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Results for “rotational spectroscopy”

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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
NASA NTRS2015

Nonequilibrium Supersonic Freestream Studied Using Coherent Anti-Stokes Raman Spectroscopy

Measurements were conducted at the University of Virginia Supersonic Combustion Facility of the flow in a constant-area duct downstream of a Mach 2 nozzle. The airflow was heated to approximately 1200 K in the facility heater upstream of the nozzle. Dual-pump coherent anti-Stokes Raman spectroscopy was used to measure the rotational and vibrational temperatures of N2 and O2 at two planes in the duct. The expectation was that the vibrational temperature would be in equilibrium, because most scramjet facilities are vitiated air facilities and are in vibrational equilibrium. However, with a flow of clean air, the vibrational temperature of N2 along a streamline remains approximately constant between the measurement plane and the facility heater, the vibrational temperature of O2 in the duct is about 1000 K, and the rotational temperature is consistent with the isentropic flow. The measurements of N2 vibrational temperature enabled cross-stream nonuniformities in the temperature exiting the facility heater to be documented. The measurements are in agreement with computational fluid dynamics models employing separate lumped vibrational and translational/rotational temperatures. Measurements and computations are also reported for a few percent steam addition to the air. The effect of the steam is to bring the flow to thermal equilibrium, also in agreement with the computational fluid dynamics.

Cutler, Andrew D.↗
DOE OSTI2021

Dynamic Nuclear Polarization Enhanced Nuclear Spin Optical Rotation

Here, nuclear spin optical rotation (NSOR) has been investigated as a magneto-optical effect, which holds the potential for applications, including hybrid optical-nuclear magnetic resonance (NMR) spectroscopy and gradientless imaging. The intrinsic nature of NSOR renders its detection relatively insensitive, which has prevented it moving from a proof of concept to a method supporting chemical characterizations. In this work, the dissolution dynamic nuclear polarization technique is introduced to provide nuclear spin polarization, increasing the signal-to-noise ratio by several thousand times. NSOR signals of 1 H and 19 F nuclei are observed in a single scan for diluted compounds, which has made this effect suitable for the determination of electronic transitions from a specific nucleus in a large molecule.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
NASA NTRS1987

The rotationally modulated Zeeman spectrum at nearly 10 to the 9th Gauss of the white dwarf PG 1031 + 234

Detailed analyses are performed of high-quality, phase-resolved CCD spectroscopy of the absorption-line spectrum throughout its rotation period of the new white dwarf PG 1031 + 234. The spectral variations are discussed and compared with new theoretical calculations of the behavior of hydrogen in strong magnetic fields. This analysis is then extended through a modeling procedure which produces a synthetic magnetically distorted spectrum for a star of arbitrary field strength and structure. The results confirm that PG 1031 + 234 possesses the strongest field yet detected on a white dwarf, with regions on the surface spanning the range of about 200 to nearly 1000 MG. The spectroscopic data reflect a field pattern containing a slightly offset global component of polar field strength of about 500 MG together with a localized magnetic 'spot' whose central field approaches 2000 MG.

Latter, William B.↗
NASA NTRS1995

Submillimeter spectroscopy of interstellar hydrides

We discuss airborne observations of rotational transitions of various hydride molecules in the interstellar medium, including H2O-18 and HCl. The detection of these transitions is now feasible with a new, sensitive submillimeter receiver which has been developed for the NASA Kuiper Airborne Observatory (KAO) over the past several years.

Zmuidzinas, Jonas↗
DOE OSTI2021

Insights into the Rich Polymorphism of the Na + Ion Conductor Na 3 PS 4 from the Perspective of Variable-Temperature Diffraction and Spectroscopy

Solid electrolytes are crucial for next-generation solid-state batteries, and Na 3 PS 4 is one of the most promising Na + conductors for such applications, despite outstanding questions regarding its structural polymorphs. In this contribution, we present a detailed investigation of the evolution in structure and dynamics of Na 3 PS 4 over a wide temperature range 30 < T T < 500 °C, which we attribute to dynamic local tetragonal distortions. The first-order phase transition to the mesophasic high-temperature polymorph (γ, Fddd ) is associated with a sharp volume increase and the onset of liquid-like dynamics for sodium-cations (translational) and thiophosphate-polyanions (rotational) evident by inelastic neutron and Raman spectroscopies, as well as pair-distribution function and molecular dynamics analyses. Overall, these results shed light on the rich polymorphism of Na 3 PS 4 and are relevant for a range host of high-performance materials deriving from the Na 3 PS 4 structural archetype.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

