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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Asymptotic errors in adiabatic evolution

The adiabatic theorem in quantum mechanics implies that if a system is in a discrete eigenstate of a Hamiltonian and the Hamiltonian evolves in time arbitrarily slowly, the system will remain in the corresponding eigenstate of the evolved Hamiltonian. Understanding corrections to the adiabatic result that arise when the evolution of the Hamiltonian is slow—but not arbitrarily slow—has become increasingly important, especially since adiabatic evolution has been proposed as a method of state preparation in quantum computing. Here, this paper identifies two regimes, an adiabatic regime in which corrections are generically small and can depend on details of the evolution throughout the path, and a hyperadiabatic regime in which the error is given by a form similar to an asymptotic expansion in the inverse of the evolution time with the coefficients depending principally on the behavior at the endpoints. However, the error in this hyperadiabatic regime is neither given by a true asymptotic series nor solely dependent on the endpoints: the coefficients combine the contributions from both endpoints, with relative phase factors that depend on the average spectral gaps along the trajectory, multiplied by the evolution time. The central result of this paper is to identify a quantity, referred to as the typical error, which is obtained by appropriately averaging the error over evolution times that are small compared to the evolution time itself. This typical error is characterized by an asymptotic series and depends solely on the endpoints of the evolution, remaining independent of the details of the intermediate evolution.

adiabatic approximation↗
NASA NTRS1974

Rotational-vibrational coupling in the theory of electron-molecule scattering

The adiabatic-nuclei approximation of vibrational-rotational excitation of homonuclear diatomic molecules can be simply augmented to describe the vibrational-rotational coupling by including the dependence of the vibrational wave function on j. Appropriate formulas are given, and the theory, is applied to e-H2 excitation, whereby it is shown that deviations from the simple Born-Oppenheimer approximation measured by Wong and Schultz can be explained. More important, it can be seen that the inclusion of the j-dependent centrifugal term is essential for transitions involving high-rotational quantum numbers.

Temkin, A.↗
NASA NTRS1981

Elastic scattering and rotational excitation of a polyatomic molecule by electron impact - Acetylene

Differential, integral, momentum transfer, and partial cross sections have been calculated for elastic scattering and rotational excitation of C2H2 by 10-eV electrons. The effective potential includes static, exchange, and polarization interactions calculated by the INDOX/1s method and the semiclassical exchange approximation with adiabatic polarization at large electron-molecule distances. The scattering is treated by well converged rotational close coupling using the centrifugal dominant scheme to select the channels included and including up to 32 coupled channels for a given total angular momentum. The calculated integral cross sections for pure elastic scattering and rotation excitation are 54.5 and 41.4 a(0)squared, respectively. These are much larger than the values (34.4 and 18.6 a(0)squared) previously (Onda and Truhlar, 1979) calculated for the isoelectronic molecule N2, at this energy. This illustrates how the greater spatial extent of C2H2 greatly increases the cross sections for pure elastic and rotationally inelastic scattering.

Thirumalai, D.↗
NASA NTRS1983

Onion-shell model of cosmic ray acceleration in supernova remnants

A method is devised to approximate the spatially averaged momentum distribution function for the accelerated particles at the end of the active lifetime of a supernova remnant. The analysis is confined to the test particle approximation and adiabatic losses are oversimplified, but unsteady shock motion, evolving shock strength, and non-uniform gas flow effects on the accelerated particle spectrum are included. Monoenergetic protons are injected at the shock front. It is found that the dominant effect on the resultant accelerated particle spectrum is a changing spectral index with shock strength. High energy particles are produced in early phases, and the resultant distribution function is a slowly varying power law over several orders of magnitude, independent of the specific details of the supernova remnant.

