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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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At least 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Shape evolution of neutron-rich 106,108,110 Mo isotopes in the triaxial degree of freedom

Background: Neutron-rich nuclei with mass number between 100 and 110 attract much attention, since several kinds of shapes, such as spherical, prolate, oblate, and triaxial shapes, are predicted. In particular, for neutron-rich Mo isotopes, different models predict different magnitudes and rigidity of triaxial deformation. Previous interpretations of experimental results based solely on low-lying $2^+_2$ states are insufficient to distinguish between the rigid triaxial shape, $\gamma$ vibration, or $\gamma$-soft rotor. Purpose: The shape evolution of 106 Mo, 108 Mo, and 110 Mo is investigated through their $2^+_1$-state lifetimes, decay-branching ratios of the $2^+_2$ state, and energies of the low-lying collective excited states with $K^π = 0^+, 2^+$, and $4^+$. Method: $\beta$-delayed $\gamma$-ray spectroscopy was employed for neutron-rich Nb and Zr isotopes produced at the RIKEN RI Beam Factory to populate excited states in 106 Mo, 108 Mo, and 110 Mo. The EUroball-RIKEN Cluster Array was used for high-resolution $\gamma$-ray detection and lifetimes of the $2^+_1$ states were determined using the UK fast-timing array of LaBr 3 (Ce) detectors. Results: New $\gamma$-ray transitions and levels are reported, including newly assigned $0^+_2$ states in 108,110 Mo. Quadrupole deformations were obtained for 106,108,110 Mo from their $2^+_1$ energies and lifetimes. The $\beta$-delayed neutron-emission probabilities of 108 Nb and 110 Nb were determined by examining the $\gamma$ rays of their respective daughter decays. Conclusions: In this work, the even-odd energy staggering in the $2^+_2$ band was compared with typical patterns of the $\gamma$-vibrational band, rigid triaxial rotor, and $\gamma$-soft rotor. The very small even-odd staggering of 106 Mo, 108 Mo, and 110 Mo favors a $\gamma$-vibrational band assignment. The kinematic moment of inertia for the $2^+_2$ band showed a trend similar to the ground-state band, which is as expected for the $\gamma$-vibrational band. Beyond-mean-field calculations employing the constrained Hartree-Fock-Bogoliubov and local quasiparticle-random-phase approximation method using the SLy5 + T interaction reproduced the ground and $2^+_2$ bands in 106 Mo and 108 Mo. The collective wave functions are consistent with the interpretation of the $2^+_2$ band as the $\gamma$-vibrational band of the prolate shape. However, the staggering pattern observed in 110 Mo differs from the one suggested in the calculations which predict a $\gamma$-soft rotor. There was no experimental indication of the oblate shape or the $\gamma$-soft rotor predicted in these Mo isotopes.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1996

Spectroscopic Diagnostics and an Arc Jet Heated Air Plasma

Spectral radiation measurements were made in the range of 200 to 900 nm across a section of the plenum of an arc jet wind tunnel using a series of optical fibers. The spectra contained line radiation from Oxygen and Nitrogen atoms and molecular radiation from N2(+), N2, and NO. Abel inversion technique is used to obtain radial distribution of the spectra. The analysis yielded radial profiles of the electronic excitation, vibrational and rotational temperatures of the flow field. Spectral fitting yielded branching ratios for different vibrational and rotational bands. Relatively mild flow conditions, i.e. enthalpy and mass flow rate, were used for prolonged measurements of up to and over two hours to establish the best experimental methods of temperature determinations. Signal to noise was improved by at least an order of magnitude enabling the molecular vibrational band heads of N2(+) (first negative system), N2 (second positive system), and NO (beta, gamma, delta, and epsilon systems) to be resolved in the lower ultraviolet wavelength regions. The increased signal to noise ratio also enabled partial resolution of the rotational lines of N2(+) and N2 in certain regions of minimal overlap. Comparison of the spectra with theoretical models such as the NEQAIR2 code are presented and show potential for fitting the spectra when reliable calibration is performed for the complete wavelength range.