A Search for Polarized Thermal Emission from Directly Imaged Exoplanets and Brown Dwarf Companions to Nearby Stars

Aerosols in the atmospheres of cloudy gas giant exoplanets and brown dwarfs scatter and polarize these objects’ thermal emission. If such an object has an oblate shape or nonuniform cloud distribution, the net degree of linear polarization can show an increase ranging from several tenths of a percent to a few percent. Modern high-contrast imaging polarimeters are now poised to detect such low-polarization signals, opening up a new window into the rotational velocities and cloud properties of substellar companions to nearby stars. In this paper, we present the results of a near-IR survey searching for linearly polarized thermal emission from a sample of two planetary-mass companions and five brown dwarf companions using GPI and SPHERE-IRDIS. We probe the subpercent linear polarization regime that typifies polarized free-floating brown dwarfs and place limits on each object’s degree of linear polarization. We relate our upper limits on each target’s degree of linear polarization to its rotation rate, and place our results in the context of rotation rates measured using high-resolution spectroscopy.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Trumpler 16-26: a new centrifugal magnetosphere star discovered via SDSS/APOGEE H -band spectroscopy

ABSTRACT We report the discovery of a new example of the rare class of highly magnetized, rapidly rotating, helium enhanced, early B stars that produce anomalously wide hydrogen emission due to a centrifugal magnetosphere (CM). The star is Trumpler 16-26, a B1.5 V member of the Trumpler 16 open cluster. A CM was initially suspected based on hydrogen Brackett series emission observed in SDSS/APOGEE H-band spectra. Similar to the other stars of this type, the emission was highly variable and at all times remarkable due to the extreme velocity separations of the double peaks (up to 1300 km s−1.) Another clue lay in the TESS light curve, which shows two irregular eclipses per cycle when phased with the likely 0.971 8115-d rotation period, similar to the behaviour of the well-known CM host star σ Ori E. To confirm a strong magnetic field and rotation-phase-locked variability, we initiated a follow-up campaign consisting of optical spectropolarimetry and spectroscopy. The associated data revealed a longitudinal magnetic field varying between −3.1 and +1.6 kG with the period found from photometry. The optical spectra confirmed rapid rotation (v sin i = 195 km s−1), surface helium enhancement, and wide, variable hydrogen emission. Tr16-26 is thus confirmed as the 20th known, the fourth most rapidly rotating, and the faintest CM host star yet discovered. With a projected dipole magnetic field strength of Bd > 11 kG, Tr16-26 is also among the most magnetic CM stars.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2020

KELT-9 b's Asymmetric TESS Transit Caused by Rapid Stellar Rotation and Spin-Orbit Misalignment

KELT-9 b is an ultra-hot Jupiter transiting a rapidly rotating, oblate early-A-type star in a polar orbit. We model the effect of rapid stellar rotation on KELT-9 b’s transit light curve using photometry from the Transiting Exoplanet Survey Satellite to constrain the planet’s true spin–orbit angle and to explore how KELT-9 b may be influenced by stellar gravity darkening. We constrain the host star’s equatorial radius to be 1.089±0.017 times as large as its polar radius and its local surface brightness to vary by∼38% between its hot poles and cooler equator. We model the stellar oblateness and surface brightness gradient and find that it causes the transit light curve to lack the usual symmetry around the time of minimum light. We take advantage of the light-curve asymmetry to constrain KELT-9b’s true spin–orbit angle (87degree+ -10degrees/-11degrees), agreeing with Gaudi et al. that KELT-9 b is in a nearly polar orbit. We also apply a gravity-darkening correction to the spectral energy distribution model from Gaudi et al. and find that accounting for rapid rotation gives a better fit to available spectroscopy and yields a more reliable estimate for the star’s polar effective temperature.