Bogdan, T. J.↗
NASA NTRS1949

The Compressible Flow Past Various Plane Profiles Near Sonic Velocity

In an earlier report UM No.1117 by Gothert,the single-source method was applied to the compressible flow around circles, ellipses, lunes, and around an elongated body of revolution at different Mach numbers and the results compared as far as possible with the calculations by Lamla ad Busemann. Essentially, it was found that with favorable source arrangement the single-source method is in good agreement with the calculations of the same degree of approximation by.Lamla and Busemann. Near sonic velocity the number of steps must be increased considerably in order to sufficiently approximate the adiabatic curve. After exceeding a certain Mach number where local supersonic fields occur already, it was no longer possible, in spite of the substantially increased number of steps, to obtain a systematic solution because the calculation diverged. This result,was interpreted to mean that above this point of divergence the symmetrical type of flow ceases to exist and changes into the unsymmetrical type characterized by compressibility shocks.

Goethert, B.↗
NASA NTRS1981

Comparison of radiative-convective models with constant and pressure-dependent lapse rates

One of the most commonly used models for studying climatic processes is the convective adjustment radiation model. In current radiation models, stable temperature profiles are maintained with a convective adjustment in which the temperature lapse rate is set equal to a critical lapse rate whenever the computed lapse rates exceed the critical value. First introduced by Manabe and Strickler (1964), a variety of convective adjustment models are now in use. It is pointed out that on a global scale, moist adiabatic processes, and thus moist adiabatic lapse rates, approximate the atmospheric temperature profile. Comparisons of profiles from a one-dimensional-radiative-convective model have been made using the conventional 6.5 K/km as the critical lapse rate and the pressure-dependent moist adiabatic lapse rates. For a clear sky and a single effective cloud the surface temperatures are 1 to 3 K higher with the constant 6.5 K/km critical lapse rate.

Hummel, J. R.↗
NASA NTRS1978

Adiabatic particle motion in a nearly drift-free magnetic field - Application to the geomagnetic tail

An investigation is made of the adiabatic particle motion occurring in an almost drift-free magnetic field. The dependence of the mean drift velocity on the equatorial pitch angle and the variation of the local drift velocity along the trajectories is studied. The fields considered are two-dimensional and resemble the geomagnetic tail. Derivations are presented for instantaneous and average drift velocities, bounce times, longitudinal invariants, and approximations to the adiabatic Hamiltonian. As expected, the mean drift velocity is significantly smaller than the instantaneous drift velocities found at typical points on the trajectory. The slow drift indicates that particles advance in the dawn-dusk direction rather slowly in the plasma sheet of the magnetospheric tail.

Stern, D. P.↗
NASA NTRS2003

Magnetohydrodynamic Jump Conditions for Oblique Relativistic Shocks with Gyrotropic Pressure

Shock jump conditions, i.e., the specification of the downstream parameters of the gas in terms of the upstream parameters, are obtained for steady-state, plane shocks with oblique magnetic fields and arbitrary flow speeds. This is done by combining the continuity of particle number flux and the electromagnetic boundary conditions at the shock with the magnetohydrodynamic conservation laws derived from the stress-energy tensor. For ultrarelativistic and nonrelativistic shocks, the jump conditions may be solved analytically. For mildly relativistic shocks, analytic solutions are obtained for isotropic pressure using an approximation for the adiabatic index that is valid in high sonic Mach number cases. Examples assuming isotropic pressure illustrate how the shock compression ratio depends on the shock speed and obliquity. In the more general case of gyrotropic pressure, the jump conditions cannot be solved analytically with- out additional assumptions, and the effects of gyrotropic pressure are investigated by parameterizing the distribution of pressure parallel and perpendicular to the magnetic field. Our numerical solutions reveal that relatively small departures from isotropy (e.g., approximately 20%) produce significant changes in the shock compression ratio, r , at all shock Lorentz factors, including ultrarelativistic ones, where an analytic solution with gyrotropic pressure is obtained. In particular, either dynamically important fields or significant pressure anisotropies can incur marked departures from the canonical gas dynamic value of r = 3 for a shocked ultrarelativistic flow and this may impact models of particle acceleration in gamma-ray bursts and other environments where relativistic shocks are inferred. The jump conditions presented apply directly to test-particle acceleration, and will facilitate future self-consistent numerical modeling of particle acceleration at oblique, relativistic shocks; such models include the modification of the fluid velocity profile due to the contribution of energetic particles to the momentum and energy fluxes.

