeared. By July 29, a bright feature extending up to 0.071 sec. east of the Central Source became prominent in broad emission lines near 2500 Angstroms, but was not noticeable longward of 2900 Angstroms. ACS/HRC imagery and STIS CCD spectra taken concurrently are being examined for larger scale changes. Numerous narrow velocity components between -146 and -585 kilometers per second were identified in spectra before the minimum. New components appeared primarily in Fe II absorption lines with velocities between -170 and -380 kilometers per second. While the lines of the -513 kilometers per second component did not change, most lines of the -146 kilometers per second component changed considerably. Lines originating from high energy levels diminished or disappeared, while lines originating from lower energy levels strengthened. Strong absorption lines of Ti II, not present before the X-Ray drop, appeared within seven days, but disappeared by July 29. Further analysis of these unprecedented data will provide significant new information about the structure of Eta Carinae and its periodic variations.

Gull, Theodore R.↗
DOE OSTI2024

Photoluminescence Switching in Quantum Dots Connected with Carboxylic Acid and Thiocarboxylic Acid End-Group Diarylethene Molecules

We contrast the switching of photoluminescence (PL) of PbS quantum dots (QDs) cross-linked with photochromic diarylethene molecules with different end groups, 4,4′-(1-cyclopentene-1,2-diyl)bis[5-methyl-2-thiophenecarboxylic acid] ( 1C ) and 4,4′-(1-cyclopentene-1,2-diyl)bis[5-methyl-2-thiophenethiocarboxylic acid] ( 2T ). Our results show that the QDs cross-linked with the carboxylic acid end group molecules ( 1C ) exhibit a greater amount of switching in photoluminescence intensity compared to QDs cross-linked with the thiocarboxylic acid end group ( 2T ). We also demonstrate that regardless of the molecule used, greater switching amounts are observed for smaller quantum dots. Varying these parameters allows for the fabrication of photoswitches with tunable PL change. We relate these observations to the differences in the HOMO energy levels between the QDs and the photochromic molecules. Our findings demonstrate how the size of the QDs and the energy levels of the linker ligands influences the charge tunneling rate and thus the PL switching performance in tunneling-based photoswitches.

36 MATERIALS SCIENCE↗
NASA NTRS2016

Computing Highly Accurate Spectroscopic Line Lists for Characterization of Planetary Atmospheres: CO2 and SO2 Line Lists Needed for Modeling Venus

Over the last decade, it has become apparent that the most effective approach for determining highly accurate rotational and rovibrational line lists for molecules of interest in planetary atmospheres and other astrophysical environments is through a combination of highresolution laboratory experiments coupled with state-of-the art ab initio quantum chemistry methods. The approach involves computing the most accurate potential energy surface (PES) possible using state-of-the art electronic structure methods, followed by computing rotational and rovibrational energy levels using an exact variational method to solve the nuclear Schrödinger equation. Then, reliable experimental data from high-resolution experiments is used to refine the ab initio PES in order to improve the accuracy of the computed energy levels and transition energies. From the refinement step, we have been able to achieve an accuracy of approximately 0.015 cm-1 for rovibrational transition energies, and even better for purely rotational transitions. This combined "experiment / theory" approach allows for determination of essentially a complete line list, with hundreds of millions of transitions, and having the transition energies and intensities be highly accurate. Our group has successfully applied this approach to determine highly accurate line lists for NH3, CO2 and isotopologues, and SO2 and isotopologues. Here I will report our latest results for CO2 and SO2 including all isotopologues. Comparisons to the available data in HITRAN2012 and other available databases will be shown, though we note that our line lists for SO2 are significantly more complete than any other databases. Since it is important to span a large temperature range in order to model the spectral signature of Venus as well as exoplanets, we will demonstrate how the spectra change on going from low temperatures (100 K) to higher temperatures (500 K to 1500 K).

potential energy surface (PES)5405 PLANETARY SCIEN↗
NASA NTRS1989

First detection of the O-18 isotope of methanol

Interstellar CH3(O-18)H has been detected using NASA's 70-m antenna at Tidbinbilla. The 2(0)-3(-1) transition at 11.6 GHz was detected in absorption at two positions in the direction of Sgr B2. The profile shapes were similar to those for the corresponding transitions of CH3OH and (C-13)H3OH, containing velocity components centered near 64 and 80 km/s. Abundance ratios were derived using the simplest assumptions. The O-16/O-18 ratio was 210 + or - 40; the value would be larger after correction for radiation trapping but still well below the terrestrial value of 489. The (C-13)H3OH/CH3(O-18)H ratio was 7.5 + or - 1.0, above the value (5.5) derived from terrestrial C-12/C-12 and O-16/O-18 ratios, but close to the isotope abundance ratio (9.0) determined from formaldehyde observations. In view of the complexity of the methanol energy-level diagram, the similarity suggests that excitation of the lowest energy levels is largely collisional.