Exoplanets↗
DOE OSTI2020

KELT-9 b’s Asymmetric TESS Transit Caused by Rapid Stellar Rotation and Spin–Orbit Misalignment

KELT-9 b is an ultra-hot Jupiter transiting a rapidly rotating, oblate early-A-type star in a polar orbit. We model the effect of rapid stellar rotation on KELT-9 b’s transit light curve using photometry from the Transiting Exoplanet Survey Satellite to constrain the planet’s true spin–orbit angle and to explore how KELT-9 b may be influenced by stellar gravity darkening. We constrain the host star’s equatorial radius to be 1.089 ± 0.017 times as large as its polar radius and its local surface brightness to vary by ∼38% between its hot poles and cooler equator. We model the stellar oblateness and surface brightness gradient and find that it causes the transit light curve to lack the usual symmetry around the time of minimum light. We take advantage of the light-curve asymmetry to constrain KELT-9 b’s true spin–orbit angle (87{sup ∘}{sub −11{sup ∘+10{sup {sup ∘}}}}), agreeing with Gaudi et al. that KELT-9 b is in a nearly polar orbit. We also apply a gravity-darkening correction to the spectral energy distribution model from Gaudi et al. and find that accounting for rapid rotation gives a better fit to available spectroscopy and yields a more reliable estimate for the star’s polar effective temperature.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Disentangling the confounding spectroscopy of C 1 molecules: Without symmetry as a guide, everything is allowed

The spectra of C 1 molecules are confounding in that each of the fundamental vibrational modes transform as the same irreducible representation (A) and hence each band consists of a seemingly random distribution of a-, b-, and c-type transitions. This is in contrast to higher symmetry molecules for which band types are readily deduced by simple symmetry rules. Herein, we present a method to simulate the convoluted rotational contours in the gas-phase spectra of C 1 molecules by combining existing ab initio calculations with Colin Western’s PGOPHER rotational contour program. Specifically, ab initio calculations in the NWC HEM suite of programs were employed to predict the components of the dipole moment derivatives along the principal axes of the moments of inertia. This information was then input into PGOPHER to model the fundamental band contours as a sum of a-, b-, and c-type transitions. This method was applied to simulate the rotational contour spectra of a series of representative C 1 molecules which were then compared against both ab initio stick spectra and experimentally measured broadband IR spectra from the Pacific Northwest National Laboratory infrared gas-phase database. In addition to providing further insight beyond what is revealed in a typical stick spectrum, the simulated contours showed good agreement with the measured spectra.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Real-time elemental analysis of liquids for process monitoring using laser-induced breakdown spectroscopy with a liquid wheel sampling approach

This article presents an engineered sampling system that used a rotating wheel to form a thin liquid layer, permitting the use of laser-induced breakdown spectroscopy (LIBS) for in situ, real-time elemental impurity quantification during liquid processing. The sampling approach was demonstrated on eight elements from across the periodic table (Na, Al, K, Ca, Ti, Sr, Mo, and Yb). Univariate and multivariate calibrations were presented for each element. The average value for percent root mean square errors of cross-validation for the multivariate models was 3.64%, highlighting the method's strong prediction accuracy. Additionally, the limits of detection for each analyte were estimated from their univariate models: Na = 0.0532, Al = 18.5, K = 0.105, Ca = 0.273, Ti = 67.7, Sr = 0.640, Mo = 22.4, and Yb = 22.9 μg mL –1 . Finally, a test in which multivariate models were used to monitor a liquid system for 80 min was performed to investigate the real-time monitoring capabilities of this liquid LIBS sampling approach. Rigorous measurements were performed to effectively predict the absence and concentrations of multiple analytes as they were spiked and diluted. This demonstration showed the feasibility of using LIBS for real-time liquid quantification models with estimated precision ≤ 8.1%. Finally, the limitations of this approach and potential future improvements are discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Single-shot ultrafast dynamics of nanosecond pulsed plasmas: Transition from ps–ns nonequilibrium to near-full ionization