Double, Glen P.↗
DOE OSTI2024

Exciting DeePMD: Learning excited-state energies, forces, and non-adiabatic couplings

We extend the DeePMD neural network architecture to predict electronic structure properties necessary to perform non-adiabatic dynamics simulations. While learning the excited state energies and forces follows a straightforward extension of the DeePMD approach for ground-state energies and forces, how to learn the map between the non-adiabatic coupling vectors (NACV) and the local chemical environment descriptors of DeePMD is less trivial. Most implementations of machine-learning-based non-adiabatic dynamics inherently approximate the NACVs, with an underlying assumption that the energy-difference-scaled NACVs are conservative fields. We overcome this approximation, implementing the method recently introduced by Richardson [J. Chem. Phys. 158, 011102 (2023)], which learns the symmetric dyad of the energy-difference-scaled NACV. Furthermore, the efficiency and accuracy of our neural network architecture are demonstrated through the example of the methaniminium cation CH 2 NH 2 + .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1987

Convective heating and precipitation estimates for the tropical South Pacific during FGGE, 10-18 January 1979

Heat and moisture budgets are computed during part of the FGGE Special Observing Period-1 for an area containing the South Pacific convergence zone, deriving 12-hour precipitation rate estimates as residuals and comparing them with those derived from a GOES IR technique. Heat budget estimates are generally in good agreement with the IR estimates; the axis of maximum precipitation derived from tne heat budget is well aligned with the lowest values of outgoing long wave excitation, which represent high, cold cloud tops resulting from deep cumulus convection. The vertical advection term is found to be the dominant term in the heat budget; this, together with radiative cooling, yields the approximate balance between adiabatic cooling and diabatic heating.

Miller, Bernard L.↗
NASA NTRS1987

Inclusion of electron correlation for the target wave function in low- to intermediate-energy e-N2 scattering

In a recent calculation, an exact exchange method was developed for use in the partial-differential-equation approach to electron-molecule scattering and was applied to e-N2 scattering in the fixed-nuclei approximation with an adiabatic polarization potential at low energies (0-10 eV). Integrated elastic cross sections were calculated and found to be lower than experiment at energies both below and above the Pi(g) resonance. It was speculated at that time that improved experimental agreement could be obtained if a correlated target representation were used in place of the uncorrelated one. The present paper implements this suggestion and demonstrates the improved agreement. These calculations are also extended to higher energies (0-30 eV) so asd to include the Sigma(u) resonance. Some discrepancies among the experiments and between experiment and the various calculations at very low energy are noted.

Weatherford, C. A.↗
NASA NTRS1990

Limit on overshooting from the convective core in upper main-sequence stars

Overshooting of convective elements far beyond the classical Schwarzschild convective core boundary in theoretical models of massive ZAMS stars is found to lead to significant reductions of stellar luminosity and radius, provided that the temperature gradient in the overshoot region can be approximated by the adiabatic gradient. Comparison of these theoretical models with binary star data for the range of 5-15 solar masses indicates that the ratio of overshoot distance to pressure scale height is probably less than 1.5. This result apparently excludes any overshooting theories that predict very extended adiabatic convective cores.

Stothers, Richard B.↗
NASA NTRS1949

Performance of Axial-Flow Supersonic Compressor on XJ-55-FF-1 Turbojet Engine. I - Preliminary Performance of Compressor: Preliminary Performance of Compressor - 1

An investigation was conducted to determine the performance characteristics of the axial-flow supersonic compressor of the XJ-55-FF-1 turbo Jet engine. The test unit consisted of a row of inlet guide vanes and a supersonic rotor; the stator vanes after the rotor were omitted. The maximum pressure ratio produced in the single stage was 2.28 at an equivalent tip speed or 1814 feet per second with an adiabatic efficiency of approximately 0.61, equivalent weight flow of 13.4 pounds per second. The maximum efficiency of 0.79 was obtained at an equivalent tip speed of 801 feet per second.

