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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 NTRS1993

All-electron molecular Dirac-Hartree-Fock calculations - Properties of the group IV monoxides GeO, SnO, and PbO

Dirac-Hartree-Fock calculations have been carried out on the ground states of the group IV monoxides GeO, SnO and PbO. Geometries, dipole moments and infrared data are presented. For comparison, nonrelativistic, first-order perturbation and relativistic effective core potential calculations have also been carried out. Where appropriate the results are compared with the experimental data and previous calculations. Spin-orbit effects are of great importance for PbO, where first-order perturbation theory including only the mass-velocity and Darwin terms is inadequate to predict the relativistic corrections to the properties. The relativistic effective core potential results show a larger deviation from the all-electron values than for the hydrides, and confirm the conclusions drawn on the basis of the hydride calculations.

Dyall, Kenneth G.↗
DOE OSTI2025

Solution of the linear wave-particle kinetic equation for global modes of arbitrary frequency in a tokamak

The linear response of a plasma to perturbations of arbitrary frequency and wavelength is derived for any axisymmetric magnetized toroidal plasma. An explicit transformation to action-angle coordinates is achieved using orthogonal magnetic coordinates and the Littlejohn Lagrangian, establishing the validity of this result to arbitrary order in normalized Larmor radius. The global resonance condition for compressional modes is clarified in more detail than in previous works, confirming that the poloidal orbit-average of the cyclotron frequency gives the desired result at lowest order in Larmor radius. The global plasma response to the perturbation at each resonance is captured by a poloidal and gyroaverage of the perturbing potential. A “global gyroaveraging” of the potential is a natural by-product of this analysis which takes into account the changing of the magnetic field over an orbit. The resonance condition depends on two arbitrary integers which completely separately capture the effects poloidal non-uniformity and finite Larmor radius in generating sidebands. We learn that poloidal sidebands generated for compressional modes are dominated by the change in gyrofrequency over the orbit, which is very different to shear modes where the gyrofrequency only contributes via a finite Larmor radius effect. This increases the number of bounce harmonics required to compute the linear drive, giving a more complicated resonance map. An example calculation is given comparing resonance of shear and compressional modes in a published DIII-D case.

Compressional↗
DOE OSTI2020

BCS-BEC crossover in a (t 2g ) 4 excitonic magnet

The condensation of spin-orbit-induced excitons in t 2 g 4 electronic systems is attracting considerable attention. At large Hubbard U , antiferromagnetism was proposed to emerge from the Bose-Einstein Condensation (BEC) of triplons ( J eff = 1 ). Furthermore, we show that even at intermediate U regimes, the spin-orbit exciton condensation is possible leading also to staggered magnetic order. The canonical electron-hole excitations (excitons) transform into local triplon excitations at large U , and this BEC strong coupling regime is smoothly connected to the intermediate U excitonic insulator region. We solved the degenerate three-orbital Hubbard model with spin-orbit coupling ( λ ) in one dimension using the density matrix renormalization group, while in two dimensions we use the Hartree-Fock approximation (HFA). Employing these techniques, we provide the full λ versus U phase diagrams for both one- and two-dimensional lattices. Our main result is that at intermediate Hubbard U , increasing λ at fixed U the system transitions from an incommensurate spin-density-wave metal to a Bardeen-Cooper-Schrieffer (BCS) excitonic insulator, with coherence length r coh of O ( a ) and O ( 10 a ) in 1 d and 2 d , respectively, with a being the lattice spacing. Further increasing λ , the system eventually crosses over to the BEC limit (with r coh ≪ a ).

