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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS2017

The HITRAN2016 Molecular Spectroscopic Database

This paper describes the contents of the 2016 edition of the HITRAN molecular spectroscopic compilation. The new edition replaces the previous HITRAN edition of 2012 and its updates during the intervening years. The HITRAN molecular absorption compilation is composed of five major components: the traditional line-by-line spectroscopic parameters required for high-resolution radiative-transfer codes, infrared absorption cross-sections for molecules not yet amenable to representation in a line-by-line form, collision-induced absorption data, aerosol indices of refraction, and general tables such as partition sums that apply globally to the data. The new HITRAN is greatly extended in terms of accuracy, spectral coverage, additional absorption phenomena, added line-shape formalisms, and validity. Moreover, molecules, isotopologues, and perturbing gases have been added that address the issues of atmospheres beyond the Earth. Of considerable note, experimental IR cross-sections for almost 300 additional molecules important in different areas of atmospheric science have been added to the database. The compilation can be accessed through www.hitran.org. Most of the HITRAN data have now been cast into an underlying relational database structure that offers many advantages over the long-standing sequential text-based structure. The new structure empowers the user in many ways. It enables the incorporation of an extended set of fundamental parameters per transition, sophisticated line-shape formalisms, easy user-defined output formats, and very convenient searching, filtering, and plotting of data. A powerful application programming interface making use of structured query language (SQL) features for higher-level applications of HITRAN is also provided.

HITRAN↗
NASA NTRS2024

Evidence for Surprising Heavy Nitrogen Isotopic Enrichment in Comet 46P/Wirtanen's Hydrogen Cyanide

46P/Wirtanen is a Jupiter-family comet, probably originating from the solar system's Kuiper Belt, that now resides on a 5.4 yr elliptical orbit. During its 2018 apparition, comet 46P passed unusually close to the Earth (within 0.08 au), presenting an outstanding opportunity for close-up observations of its inner coma. Here we present observations of HCN, H13CN, and HC15N emission from 46P using the Atacama Compact Array. The data were analyzed using the SUBLIME non-LTE radiative transfer code to derive 12C/13C and 14N/15N ratios. The HCN/H13CN ratio is found to be consistent with a lack of significant 13C fractionation, whereas the HCN/HC15N ratio of 68 ± 27 (using our most conservative 1σ uncertainties), indicates a strong enhancement in 15N compared with the solar and terrestrial values. The observed 14N/15N ratio is also significantly lower than the values of ∼140 found in previous comets, implying a strong 15N enrichment in 46P's HCN. This indicates that the nitrogen in Jupiter-family comets could reach larger isotopic enrichments than previously thought, with implications for the diversity of 14N/15N ratios imprinted into icy bodies at the birth of the solar system.

Short period comets↗
NASA NTRS1982

Ultra high resolution molecular beam cars spectroscopy with application to planetary atmospheric molecules

The measurement of high resolution pulsed and continuous wave (CW) coherent anti-Stokes Raman spectroscopy (CARS) measurements in pulsed and steady state supersonic expansions were demonstrated. Pulsed molecular beam sources were characterized, and saturation of a Raman transition and, for the first time, the Raman spectrum of a complex molecular cluster were observed. The observation of CW CARS spectra in a molecular expansion and the effects of transit time broadening is described. Supersonic expansion is established as a viable technique for high resolution Raman spectroscopy of cold molecules with resolutions of 100 MH2.

Byer, R. L.↗
NASA NTRS1990

Optical signatures of molecular particles via mass-selected cluster spectroscopy

A new molecular beam apparatus was developed to study optical absorption in cold (less than 100 K) atomic clusters and complexes produced by their condensation with simple molecular gases. In this instrument, ionized clusters produced in a laser vaporization nozzle source are mass selected and studied with photodissociation spectroscopy at visible and ultraviolet wavelengths. This new approach can be applied to synthesize and characterize numerous particulates and weakly bound complexes expected in planetary atmospheres and in comets.

Duncan, Michael A.↗
NASA NTRS1987

Molecular flow velocity using Doppler shifted Raman spectroscopy

Measurements of molecular flow velocity, static pressure, and translational temperature in the free-stream of a supersonic wind tunnel and behind the shock of a simple model are reviewed. Based on the free-stream demonstration using inverse Raman spectroscopy, an experiment is outlined to investigate the lee-side flow field above a swept delta wing and simulated spectra expected for the leading-edge vortex are included. The extension of the technique to hypersonic wind tunnels is also explored through the use of simulated spectra.

Exton, Reginald J.↗
NASA NTRS2020

High-resolution Infrared Spectroscopy of Hot Molecular Gas in AFGL 2591 and AFGL 2136: Accretion in the Inner Regions of Disks around Massive Young Stellar Objects

We have performed a high-resolution 4–13 μm spectral survey of the hot molecular gas associated with the massive protostars AFGL 2591 and AFGL 2136, utilizing the Echelon Cross Echelle Spectrograph (EXES) on board the Stratospheric Observatory for Infrared Astronomy, and the iSHELL instrument and Texas EchelonCross Echelle Spectrograph (TEXES) on the NASA Infrared Telescope Facility (IRTF). Here we present the results of this survey with analysis of CO, HCN, C2H2, NH3, and CS, deriving the physical conditions for each species. Also from the IRTF, iSHELL data at 3 μm for AFGL 2591are presented that show HCN and C2H2 in emission. In the EXES and TEXES data, all species are detected in absorption, and temperatures and abundances are found to be high (600 K and 10−6, respectively). Differences of up to an order of magnitude in the abundances of transitions that trace the same ground-state level are measured for HCN and C2H2. The mid-infrared continuum is known to originate in a disk, hence we attribute the infrared absorption to arise in the photosphere of the disk. As absorption lines require an outwardly decreasing temperature gradient, we conclude that the disk is heated in the midplane by viscous heating due to accretion. We attribute the near-IR emission lines to scattering by molecules in the upper layers of the disk photosphere. The absorption lines trace the disk properties at 50 au where high-temperature gasphase chemistry is taking place. Abundances are consistent with chemical models of the inner disk of Herbig disks.