Gardner, F. F.↗
NASA NTRS1987

Kinetic model for the vibrational energy exchange in flowing molecular gas mixtures

The present study is concerned with the development of a computational model for the description of the vibrational energy exchange in flowing gas mixtures, taking into account a given number of energy levels for each vibrational degree of freedom. It is possible to select an arbitrary number of energy levels. The presented model uses values in the range from 10 to approximately 40. The distribution of energy with respect to these levels can differ from the equilibrium distribution. The kinetic model developed can be employed for arbitrary gaseous mixtures with an arbitrary number of vibrational degrees of freedom for each type of gas. The application of the model to CO2-H2ON2-O2-He mixtures is discussed. The obtained relations can be utilized in a study of the suitability of radiation-related transitional processes, involving the CO2 molecule, for laser applications. It is found that the computational results provided by the model agree very well with experimental data obtained for a CO2 laser. Possibilities for the activation of a 16-micron and 14-micron laser are considered.

Offenhaeuser, F.↗
NASA NTRS1993

Floquet operator as integral of motion

Nonstationary quantum systems have no energy levels. However, for time-dependent periodical quantum systems, the notion of quasi-energy levels has been introduced. The main point of the quasi-energy concept is to relate quasi-energies to eigenvalues of the Floquet operator or monodromy operators which is equal to the evolution operator of a quantum system taken at the moment coinciding with the period of the system. The purpose of this article is to relate the Floquet operator to integrals of the motion and to introduce a new operator which is the integral of motion and has the same quasi-energy spectrum that the Floquet operator has. We wish to discuss an explicit formula for this new integral of motion.

Manko, V. I.↗
DOE OSTI2025

Advancing quantum simulations of the nuclear shell model with Gray-code–based resource-efficient protocols

Background: Some of the computational limitations in solving the nuclear many-body problem could be overcome by utilizing quantum computers. The nuclear shell-model calculations providing deeper insights into the properties of atomic nuclei are one such case with high demand for resources, as the size of the Hilbert space grows exponentially with the number of particles involved. Quantum algorithms are being developed to overcome these challenges and advance such calculations. Purpose: To develop quantum circuits for the nuclear shell-model, leveraging the capabilities of noisy intermediate-scale quantum (NISQ) devices. Here, we aim to minimize resource requirements (specifically in terms of qubits and gates) and strive to reduce the impact of noise by employing relevant mitigation techniques. Methods: We achieve noise resilience by designing an optimized Ansatz for the variational quantum eigensolver (VQE) based on Givens rotations and incorporating qubit-ADAPT-VQE in combination with variational quantum deflation (VQD) to compute ground and excited states, incorporating the zero-noise extrapolation mitigation technique. Furthermore, the qubit requirements are significantly reduced by mapping the basis states to qubits using Gray-code encoding and generalizing transformations of fermionic operators to efficiently represent many-body states. Results: By employing the resource-efficient protocols, we achieve the ground and excited state energy levels of 38 Ar and 6 Li with better accuracy. These energy levels are presented for noiseless simulations, noisy conditions, and after applying noise mitigation techniques. Results are compared for Jordan-Wigner and Gray-code encoding using VQE, qubit-ADAPT-VQE, and VQD. Conclusions: Our work highlights the potential of resource-efficient protocols to leverage the full potential of NISQ devices in scaling the nuclear shell model calculations, offering a pathway toward more complex quantum simulations in nuclear physics. This approach establishes a framework for studying other nuclear systems with improved quantum resource efficiency, marking a significant advancement in applying quantum computing to realistic nuclear physics applications.

Physics - Nuclear physics and radiation physics↗
NASA NTRS1979

Generalization of the Manley-Rowe relations for non-periodic signals constrained in bandwidth with finite energy

General relations for the energy spectral densities of nonperiodic signals constrained in bandwidth in nonlinear reactances are derived. It is assumed that the charge-voltage characteristics of the reactances are polynomials. In addition certain conditions for the frequency bands of the signals must be met. By contrast with the Manley-Rowe relations integrals with respect to frequency appear instead of the ratios power over frequency. The integrands are energy spectral densities divided by frequency. For parametric devices inequalities can be derived for the ratios of the energy levels in the different circuits and the limiting frequencies of the energy spectral densities. With these inequalities it is possible to determine limits for the energy levels.