1-dimensional systems↗
NASA NTRS1993

An improved gravity model for Mars: Goddard Mars Model 1

Doppler tracking data of three orbiting spacecraft have been reanalyzed to develop a new gravitational field model for the planet Mars, Goddard Mars Model 1 (GMM-1). This model employs nearly all available data, consisting of approximately 1100 days of S band tracking data collected by NASA's Deep Space Network from the Mariner 9 and Viking 1 and Viking 2 spacecraft, in seven different orbits, between 1971 and 1979. GMM-1 is complete to spherical harmonic degree and order 50, which corresponds to a half-wavelength spatial resolution of 200-300 km where the data permit. GMM-1 represents satellite orbits with considerably better accuracy than previous Mars gravity models and shows greater resolution of identifiable geological structures. The notable improvement in GMM-1 over previous models is a consequence of several factors: improved computational capabilities, the use of otpimum weighting and least squares collocation solution techniques which stabilized the behavior of the solution at high degree and order, and the use of longer satellite arcs than employed in previous solutions that were made possible by improved force and measurement models. The inclusion of X band tracking data from the 379-km altitude, nnear-polar orbiting Mars Observer spacecraft should provide a significant improvement over GMM-1, particularly at high latitudes where current data poorly resolve the gravitational signature of the planet.

Smith, D. E.↗
NASA NTRS1993

An improved gravity model for Mars: Goddard Mars Model-1 (GMM-1)

Doppler tracking data of three orbiting spacecraft have been reanalyzed to develop a new gravitational field model for the planet Mars, GMM-1 (Goddard Mars Model-1). This model employs nearly all available data, consisting of approximately 1100 days of S-bank tracking data collected by NASA's Deep Space Network from the Mariner 9, and Viking 1 and Viking 2 spacecraft, in seven different orbits, between 1971 and 1979. GMM-1 is complete to spherical harmonic degree and order 50, which corresponds to a half-wavelength spatial resolution of 200-300 km where the data permit. GMM-1 represents satellite orbits with considerably better accuracy than previous Mars gravity models and shows greater resolution of identifiable geological structures. The notable improvement in GMM-1 over previous models is a consequence of several factors: improved computational capabilities, the use of optimum weighting and least-squares collocation solution techniques which stabilized the behavior of the solution at high degree and order, and the use of longer satellite arcs than employed in previous solutions that were made possible by improved force and measurement models. The inclusion of X-band tracking data from the 379-km altitude, near-polar orbiting Mars Observer spacecraft should provide a significant improvement over GMM-1, particularly at high latitudes where current data poorly resolves the gravitational signature of the planet.

Smith, D. E.↗
DOE OSTI2022

Spin transport modified by magnetic order

Spintronics has developed over the years from initially generating spin-polarized charge currents from exchange interaction in ferromagnets, into a more general concept, where electronic spin current can be generated and manipulated by spin–orbit interactions and in addition magnonic spin currents can occur in magnetically ordered materials even if they are insulating. Thus the interplay between spin transport and magnetic order has been a very active research field, which has developed many new ideas, such as thermal spin transport and electronic spin currents with unusual symmetries generated by magnetically ordered materials. This article discusses a few selected examples in order to illustrate some of the complexities that can be encountered in these systems. A particular focus is on the contributions from Chia-Ling Chien and his research group, who often explored many of the topics at the forefront of spintronics research, while critically examining unproven assumptions made by other researchers in the field.

36 MATERIALS SCIENCE↗
NASA NTRS1984

Morphology of buried craters: Lava thickness estimates by simulated flooding

Partially and completely buried craters on planetary surfaces are used as probes to determine the thickness and extent of the overlying material as well as the composition of underlying terrain units. Rims of craters protruding through mare basalts on the Moon have been used extensively by DeHon (1977, 1979) to develop isopach maps of both the circular and irregular maria. Such estimates are possible because of Apollo topographic data and the extensive coverage by Lunar Orbiter photographs at various sun angles. On planetary surfaces without such data, however, shadow measurements can only be made by pixel listings with appropriate assumptions concerning support data. In addition, high resolution geochemical data is not available to determine whether the exposed crater rim is composed of material dissimilar from the lavas. Because of the need for lava thickness data, flooding of lunar mare and highland craters was simulated in order to determine empirical relationships between dimensions observed in orbital images and the thickness of the lava.