Hartmann, Melvin J.↗
NASA NTRS2011

The Structure of Titan's Atmosphere from Cassini Radio Occultations

We present results from the two radio occultations of the Cassini spacecraft by Titan in 2006, which probed mid-southern latitudes. Three of the ingress and egress soundings occurred within a narrow latitude range, 31.34 deg S near the surface, and the fourth at 52.8 deg S. Temperature - altitude profiles for all four occultation soundings are presented, and compared with the results of the Voyager 1 radio occultation (Lindal et al., 1983), the HASI instrument on the Huygens descent probe (Fulchignoni et al., 2005), and Cassini CIRS results (Flasar et al., 2005; Achterberg et al., 2008b). Sources of error in the retrieved temperature - altitude profiles are also discussed, and a major contribution is from spacecraft velocity errors in the reconstructed ephemeris. These can be reduced by using CIRS data at 300 km to make along-track adjustments of the spacecraft timing. The occultation soundings indicate that the temperatures just above the surface at 31-34 deg S are about 93 K, while that at 53 deg S is about 1 K colder. At the tropopause, the temperatures at the lower latitudes are all about 70 K, while the 53 deg S profile is again 1 K colder. The temperature lapse rate in the lowest 2 km for the two ingress (dawn) profiles at 31 and 33 deg S lie along a dry adiabat except within approximately 200m of the surface, where a small stable inversion occurs. This could be explained by turbulent mixing with low viscosity near the surface. The egress profile near 34 deg S shows a more complex structure in the lowest 2 km, while the egress profile at 53 deg S is more stable.

Schinder, Paul J.↗
NASA NTRS1977

Observations of galactic cosmic ray energy spectra between 1 and 9 AU

The variation of the 5 to 500 MeV/nuc cosmic ray helium component was studied between 1 and 9 A.U. using essentially identical detector systems on Pioneer 10 and 11 and Helios I. Between 100 and 200 MeV/nuc a radial gradient of 3.3?1.3%/A.U. is found. At 15 MeV/nuc this value increases to 20?4%/A.U. Between 4 and 9 A.U. a well defined intensity maximum is observed at approximately 17 MeV/nuc. The average adiabatic energy loss between 1 and 9 A.U. is approximately 4 MeV/nuc/A.U. The observed radial variation between 1 and 9 A.U. is well described by the Gleeson-Axford force field solution of the modulation equations over an energy range extending from 15 to 500 MeV/nuc and is in good agreement with the results reported by other Pioneer experiments. These values are much smaller than had been theoretically predicted.

Mcdonald, F. B.↗
NASA NTRS1985

Further study on atmospheric lapse rate regimes

Lapse rate, moist adiabatic lapse rate and the critical lapse rate for baroclinic adjustment are calculated as was done by Stone and Carlson (1979) using a different data set covering both hemispheres. Results show very good agreement in low latitudes, where temperature lapse rate can be approximated by the moist adiabatic lapse rate. In midlatitudes of the Northern Hemisphere, the lapse rate agrees with the critical lapse rate for baroclinic adjustment. In midlatitudes of the Southern Hemisphere, the lapse rate follows the critical lapse rate for baroclinic adjustment with a 15-deg lag.

Yang, S.-K.↗
DOE OSTI2025

Inverse kinematics study of the energy levels of 21 Ne populated with the 20 Ne +𝑑 reaction

In recent years there has been significant experimental effort aimed at studying the impact of 16 O neutron poisoning on the weak 𝑠 process in rotating massive stars. Improving the understanding of energy levels in 21 Ne is crucial to reducing uncertainties in the rates of the 𝛼-induced reactions on 17 O that determine the overall efficiency of the weak 𝑠 process. This paper reports on one such experiment: a study of the 20 Ne (𝑑,𝑝)⁢ 21 Ne reaction in inverse kinematics. Deduced spin-parity assignments were made based on adiabatic distorted-wave approximation analysis and neutron partial widths were estimated by comparison with a previous experiment. Of particular significance for nuclear astrophysics is the resulting neutron partial width for the 7820-keV energy level, estimated to be 12 200 ⁢(2900)⁢ eV, and an upper limit of ≤ 9300 eV for that of the 7749-keV energy level. These results are in tension with previous studies and therefore this paper also discusses the current state of the research into the astrophysically relevant energy levels and highlights both areas of agreement and areas of disagreement between this and various other studies that have investigated this nucleus.

direct reactions↗