Proksch, P.↗
NASA NTRS1980

'Bottleneck' calculation of ion-electron recombination coefficients for lithium-like ions

The ion-electron recombination coefficients for the lithium-like ions C IV, O VI, Ne VIII, Si XII and Ar XVI are computed by the bottleneck method of Byron et al. (1962). In this method, the minimum rate of transitions down the ladder of energy level is taken as the limiting recombination rate, and the particular energy level corresponding to the minimum transition rate is found. The partial collisional radiative recombination coefficient is obtained in terms of the equilibrium population, the rate of collisional de-excitation, the mean radiative transition probability from the bottleneck level and the total transition probability from a level above the bottleneck level to all levels below it. The full collisional-radiative recombination is then obtained by the addition of the values of the radiative recombination coefficient and the three-body recombination coefficient to the ground level. Results of the calculation are shown to be in good agreement with those of Drawin and Emard (1975) for the case of hydrogen. It is also noted that the process of dielectronic recombination, which is not accounted for here, may be significant at lower densities.

Kastner, S. O.↗
NASA NTRS1974

Evaluation of atomic constants for optical radiation, volume 2

Various atomic constant for 23 elements from helium to mercury were computed and are presented in tables. The data given for each element start with the element name, its atomic number, its ionic state, and the designation and series limit for each parent configuration. This is followed by information on the energy level, parent configuration, and designation for each term available to the program. The matrix elements subtables are ordered by the sequence numbers, which represent the initial and final levels of the transitions. Each subtable gives the following: configuration of the core or parent, designation and energy level for the reference state, effective principal quantum number, energy of the series limit, value of the matrix element for the reference state interacting with itself, and sum of all of the dipole matrix elements listed in the subtable. Dipole and quadrupole interaction data are also given.

Kylstra, C. D.↗
DOE OSTI2025

Mass-Energy Compensation Effect of 3$\alpha$ Hamiltonian

The 3α phenomenological model describes the structure of the carbon-12 nucleus as a cluster of three alpha particles. This model includes a pairwise α–α interaction and a three-body force. To fit the three-body potential, the 12 C data are used, while ensuring that the pair potential reproduces the α–α scattering data. Alternatively, the mass-energy compensation (MEC) effect can be used to simulate the effect of the three-body potential by adjusting the mass of the α particle within the effective-mass approach. We demonstrate the MEC effect for the 3α ground state by numerically solving the differential Faddeev equation, in which the α–α interaction is described by the Ali-Bodmer potential. The effective masses of α particles are evaluated for the ground and excited 0 + and bound 2 + states. Here, we demonstrate a coupling between the ground and first excited 0 + states, indicated by an anti-crossing of these energy levels in the energy–mass coordinates. A correspondence between the effective mass and a three-body potential is demonstrated. We discuss the results of the 0$^{+}_{2}$ calculations for various models of the α–α interaction.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1976

Measured opening characteristics of an electromagnetically opened diaphragm for the Langley expansion tunnel

Results from an experimental study of the opening characteristics of an electromagnetically opened, 15.24 cm diameter diaphragm are presented. This diaphragm consists of a polyester film bonded to a preformed wire and is opened by passing a current pulse (capacitor discharge) through the wire. The diaphragm separates the acceleration section of the expansion tunnel from the nozzle so that the nozzle may be at a lower pressure than the acceleration section prior to a test. Opening times and cleanness of the opened area were examined for dependence on diaphragm thickness, on wire diameter, on technique of bonding the wire to the diaphragm, and on voltage and energy level of the energy source. Time histories of the pitot pressure measured at the expansion-tunnel nozzle entrance location are presented for (1) no diaphragm, (2) a flow-opened diaphragm, and (3) an electromagnetically opened diaphragm.

Moore, J. A.↗
NASA NTRS1989

Observation of transitions in lithiumlike germanium

Transitions of the type n = 2-2, n = 2-3 and n = 3-4 in Li-like Ge(29+) have been observed in the spectrum from a laser-produced plasma. The energy levels and ionization energy of Ge(29+) were derived from the observed wavelengths. The wavelength of the 2s 2S1/2-2p 2P3/2 transition is sufficiently accurate to determine the quantum-electrodynamic contribution to the transition energy.

Behring, W. E.↗