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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 271 records · Page 15
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NASA NTRS2023

AI-3000K Infrared Line List for Hot CO 2

AI-3000K is a semi-empirical IR line list constructed for hot CO 2 spectra analysis and simulation up to 3000 – 4000 K. Compared to previously published Ames-1000K and UCL-4000, it represents a major upgrade, utilizing a new algorithm for optimization and including the latest improvements in potential energy surface (PES), dipole moment surface (DMS), and room temperature IR line list (Ames-2021 296K). To maximize the success of introducing experimental based accurate line positions, a new PES (X01d) was refined with respect to >800 selected CDSD2019 [Tashkun et al. JQSRT (2019) 228, 124] energy levels in the range of 0 – 24,000 cm -1 , with σ rms = 0.5 – 0.7 cm -1 . Most differences between the X01d PES based levels and CDSD2019 energies are within ± 2 cm -1 . A new DMS is fitted from extrapolated CCSD(T)/aug-cc-pV(T,Q,5)Z dipole calculations, with σ rms = 5.1 × 10 -6 au for 11,155 geometries up to 40,000 cm -1 , denoted Ames-2021–40K. Compared to the best available Ames-2021 DMS and room temperature IR line list [Huang et al J. Phys. Chem. A (2022) 126, 5940], the relative intensity differences are expected to be ∼ 1 ‰. The line position accuracy of ''X01d + Ames-2021–40K'' IR line list is significantly improved by adopting CDSD2019 energy levels up to 24,000 cm -1 (J ≤ 150). The Einstein A21 coefficients for E' < 15,000 cm -1 transitions are replaced by more accurate values from the Ames-2021 296K IR line list. In short, the AI-3000K is the X01d PES and Ames-2021–40K DMS based line list enhanced with the A 21 of Ames-2021 296K line list and CDSD energy levels. It provides continuous coverage from 0 to 20,000 cm -1 for the four most abundant isotopologues: 12 C 16 O 2 (626), 13 C 16 O 2 (636), 16 O 12 C 18 O (628), and 16 O 12 C 17 O (627). The impacts of isotopologue and E'/E'' cutoffs have been examined. Intensity convergence (not accuracy) of AI-3000K line list is quantitatively estimated in 1 cm -1 bins. It is better than 99% in the whole range of 0 – 20,000 (or 10,000) cm -1 at 1000 K (or 2000 K), or better than 90% in the whole range of 0 – 15,000 (or 9000) cm -1 at 2000 K (or 3000 K), respectively. Convergence beyond 3000 K will require a new PES and DMS for E' > 40,000 cm -1 . The AI-3000K and HITEMP based IR simulations are compared to high resolution shock tube experiments for CO 2 -Ar mixture up to 2000 K. With line position accuracy comparable to that of HITEMP, AI-3000K IR line list yields better agreements at more frequencies. Potential sources of discrepancies with experiment are discussed.

AI-3000K↗
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 NTRS2024

Accurate Infrared Line Lists for 20 Isotopologues of CS 2 at Room Temperature

To facilitate atmospheric and spectroscopic studies of carbon disulfide, or CS 2 , in both planetary and exoplanetary atmospheres, we adopt the “Best Theory + Reliable High-resolution Experiment” algorithm to generate semiempirical IR line lists for the 20 most abundant CS 2 isotopologues, denoted as Ames-296K. The IR lists are computed using the Ames-1 potential energy surface, refined using the experimental transition set and an ab initio dipole moment surface fitted from CCSD(T)/aug-cc-pV(T/Q/5+d)Z dipoles extrapolated to a one-particle basis set limit. The IR lists cover the range of 0–10,000 cm -1 , with an S 296K cutoff at 10 -31 cm -1 /molecule·cm -2 (abundance included). A “natural” IR line list at 296 K includes about 10 million lines of the 20 isotopologues, with their intensities scaled by the corresponding abundances. The zero-point energy, partition functions, and abundances are reported for each isotopologue. The energy levels in the global effective Hamiltonian model for 12 C 32 S 2 are adopted to improve the line position accuracy. This new IR list for the main isotopologue is denoted as A+I.296K. Reliable HITRAN2020 line positions are also utilized to improve the accuracy of the 32 S 12 C 34 S, 32 S 12 C 33 S, and 32 S 13 C 32 S isotopologue line lists. The final composite line list is validated against Pacific Northwest National Laboratory experimental cross sections, showing excellent agreement. The agreement supports the quality of the composite line list and the power of synergy between experiment and theory. The new data are proposed for use in updating and expanding the CS 2 data in HITRAN and other high-resolution IR databases. Supplementary files are available in Zenodo and AHED.