Mack, Larry Howard, Jr.↗
DOE OSTI2022

High-resolution infrared spectroscopy of supersonically cooled singlet carbenes: Bromomethylene (HCBr) in the CH stretch region

First high-resolution spectra of cold (~35 K) singlet bromomethylene HCBr in the CH stretching (v 1 ) region from 2770 to 2850 cm-1 are reported using near quantum shot-noise limited laser absorption methods in a slit jet supersonic discharge expansion source. Three rovibrational bands are identified at high S/N (20:1 - 40:1) and rotationally assigned to i) the CH stretch fundamental (v 1 ) band $\tilde{X}$(1,0,0) ← $\tilde{X}$ (0,0,0) and ii) vibrational hot bands ($\tilde{X}$(1,1,0) ← $\tilde{X}$(0,1,0) and $\tilde{X}$(1,0,1) ← $\tilde{X}$(0,0,1)) arising from vibrationally excited HCBr populated in the discharge with single quanta in either the H–C–Br bend (v 2 ) or C–Br stretch (v 3 ) modes. Precision rotational constants are reported for a total of six states, with an experimentally determined CH stretch vibrational frequency (2799.38 cm -1 ) in good agreement with previous low-resolution fluorescence studies. Detailed analysis of the fundamental v 1 band highlights the presence of perturbations in the $\tilde{X}$(1,0,0) level, which we tentatively attribute to arise from the nearby triplet state $\tilde{a}$(0,0,1) through spin-orbit interaction or the multiple quanta $\tilde{X}$(0,2,1) singlet state via c-type Coriolis coupling. Reduced-Doppler resolution (60 MHz) in the slit-jet IR spectrometer permits clear observation of nuclear spin hyperfine structure, with experimental line shapes well reproduced by nuclear quadrupole/spin-rotation coupling constants from microwave studies. Lastly, the a-type to b-type transition intensity ratio for the fundamental CH stretch band is notably larger than predicted by a bond-dipole model, which from high level ab initio quantum calculations (CCSD(T)/PVQZ) can be attributed to vibrationally induced “charge-sloshing” of electron density along the polar C–Br bond.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Spectral analysis and kinetic modeling of radioluminescence in air and nitrogen

Here, in this article we present a quantitative analysis of the second positive system of molecular nitrogen and the first negative system of the molecular nitrogen cation excited in the presence of ionizing radiation. Optical emission spectra of atmospheric air and nitrogen surrounding 210 Po sources were measured from 250 to 400 nm. Multi-Boltzmann and non-Boltzmann vibrational distribution spectral models were used to determine the vibrational temperature and vibrational distribution function of the emitting N 2 (C 3 Π u ) and N 2 + (B 2 Σ + u ) states. A zero-dimensional kinetic model, based on the electron energy distribution function (EEDF) and steady-state excitation and de-excitation of N 2 (X 1 Σ + g ), N 2 + (B 2 Σ + u ), N 2 + (X 2 Σ + g ), N 4 + , O 2 + , and N 2 (C 3 Π u , v), was developed for the prediction of the relative spectral intensity of both the N 2 + (B 2 Σ + u → X 2 Σ + g ) emission band and the vibrational bands of N 2 (C 3 Π u → B 3 Π g ) for comparison with the experimental data.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
NASA NTRS1981

Fourier Transform Spectrometer observations of solar carbon monoxide. I - The fundamental and first overtone bands in the quiet sun

Measurements of the 2200/cm fundamental and 4300/cm first overtone vibration-rotation band systems of solar carbon monoxide, were obtained with the Fourier Transform Spectrometer of the McMath telescope at Kitt Peak. The overtone measurements were taken at the east, north, and west heliocentric limbs, and at disk center. Observations of the strong fundamental bands were obtained at disk center and near the north limb. The low core brightness temperatures of the strongest fundamental carbon monoxide lines near the limb, reported previously by Noyes (1972) and Hall (1974), are confirmed. The possibility that thermal inhomogeneities might be responsible for the unusual behavior of the fundamental carbon dioxide lines have been examined. The somewhat discordant behavior of the fundamental lines at disk center compared with the north limb seems to favor a limb shadowing effect. The first overtone limb equivalent widths and the best-fit thermal and microvelocity models indicate a solar carbon abundance of 0.004 (on the scale with A sub H = 1) for an oxygen-to-carbon abundance ratio of 2.

Ayres, T. R.↗
NASA NTRS1987

The delta upsilon = 1 fundamental bands of carbon monoxide in late-type stars

A program was begun to develop the fundamental vibration-rotation bands of CO near 4.7 micron, as a tool to investigate the properties of late type stellar atmospheres. The strong delta v = 1 lines are sensitive probes of the thermal structure of the outer layers, which can be strongly affected by the CO, itself: cooling in the fundamental lines can depress the surface temperature to low values that are in sharp contrast with those derived from chromospheric diagnostics like Ca II K and Mg II k. Cool atmospheric models are being constructed to reproduce observed high resolution CO spectra of several late-type stars. The sensitivity is illustrated of CO LTE spectra to variations in T sub eff, log g, (Fe/H), and isotopic abundances of C and O for a grid of such models. In parallel, the assumptions of LTE line formation are tested using newly available cross sections for translational-to-vibrational energy exchange in collisions of atomic H on CO. In addition, spectra of CO and Ca II K calculated from semi-empirical UV based hot chromospheric models are used to estimate geometrical filling factors for the CO dominated and chromospheric regions on the stellar surface, in the spirit of Ayres' thermal bifurcation scenario.