Maxwell, T. A.↗
DOE OSTI2021

Geodesic motion around hairy black holes

In a recent paper Ovalle et al. (2021) it has been obtained new static black hole solutions with primary hairs by the Gravitational Decoupling. In this work we either study the geodesic motion of massive and massless particles around those solutions and restrict the values of the primary hairs by observational data. In particular, we obtain the effective potential, the innermost stable circular orbits, the marginally bounded orbit, and the periastron advance for time-like geodesics. In order to restrict the values taken by the primary hairs we explore their relationship with the rotation parameter of the Kerr black hole giving the same innermost stable circular orbit radius and give the numerical values for the supermassive black holes at Ark 564 and NGC 1365. The photon sphere and the impact parameter associated to null geodesics are also discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Anion photoelectron spectroscopy and chemical bonding of ThS 2 – and ThSO –

Anion photoelectron spectra of ThSO – and ThS 2 – were recorded using the third (355 nm) harmonic of an Nd-YAG laser; these provided the measured vertical detachment energies of each anion. The experiments are supported by extensive coupled cluster calculations on ThSO, ThSO – , ThS 2 , and ThS 2 – , as well as the oxygen congeners ThO 2 and ThO 2 – . The ab initio calculations, which included complete basis set extrapolations, spin–orbit effects using four-component coupled cluster, and higher-order correlation contributions through CCSDT(Q), yielded an adiabatic electron affinity for ThO 2 – that was within 0.02 eV of the previously determined experimental value. The singly occupied molecular orbital (SOMO) in all three anions corresponds primarily to the 7s orbital on Th. Successive substitution of S for each O in ThO 2 leads to larger electron affinities and smaller bond angles in the neutral molecules, but larger angles in the anions. As demonstrated by Franck–Condon simulations of the spectra using the CCSD(T) spectroscopic constants, substitution of O by S significantly complicates the resulting detachment spectra due to the lower vibrational frequencies in the sulfur species. Altogether the calculated vertical detachment energies are in very good agreement with the experiment. In addition to the adiabatic electron affinities of each species, atomization energies and heats of formation have also been determined via the FPD approach with expected uncertainties of 1–2 kcal/mol.

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

High-performance permanent-magnet materials based on CeFe 12

We perform first-principles calculations on the Mo/Zr-alloyed ThMn 12 -structure prototype CeFe 12 to explore its electronic and magnetic properties and potential for permanent magnet applications. A recent experiment has shown that the Mo/Zr-alloyed CeFe 12 phase with the symmetry 𝐼⁢4/𝑚⁢𝑚⁢𝑚 can be stabilized in bulk. It encourages an investigation into the intrinsic magnetic characteristics of the base structure CeFe 12 and the effect of transition metal alloying in it. Our calculations reveal that the base structure prototype CeFe 12 in its tetragonal phase exhibits uniaxial magnetic anisotropy with a magnetic anisotropy energy (𝐾 1 ) ∼ 1 MJ/m −3 and a substantial magnetic moment of ∼ 1.8T, showing its promise as a permanent magnet. The introduction of the stabilizing transition metals Zr, Mo, and W reduces these values but still keeps the materials very promising. Notably, when 50% of Ce is substituted by Sm in Mo-alloyed CeFe 12 , the 𝐾 1 is significantly enhanced, accompanied by a fairly decent magnetic moment of ∼ 1.2T. These findings establish this alloy as a strong candidate for high-performance permanent magnet applications. In conclusion, this study emphasizes the importance of strategic element substitution and site selection in transition metal-alloyed CeFe 12 to achieve both structural stability and remarkable magnetic properties.

Density of states↗
NASA NTRS1972

Thermal positive ions in the outer ionosphere and magnetosphere from Ogo 1.

Study of the positive thermal ion densities measured with a spherical electrostatic analyzer aboard OGO 1 between September and October, 1964. A high variability of charged-particle distributions is established within and beyond the plasmapause boundary. The density gradient was in an inverse relation to the plasmapause L position and was consistently about one order of magnitude higher for the afternoon sector orbits than for the nightside orbits. Irregularities of different types were observed in the positive thermal ion densities within the plasmasphere and outside it, showing no correlation with the magnetic activity level. A delay of 3 to 9 hr was observed in the movement of the plasmapause following an increase in the magnetic activity level on the nightside.