Exoplanet atmospheric composition↗
NASA NTRS1978

The excitation of electronic transverse energy levels in an intense magnetic field

Observations of the X-ray pulsar Hercules X-1 show a line emission feature at about 60 keV, which has been interpreted as the fundamental electron cyclotron line in a magnetic field of around six trillion gauss. In this interpretation, the line radiation results from transitions between transverse energy levels, which are quantized by the field. The expected line luminosity from the excitation of these levels by protons which are falling into the polar cap of a neutron star are calculated. They are assumed to attain kinetic energies up to around 200 MeV, the gravitational potential energy at the surface. The cross sections for high energy Coulomb encounters between small pitch angle protons and electrons in a strong field are measured and used to calculate the energy loss rate of the infalling protons. This rate, together with the rate of elastic nuclear proton collisions, is then used to calculate the number of line photons an infalling proton can be expected to produce, directly or indirectly. The results are applied to Hercules X-1.

Bussard, R. W.↗
NASA NTRS1981

Integrated and spectral energetics of the GLAS general circulation model

Integrated and spectral error energetics of the Goddard Laboratory for Atmospheric Sciences (GLAS) general circulation model are compared with observations for periods in January 1975, 1976, and 1977. For two cases the model shows significant skill in predicting integrated energetics quantities out to two weeks, and for all three cases, the integrated monthly mean energetics show qualitative improvements over previous versions of the model in eddy kinetic energy and barotropic conversions. Fundamental difficulties remain with leakage of energy to the stratospheric level. General circulation model spectral energetics predictions are compared with the corresponding observational spectra on a day by day basis. Eddy kinetic energy can be correct while significant errors occur in the kinetic energy of wavenumber three. Single wavenumber dominance in eddy kinetic energy and the correlation of spectral kinetic and potential energy are demonstrated.

Tenenbaum, J.↗
NASA NTRS1982

Integrated and spectral energetics of the GLAS general circulation model

Integrated and spectral error energetics of the GLAS General circulation model are compared with observations for periods in January 1975, 1976, and 1977. For two cases the model shows significant skill in predicting integrated energetics quantities out to two weeks, and for all three cases, the integrated monthly mean energetics show qualitative improvements over previous versions of the model in eddy kinetic energy and barotropic conversions. Fundamental difficulties remain with leakage of energy to the stratospheric level, particularly above strong initial jet streams associated in part with regions of steep terrain. The spectral error growth study represents the first comparison of general circulation model spectral energetics predictions with the corresponding observational spectra on a day by day basis. The major conclusion is that eddy kinetics energy can be correct while significant errors occur in the kinetic energy of wavenumber 3. Both the model and observations show evidence of single wavenumber dominance in eddy kinetic energy and the correlation of spectral kinetics and potential energy.

Tenenbaum, J.↗
NASA NTRS1982

Large Prandtl number finite-amplitude thermal convection with Maxwell viscoelasticity

It has long been known that the earth behaves viscoelastically. Viscoelasticity may be of importance in two aspects of mantle convection, including time-dependent behavior and local storage of recoverable work. The present investigation makes use of thermal convection in a box as a prototype of mantle flow. It is demonstrated that recoverable work can be important to the local mechanical energy balance in the descending lithosphere. It is shown that, even when assuming large viscoelastic parameters, an inherent time-dependence of viscoelastic convection appears only in local exchanges of mechanical energy. There is no strong exchange between buoyant potential energy and recoverable strain energy in the Rayleigh number range investigated. The investigation is mainly concerned with viscoelastic effects occurring on a buoyant time scale. It is found that viscoelastic effects have a negligible influence on the long term thermal energetics of mantle convection.

Ivins, E. R.↗
NASA NTRS1989

Expansion of solar-terrestrial low-beta plasmoid

A magnetized plasma system confined inside a finite volume may expand (or contract) when its surrounding pressure changes. In this paper, two possible expanding processes of a low-beta plasmoid are discussed: (1) linear expansion and (2) expansion with fixed footpoints of field lines. The constant-zeta expansion, discussed in this paper, may maintain a low-beta plasmoid in a nearly force-free state during the expanding process. This simple model is applied to the magnetic clouds observed in the interplanetary space. The estimated scale size and expanding speed of the magnetic cloud are found to be in reasonable agreement with the observation. The energy conversion process is investigated: the free 'magnetic potential energy' stored in a magnetized system, which is pressed by external pressure, may be released to accelerate the plasma. The concept of a 'magnetic burst' is briefly discussed.

Yang, Wei-Hong↗
NASA NTRS1994

Water and climate

The vertical profiles and temperature and moisture in convective regimes were investigated, using moist available energy as a guide. The generalized convective available potential energy observed during the Global Atmosphere Research Program's Atlantic Tropical Experiment (GATE) phase 3 was analyzed. Ice effects were included. The results have been used to develop an improved cumulus parameterization. Several reprints from the Journal of Atmospheric Sciences are appended.