Wiedemann, G.↗
DOE OSTI2022

Effect of second Si–O vibrational overtones/combinations on quantifying water in silicate and silica minerals using infrared spectroscopy, and an experimental method for its removal

Infrared spectroscopy (IR) is the most widely used analytical tool to quantify trace water in silicate and silica minerals. A prerequisite for highly accurate IR measurements of trace water is a good understanding of the effect of the second Si–O vibrational overtones/combination bands (2nd Si–O VOCBs) on the water peaks. Silicate and silica minerals can be divided as isolated (Q 0 ), paired (Q 1 ), ring (Q 2 ), chain (Q 1 or Q 2 ), sheet (Q 3 ) and framework (Q 4 ) structures according to the polymerization of their SiO 4 tetrahedral units, and the 2nd Si–O VOCBs of these different structural types attain different vibrational features which are expected to affect the water peaks to different extents. Here, we selected olivine (Q 0 ) and α-quartz (Q 4 ) as two endmember-like structural examples, performed extensive IR measurements on both pristine and heat-treated thin sections prepared for these two minerals, and explored the vibrational features of the 2nd Si–O VOCBs. In this work, we have found that the 2nd Si–O VOCBs are well separated from the water peaks in olivine, but severely overlap with the water peaks in α-quartz, confirming the different roles that the 2nd Si–O VOCBs play in quantifying trace water in silicate and silica minerals with different structural polymerizations. To remove the influence of the 2nd Si–O VOCBs (or any other species rather than water), an experimental protocol has been successfully developed, as approved by some fundamental equations and verified by the data of α-quartz in the literature. This development should lead to significant accuracy improvement in quantifying trace amounts of water in Earth and planetary materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Trends in Downwelling Longwave Radiance Over the Southern Great Plains

Downwelling longwave radiation is an important part of the surface energy budget. Spectral trends in the downwelling longwave radiance (DLR) provide insight into the radiative drivers of climate change. In this research, we process and analyze a 23-year DLR record measured by the Atmospheric Emitted Radiance Interferometer (AERI) at the U.S. Department of Energy Atmospheric Radiation Program Southern Great Plains (SGP) site. Two AERIs were deployed at SGP with an overlapping observation period of about 10 years, which allows us to examine the consistency and accuracy of the measurements and to account for discrepancies between them due to errors associated with the instruments themselves. We then analyzed the all-sky radiance trends in DLR, which are associated with the surface warming trend at SGP during this same period and also the complex changes in meteorological conditions. For instance, the observed radiance in the CO2 absorption band follows closely the near-surface air temperature variations. The significant positive radiance trends in weak absorption channels, such as in the wings of the CO 2 band and in the weak absorption channels in the H 2 O vibration-rotational band, show earlier detectability of climate change. The magnitude of the radiance trend uncertainty in the DLR record mainly results from internal climate variability rather than from measurement error, which highlights the importance of continuing the DLR spectral measurements to unambiguously detect and attribute climate change.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1974

High resolution interferometry of cool stars

A description is given of results obtained in a program of infrared high resolution spectroscopy of cool stars. The nature of infrared stellar spectra is considered along with questions regarding astrophysics and stellar infrared spectroscopy. An abundance analysis for alpha Ori (Betelgeuse) is conducted. The C-12/C-13 abundance ratio is examined and attention is given to the O-16/O-18 and O-16/O-17 abundance ratios. M stars and SiO vibration-rotation bands are discussed and questions regarding the characteristics of the molecular hydrogen quadrupole vibration-rotation lines are explored.

Lambert, D. L.↗
NASA NTRS1994

Observation of CH A->X, Cn B->X, and NH A->X Emissions in Gas-phase Collisions of Fast O ((sup 3)P) Atoms with Hydrazines

Optical emissions in single-collision reactions of fast (20 eV laboratory translational energy) O((sup 3)P) atoms with hydrazine, methylhydrazine, and 1,1-dimethylhydrazine have been measured in a crossed-beams geometry. The emissions were observed in the wavelength range 325-440 nm, and were identified as the CH (A 2(sub A))-->X(sup 2)pi(sub r), (for methylhydrazine), CN (B sup 2) Sigma(sup +) --> X(sup 2) Sigma(sup +) (for methylhydrazine)and NH(A(sup 3)pi --> X(sup3 Sigma) transitions (for all three hydraz vibration-rotation bands were fit to a synthetic spectrum of CH, CN and NH with given vibrational and rotational temperatures.