Ahmed, M.↗
NASA NTRS1972

Perturbation guidance for minimum time flight paths of spacecraft.

The problem of transferring a rocket vehicle from a given circular orbit to a larger coplanar circular orbit in minimum time, using a constant low-thrust rocket engine, is considered. Parameters are chosen to correspond to a transfer from the earth's orbit in heliocentric space to the orbit of Mars. A path satisfying the first order necessary conditions of variational calculus is shown to be locally minimizing by application of a set of second order conditions. A physical explanation is offered to justify the retrothrust period occurring during the flight. A neighboring optimum feedback control law, based on estimated time-to-go, is applied to this problem. State variable and terminal constraint feedback gains are calculated while one of the second order conditions, involving the backward integration of a matrix Riccati equation, is being tested.

Wood, L. J.↗
NASA NTRS1973

Photoheliograph thermal concepts study. Volume 2: Detailed analysis

The photoheliograph thermal concepts study which was to define and compare the performance of thermal subsystem concepts for each of three photoheliograph designs oriented toward unique solar observation missions is reported. These design and missions are categorized as: (1) A 150-centimeter photoheliograph for large solar observatory (LSO) missions. This design is intended for multiyear orbital operations as a part of a complement of solar telescopes in a free-flying LSO configuration. (2) A 100-centimeter photoheliograph for shuttle sorties. This design is intended for observation periods of up to 2 weeks while mounted in the cargo bay of the shuttle orbiter vehicle. (3) A 100-centimeter photoheliograph for balloon missions. This design is intended to be a design verification unit and precursor to the orbital flight designs. Mission duration is on the order of a single day at an altitude of approximately 24.4 kilometers. For each of these photoheliograph designs, the basic thermal environments, boundary conditions, and applicable thermal control concepts were defined and the interactions between concepts and environments were determined. A baseline thermal control concept was selected for the three classes of photoheliographs described.

Source record↗
NASA NTRS1973

Broadband ultraviolet reflectance filters for space applications.

It is shown that a simple metal-dielectric-metal filter for broadband ultraviolet (BUV) reflectance control can provide a stable and effective means for reducing stray visible radiation in UV reflective optical systems. The application of such a filter in a BUV instrument resulted in a reduction of scattered visible light by at least an order of magnitude. The instrument has been in orbit for 2.5 year without loss of sensitivity or an increase in scattered light background.-

Osantowski, J. F.↗
NASA NTRS1977

Space station systems analysis study. Part 2, Volume 2

Specific system options are defined and identified for a cost effective space station capable of orderly growth with regard to both function and orbit location. Selected program options are analyzed and configuration concepts are developed to meet objectives for the satellite power system, earth servicing, space processing, and supporting activities. Transportation systems are analyzed for both LEO and GEO orbits.

Source record↗
NASA NTRS1978

Theoretical study of collinear Be + FH/nu1/ yields BeF/nu2/ + H

The potential energy surface for collinear Be + FH yields BeF + H was studied at various levels of ab initio approximation. A final surface was obtained from a first order configuration interaction wave function, using the iterative orbital method and a medium-sized basis of Slater atomic functions. The exothermicity is computed to be 6 kcal/mole; the barrier height is predicted to be about 28 kcal/mole at a geometry where both internuclear separations are extended by about 0.4 bohr from their asymptotic equilibrium values. This surface differs qualitatively from simple LEPS models.

Schor, H.↗
NASA NTRS1981

Multistep integration formulas for the numerical integration of the satellite problem

The use of two Class 2/fixed mesh/fixed order/multistep integration packages of the PECE type for the numerical integration of the second order, nonlinear, ordinary differential equation of the satellite orbit problem. These two methods are referred to as the general and the second sum formulations. The derivation of the basic equations which characterize each formulation and the role of the basic equations in the PECE algorithm are discussed. Possible starting procedures are examined which may be used to supply the initial set of values required by the fixed mesh/multistep integrators. The results of the general and second sum integrators are compared to the results of various fixed step and variable step integrators.

Lundberg, J. B.↗