Randall, David A.↗
NASA NTRS2003

A Variational Analysis of Divergence Profiles Based upon Column-Integrated Mass, Moisture and Energetic Constraints with Satellite-Derived Boundary Fluxes

A diagnostic study is made of the mean global divergent circulation based upon a constrained least action principle that minimizes column-integrated divergent kinetic energy subject to constraints on mass, moisture, available potential energy (ape) and total kinetic energy. The concept of gross moist stability was incorporated in the prescription of Lagrange weight function associated with the ape constraint in order to simulate the net effects of cumulus convective heating in the tropics. The variational analyses were validated satisfactorily with the original NCEP/NCAR-reanalysis divergence fields for the Septembers of 1987 and 1988. Further analyses show that in the tropical ascending regions, the analyzed divergences are dominated by the mass and ape constraints; the moisture constraint is implicitly satisfied while the kinetic energy constraint is highly dependent on the ape constraint. In the subtropical descending regions, the analyzed divergences are dominated by the mass, moisture and kinetic energy constraints; the ape constraint is implicitly satisfied. When the constraint integrals were blended with the satellite-derived boundary flux data from GPCP precipitation and ERBE/SRB radiation estimates, the newly analyzed divergences are significantly stronger than the reanalysis divergences in the areas where the estimates of precipitation rates are higher. With few exceptions, the increases in upper-layer divergences are coupled with nearly equal increases in lower-layer convergences.

Lu, Huei-Lin↗
NASA NTRS2003

The Mass of a Solar Quiescent Prominence

This paper follows up on our recent paper on the role of prominence mass in the storage of magnetic energy for driving a coronal mass ejection (CME). The previous paper erroneously rejected a set of sheet- prominence solutions, the recovery of which allows for a simple theoretical estimate of the mass of a quiescent prominence. For coronal fields of 5-10 G, these hydromagnetic solutions suggest that a prominence mass of (1-26) x 10(exp 6) g is needed to hold detached magnetic fields of intensity comparable to the coronal fields in an unbounded atmosphere such that the global magnetic field is energetically able to spontaneously open up and still have enough energy to account for the kinetic and gravitational potential energies carried away in a CME. This simple result is discussed in relation to observed prominence magnetic field intensities, densities, and masses, pointing to the relevance of such observations to the question of magnetic energy storage in the solar corona.

Low, B. C.↗
NASA NTRS1988

Study of an orbiting tethered dumbbell system having positive orbital energy

For very long tethered systems the sum of the kinetic and potential energy can be positive. The system remains in a circular orbit as long as the masses remain vertically aligned. The system is unstable without constant control of the alignment. If the upper mass rotates forward in the direction of the orbital motion, the system escapes out of orbit. If the upper mass rotates backward, the system falls out of orbit and the lower mass impacts the body around which the system is orbiting.

Arnold, David A.↗
NASA NTRS1984

Potential to kinetic energy conversion in wave number domain for the Southern Hemisphere

Preliminary results of a wave number study conducted for the South Pacific Convergence Zone (SPCZ) using FGGE data for the period January 10-27, 1979 are reported. In particular, three variables (geomagnetic height, z, vertical p-velocity, omega, and temperature, T) and one energy conversion quantity, omega-alpha (where alpha is the specific volume), are shown. It is demonstrated that wave number 4 plays an important role in the conversion from available potential energy to kinetic energy in the Southern Hemisphere tropics, particularly in the vicinity of the SPCZ. It is therefore suggested that the development and movement of wave number 4 waves be carefully monitored in making forecasts for the South Pacific region.

Huang, H.-J.↗
NASA NTRS1981

A potential enstrophy and energy conserving scheme for the shallow water equations

To improve the simulation of nonlinear aspects of the flow over steep topography, a potential enstrophy and energy conserving scheme for the shallow water equations is derived. It is pointed out that a family of schemes can conserve total energy for general flow and potential enstrophy for flow with no mass flux divergence. The newly derived scheme is a unique member of this family, that conserves both potential enstrophy and energy for general flow. Comparison by means of numerical experiment with a scheme that conserves (potential) enstrophy for purely horizontal nondivergent flow demonstrated the considerable superiority of the newly derived potential enstrophy and energy conserving scheme, not only in suppressing a spurious energy cascade but also in determining the overall flow regime. The potential enstrophy and energy conserving scheme for a spherical grid is also presented.

Arakawa, A.↗
NASA NTRS1979

Energy-state formulation of lumped volume dynamic equations with application to a simplified free piston Stirling engine

Lumped volume dynamic equations are derived using an energy state formulation. This technique requires that kinetic and potential energy state functions be written for the physical system being investigated. To account for losses in the system, a Rayleigh dissipation function is formed. Using these functions, a Lagrangian is formed and using Lagrange's equation, the equations of motion for the system are derived. The results of the application of this technique to a lumped volume are used to derive a model for the free piston Stirling engine. The model was simplified and programmed on an analog computer. Results are given comparing the model response with experimental data.

Daniele, C. J.↗
NASA NTRS1979

Energy-state formulation of lumped volume dynamic equations with application to a simplified free piston Stirling engine

Lumped volume dynamic equations are derived using an energy-state formulation. This technique requires that kinetic and potential energy state functions be written for the physical system being investigated. To account for losses in the system, a Rayleigh dissipation function is also formed. Using these functions, a Lagrangian is formed and using Lagrange's equation, the equations of motion for the system are derived. The results of the application of this technique to a lumped volume are used to derive a model for the free-piston Stirling engine. The model was simplified and programmed on an analog computer. Results are given comparing the model response with experimental data.

Daniele, C. J.↗