chemical reactions↗
NASA NTRS1985

Molecular orbital predictions of the vibrational frequencies of some molecular ions

The initial detections of IR vibration-rotation bands in polyatomic molecular ions by recent spectroscopic advances were guided by ab initio prediction of vibrational frequencies. The present calculations predict the vibrational frequencies of additional ions which are candidates for laboratory analysis. Neutral molecule vibrational frequencies were computed at three levels of theory and then compared with experimental data; the effect of scaling was also investigated, in order to determine how accurately vibrational frequencies could be predicted. For 92 percent of the frequencies examined, the relatively simple HF/6-31G theory's vibrational frequencies were within 100/cm of experimental values, with a mean absolute error of 49/cm. On this basis, the frequencies of 30 molecular ions (many possessing astrophysical significance) were computed.

Defrees, D. J.↗
NASA NTRS1980

Optoacoustic measurement of vibrational-translational /V-T/ rates using a short pulse CO2 laser

A technique for measuring the V-T transfer rates of polyatomic species based on the optoacoustic effect discovered by Bell, Tyndall, and Rontgen (1881) is investigated experimentally. The technique makes use of a coincidental resonance between one of the molecules vibration rotation bands and a CO2 laser line. By this absorption, the molecules can be excited to a known vibrational mode. Since typical time constants for V-T transfer are about 0.00001 sec torr, this method can be used in the pressure region up to 1 torr. The results obtained for CH3F agree with the measurements performed by other techniques.

Lawandy, N. M.↗
NASA NTRS1976

Absolute integrated intensity for the 3.44-microns NO2 band

A grating monochromator infrared spectrometer and a curve of growth technique were used to obtain the absolute integrated intensity for the 3.44 micron NO2 vibration-rotation band at very small NO2 partial pressures. The intensity was found to be 78.9 plus or minus 1.6/cm/(atm cm) at 296 K at the 95% confidence level. The study has relevance to the infrared spectral measurement of atmospheric NO2.

Shafer, J. H.↗
NASA NTRS1988

The V3, V4 and V6 bands of formaldehyde: A spectral catalog from 900 cm(-1) to 1580 cm(-1)

The results of a complete high resolution study of the three vibration-rotation bands v sub 3, v sub 4, and V sub 6 using both TDLs and FT-IR spectroscopy are presented. The reults are given in terms of a table of over 8000 predicted transition frequencies and strengths. A plot of the predicted and calculated spectra is shown. Over 3000 transitions were assigned and used in the simultaneous analysis of the three bands. The simultaneous fit permitted a rigorous study of Coriolis and other type iterations among bands yielding improved molecular constants. Line intensities of 28 transitions measured by a TDL and 20 transitions from FTS data were used, along with the eigenvectors from the frequency fitting, in a least squares analysis to evaluate the band strengths.

Nadler, Shachar↗
NASA NTRS1993

The fundamental bands of HCl-35 and HCl-37 - Line positions from high-resolution laboratory data

Accurate measurements of the positions of lines of the (1-0) vibration-rotation bands of HCl-35 and HCl-37 are reported. The new measurements have been derived from a laboratory spectrum recorded with a Fourier transform spectrometer operated at an unapodized spectral resolution of 0.0060/cm. Molecular constants are reported from a simultaneous least-squares analysis of these measurements and selected infrared and far-infrared data taken from the literature. The motivation for the present investigation is the need for improved HCl line positions for use in IR atmospheric remote sensing investigations.

Rinslad, Curtis P.↗
NASA NTRS1974

Correlation of 1.65 and 2.15 micron airglow emissions

The intense infrared airglow is due primarily to vibration-rotation bands of the OH molecule. This airglow has been observed with a 24-in. scanning photometer at two wavelengths. Narrow-band interference filters are used to limit observations to the (9,7) band at 2.15 microns and the (4,2) and (5,3) bands at 1.65 microns. If OH emission results from creation of the excited OH molecule in the v = 9 vibrational state and subsequent cascading through lower vibrational levels, the 1.65 and 2.15 micron radiation will be well correlated in space and time. However, if several mechanisms are involved in producing OH in a variety of initial excitation levels, there is no reason to expect good correlation. Sky maps obtained simultaneously at 1.65 and 2.15 microns show strongly correlated intensity fluctuations. Quantitative analysis of these maps and other investigations of smaller areas of the sky yield correlation coefficients typically in excess of 0.8.

Kieffaber, L. M.↗