Andrew Barr↗
NASA NTRS1981

Observation and measurement of molecular flow using stimulated Raman gain spectroscopy

The observation and measurement of frequency shifts in stimulated Raman gain spectroscopy resulting from subsonic molecular nitrogen flows emerging from a simple nozzle are reported. The flow velocity in the region of the measurement was determined to be 145 m/s with an accuracy of plus or minus 30 m/s. It is expected that significantly better flow-velocity resolution will be obtained in future experiments using inverse Raman scattering.

Herring, G. C.↗
NASA NTRS2026

CH3OH and HCN in Interstellar Comet 3I/ATLAS Mapped with the ALMA Atacama Compact Array: Distinct Outgassing Behaviors and a Remarkably High CH3OH/HCN Production Rate Ratio

We report the detection of methanol (CH3OH) toward interstellar comet 3I/ATLAS using the At-acama Compact Array of the Atacama Large Millimeter/Submillimeter Array (ALMA) on UT 2025 August 28, September 18 and 22, and October 1, and of hydrogen cyanide (HCN) on September 12 and 15. These observations spanned pre-perihelion heliocentric distances (r H ) of 2.6 – 1.7 au. The molecules showed outgassing patterns distinct from one another, with HCN production being depleted in the sunward hemisphere of the coma, whereas CH3OH was enhanced in that direction. Statistical analysis of molecular scale lengths in 3I/ATLAS indicated that CH3OH included production from coma sources at Lp > 258 km at 99% confidence. However low signal-to-noise on long baselines, which sample emission on small spatial scales closest to the nucleus, prevented definitively ruling out CH3OH as purely a parent species. In contrast, HCN production was indistinguishable from direct nucleus sublimation. The CH3OH production rate increased sharply from August through October, including an uptick near the inner edge of the H2O sublimation zone at rH = 2 au. Compared to comets measured to date at radio wavelengths, the derived CH3OH/HCN ratios in 3I/ATLAS of 124+30−34 and 79+11−14on September 12 and 15, respectively, are among the most enriched values measured in any comet, surpassed only by anomalous solar system comet C/2016 R2 (PanSTARRS)

Comae↗
NASA NTRS2023

Gas Sources from the Coma and Nucleus of Comet 46P/Wirtanen Observed Using ALMA

Gas-phase molecules in cometary atmospheres (comae) originate primarily from (1) outgassing by the nucleus, (2) sublimation of icy grains in the near-nucleus coma, and (3) coma (photo)chemical processes. However, the majority of cometary gases observed at radio wavelengths have yet to be mapped, so their production/release mechanisms remain uncertain. Here we present observations of six molecular species toward comet 46P/Wirtanen, obtained using the Atacama Large Millimeter/submillimeter Array during the comet's unusually close (∼0.1 au) approach to Earth in 2018 December. Interferometric maps of HCN, CH 3 OH, CH 3 CN, H 2 CO, CS, and HNC were obtained at an unprecedented sky-projected spatial resolution of up to 25 km, enabling the nucleus and coma sources of these molecules to be accurately quantified. The HCN, CH 3 OH, and CH 3 CN spatial distributions are consistent with production by direct outgassing from (or very close to) the nucleus, with a significant proportion of the observed CH 3 OH originating from sublimation of icy grains in the near-nucleus coma (at a scale length L p = 36 ± 7 km). On the other hand, H 2 CO, CS, and HNC originate primarily from distributed coma sources (with L p values in the range 550–16,000 km), the identities of which remain to be established. The HCN, CH 3 OH, and HNC abundances in 46P are consistent with the average values previously observed in comets, whereas the H 2 CO, CH 3 CN, and CS abundances are relatively low.

Short period comets↗
NASA NTRS2004

Entangled Biphoton Virtual-State Spectroscopy of the A(exp 2)Sigma(sup +)-X(exp 2)Pi System of OH

This Letter describes the first application of entanglement-induced virtual-state spectroscopy to a molecular system. Non-classical, non-monotonic behavior in a two-photon absorption cross section of the OH A-X system, induced by an entangled biphoton state is theoretically demonstrated. A Fourier transform analysis of the biphoton cross section permits access to the energy eigenvalues of intermediate rovibronic states with a fixed excitation photon energy. The dependence of the Fourier spectrum on the tuning range of the entanglement time (T(sub e)) and the relative path delay (tau(sub e)) is discussed. Our analysis reveals that the implementation of molecular virtual-state spectroscopy for the OH A-X system requires the tuning of tau(sub e) over a pico-second range with femto-second resolution.

Kojima, Jun↗
NASA NTRS2004

Entangled Biphoton Virtual-State Spectroscopy of the A(exp 2)Sigma(+) - X(exp 2)Pi System of OH

This Letter describes the first application of entanglement-induced virtual-state spectroscopy to a molecular system. Non-classical, non-monotonic behavior in a two-photon absorption cross section of the OH A-X system, induced by an entangled biphoton state is theoretically demonstrated. A Fourier transform analysis of the biphoton cross section permits access to the energy eigenvalues of intermediate rovibronic states with a fixed excitation photon energy. The dependence of the Fourier spectrum on the tuning range of the entanglement time T(sub e), and the relative path delay tau(sub e) is discussed. Our analysis reveals that the implementation of molecular virtual-state spectroscopy for the OH A-X system requires the tuning of tau(sub e) over a pico-second range with femto-second resolution.

Kojima, Jun↗