The ultrafast multi-stage evolution of state-defining properties in atmospheric-pressure nanosecond pulsed plasmas is quantified using single-discharge, jitter-free, continuous streak-sweep spectroscopy of N 2 (C → B) molecular and N + /O + ionic species with a single-shot time resolution as short as ∼160 ps. An early period of extreme nonequilibrium is observed with vibrational temperatures [T V (C)] dropping from ∼8000 K at <200 ps after plasma breakdown to <4000 K within ∼1 ns, with near-ambient rotational temperatures [T R (C)] ∼ 300 K due to limited collisional energy transfer. This early-time T V (C) trend is representative of a direct and unquenched look into the high-energy tail of the electron energy distribution function; thus, it tracks real-time changes in the mean electron energy via the N2(C) emission signatures. This is followed by the rapid onset of N + /O + ionic emission after a distinct time delay of ∼14.9 ns due to multistep chemical kinetics. The ionic emission enables determination of electron densities (n e ) >2 × 10 19 cm −3 and electron temperatures (T e ) >36 000 K, indicating the transition to a nearly fully ionized regime. The ps–ns temporal dynamics are also compared between air and N 2 plasmas to assess the influence of collisional partners, as well as across the anode, cathode, and central gap regions to identify spatial variations in plasma behavior. Finally, this work demonstrates versatile continuously probing approach capable of spectro-temporal and spatially resolved single-shot measurements of key state variables in the ps–ns evolution of atmospheric-pressure nanosecond pulsed plasmas.

Electric discharges↗
DOE OSTI2021

Protein Dynamics by Two-Dimensional Infrared Spectroscopy

Proteins function as ensembles of interconverting structures. The motions span from picosecond bond rotations to millisecond and longer subunit displacements. Characterization of functional dynamics on all spatial and temporal scales remains challenging experimentally. Two-dimensional infrared spectroscopy (2D IR) is maturing as a powerful approach for investigating proteins and their dynamics. We outline the advantages of IR spectroscopy, describe 2D IR and the information it provides, and introduce vibrational groups for protein analysis. We highlight example studies that illustrate the power and versatility of 2D IR for characterizing protein dynamics and conclude with a brief discussion of the outlook for biomolecular 2D IR.

Chemistry↗
DOE OSTI2021

Infrared spectroscopy of RG–Co + (H 2 O) complexes (RG = Ar, Ne, He): The role of rare gas “tag” atoms

RG n –Co + (H 2 O) cation complexes (RG = Ar, Ne, He) are generated in a supersonic expansion by pulsed laser vaporization. Here, complexes are mass-selected using a time-of-flight spectrometer and studied with infrared laser photodissociation spectroscopy, measuring the respective mass channels corresponding to the elimination of the rare gas “tag” atom. Spectral patterns and theory indicate that the structures of the ions with a single rare gas atom have this bound to the cobalt cation opposite the water moiety in a near-C 2v arrangement. The O–H stretch vibrations of the complex are shifted compared to those of water because of the metal cation charge-transfer interaction; these frequencies also vary systematically with the rare gas atom attached. The efficiencies of photodissociation also vary with the rare gas atoms because of their widely different binding energies to the cobalt cation. The spectrum of the argon complex could only be measured when at least three argon atoms were attached. In the case of the helium complex, the low binding energy allows the spectra to be measured for the low-frequency H–O–H scissors bending mode and for the O–D stretches of the deuterated analog. The partially resolved rotational structure for the antisymmetric O–H and O–D stretches reveals the temperature of these complexes (6 K) and establishes the electronic ground state. The helium complex has the same 3 B 1 ground state as the tag-free complex studied previously by Metz and co-workers (2013), but the A rotational constant is contaminated by vibrational averaging from the bending motion of the helium.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2015

The Compositional Evolution of C/2012 S1 (ISON) from Ground-Based High-Resolution Infrared Spectroscopy as Part of a Worldwide Observing Campaign

Volatile production rates, relative abundances, rotational temperatures, and spatial distributions in the coma were measured in C/2012 S1 (ISON) using long-slit high-dispersion (lambda/delta lambda approximately 2.5 times 10 (sup 4)) infrared spectroscopy as part of a worldwide observing campaign. Spectra were obtained on Universal Time 2013 October 26 and 28 with NIRSPEC (Near Infrared Spectrometer) at the W.M. Keck Observatory, and Universal Time 2013 November 19 and 20 with CSHELL (Cryogenic Echelle Spectrograph) at the NASA IRTF (Infrared Telescope Facility). H2O was detected on all dates, with production rates increasing markedly from (8.7 plus or minus 1.5) times 10 (sup 27) molecules per second on October 26 (Heliocentric Distance = 1.12 Astronomical Units) to (3.7 plus or minus 0.4) times 10 (sup 29) molecules per second on November 20 (Heliocentric Distance = 0.43 Astronomical Units). Short-term variability of H2O production is also seen as observations on November 19 show an increase in H2O production rate of nearly a factor of two over a period of about 6 hours. C2H6, CH3OH and CH4 abundances in ISON (International Scientific Optical Network) are slightly depleted relative to H2O when compared to mean values for comets measured at infrared wavelengths. On the November dates, C2H2, HCN and OCS abundances relative to H2O appear to be within the range of mean values, whereas H2CO and NH3 were significantly enhanced. There is evidence that the abundances with respect to H2O increased for some species but not others between October 28 (Heliocentric Distance = 1.07 Astronomical Units) and November 19 (Heliocentric Distance = 0.46 Astronomical Units). The high mixing ratios of H2CO to CH3OH and C2H2 to C2H6 on November 19, and changes in the mixing ratios of some species with respect to H2O between October 28 to November 19, indicates compositional changes that may be the result of a transition from sampling radiation-processed outer layers in this dynamically new comet to sampling more pristine natal material as the outer processed layer was increasingly eroded and the thermal wave propagated into the nucleus as the comet approached perihelion for the first time. On November 19 and 20, the spatial distribution for dust appears asymmetric and enhanced in the antisolar direction, whereas spatial distributions for volatiles (excepting CN) appear symmetric with their peaks slightly offset in the sunward direction compared to the dust. Spatial distributions for H2O, HCN, C2H6, C2H2, and H2CO on November 19 show no definitive evidence for significant contributions from extended sources; however, broader spatial distributions for NH3 and OCS may be consistent with extended sources for these species. Abundances of HCN and C2H2 on November 19 and 20 are insufficient to account for reported abundances of CN and C2 in ISON near this time. Differences in HCN and CN spatial distributions are also consistent with HCN as only a minor source of CN in ISON on November 19 as the spatial distribution of CN in the coma suggests a dominant distributed source that is correlated with dust and not volatile release. The spatial distributions for NH3 and NH2 are similar, suggesting that NH3 is the primary source of NH2 with no evidence of a significant dust source of NH2; however, the higher production rates derived for NH3 compared to NH2 on November 19 and 20 remain unexplained. This suggests a more complete analysis that treats NH2 as a distributed source and accounts for its emission mechanism is needed for future work.

Russo, N. Dello↗
DOE OSTI2025

Signature of magnetoelectric coupling driven finite momentum pairing in 3D ising superconductor

The finite momentum superconducting paring states (FMPs) represent a forefront of condensed matter physics. Here we report experimental evidence of FMP in a locally noncentrosymmetric bulk superconductor 4H b -TaS 2 . Using hard X-ray diffraction and angle-resolved photoemission spectroscopy, we reveal unusual 2D ferro-rotational charge density wave (CDW) and weak interlayer hopping in 4H b -TaS 2 . The superconducting upper critical field, H c2 , linearly increases via decreasing temperature, and well exceeds the Pauli limit, suggesting the dominant orbital pair-breaking mechanism. Remarkably, we observed evidence of field-induced superconductivity-to-superconductivity transition that breaks continuous rotational symmetry of the s-wave uniform pairing in the Bardeen-Cooper-Schrieffer theory down to the six-fold rotation symmetry. Ginzburg-Landau free energy analysis shows that magnetoelectric coupling, induced by 2D ferro-rotational CDW, stabilizes FMP that provides an explanation of the lowering rotation symmetry. Our results provide a new understanding of unconventional superconducting behaviors of the bulk quantum heterostructure 4H b -TaS 2 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Tendencies of enhanced electronic nematicity in the Hubbard model and a comparison with Raman scattering on high-temperature superconductors

The pseudogap regime of the cuprate high-temperature superconductors is characterized by a variety of competing orders, the nature of which are still widely debated. Recent experiments have provided evidence for electron nematic order, in which the electron fluid breaks rotational symmetry while preserving translational invariance. Raman spectroscopy, with its ability to symmetry resolve low energy excitations, is a unique tool that can be used to assess nematic fluctuations and nematic ordering tendencies. Here we compare results from determinant quantum Monte Carlo simulations of the Hubbard model to experimental results from Raman spectroscopy in La 2-x Sr x CuO 4 , which show a prominent increase in the B 1g response around 10% hole doping as the temperature decreases, indicative of a rise in nematic fluctuations at low energy. Finally, our results support a picture of nematic fluctuations with B 1g symmetry occurring in underdoped cuprates, which may arise from melted stripes at elevated temperatures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