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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
NASA NTRS1975

Proton collisional excitation in the ground configurations of Fe/+12/ and Fe/+13/. III - Transitions between magnetic sublevels

Values of proton collisional cross-sections at coronal energies have been computer for all transitions between magnetic sublevels of the Fe(+12) and Fe(+13) ground configurations. Semiclassical Coulomb excitation theory was used with the resulting truncated Schroedinger equations being directly integrated. The corresponding rate constants for coronal temperatures are presented and comparison is made with previous results.

Landman, D. A.↗
NASA NTRS1981

Parallax and atmospheric scattering effects on the inversion of satellite auroral observations

A technique for the inversion of satellite auroral brightness observations is developed, which takes into account the backscattering of light from the snow-covered ground and atmospheric scattering. The theory includes parallax effects. Parallax arises when a point in the aurora is observed from different angles against a background with a variable brightness. It is shown that observations from a spinning satellite at any given angle from nadir are sufficient to recover the auroral form.

Abreu, V. J.↗
NASA NTRS1993

Franck-Condon factors for photodetachment from LiO(-), NaO(-), and KO(-)

The 1Sigma(+), 3Sigma(+), 1Pi, and 3Pi states of the negative ions and the 2Pi and 2Sigma(+) states of the neutral alkali oxides are studied at high levels of theory. The calculations show that ground state of the negative ions changes from 3Pi for LiO(-) to 1Sigma(+) for KO(-). Although the calculations give a 3Pi ground state for NaO(-), we cannot rule out the possibility that the very low-lying 1Sigma(+) state is the true ground state. The Franck-Condon factors for photodetachment of an electron from the 1Sigma(+) and/or 3Pi states of the negative ion are presented to help interpret photodetachment experiments. Our best results for the A 2Sigma(+) - X 2Pi separations in LiO and NaO are 2496 and 2061/cm, which are in excellent agreement with that deduced (2516 and 2018/cm) from experiment.

Bauschlicher, Charles W., Jr.↗
NASA NTRS2000

SHIVA: Spaceflight Holography Investigation in a Virtual Apparatus

SHIVA, a NASA spaceflight program, will exploit a unique, holography-based, diagnostics tool to test and apply a new, more general analytical solution to a fundamental equation of motion. The equation describes particle dynamics in fluids in a microgravity environment, and our solution represents the first analytical solution of it. When gravity is removed the equation becomes much more complex and had been solved previously only by numerical means. After our analytical solution has been validated it will be used as a tool for making additional measurements of the gravity environment. Our experiment will be optimized for testing the model, measuring g, g-jitter, and other microgravity phenomena. We will also collect data for which no current theory exists, This paper describes ground experiments and analysis that have been conducted by the investigator team to support the flight experiment.

Trolinger, James D.↗
NASA NTRS2021

Dynamics of the Terrestrial Radiation Belts: a Review of Recent Results During the VarSITI (Variability of the Sun and Its Terrestrial Impact) Era, 2014–2018

The Earth’s magnetosphere is region that is carved out by the solar wind as it flows past and interacts with the terrestrial magnetic field. The inner magnetosphere is the region that contains the plasmasphere, ring current, and the radiation belts all co-located within about 6.6 Re, nominally taken to be bounding this region. This region is highly dynamic and is home to a variety of plasma waves and particle populations ranging in energy from a few eV to relativistic and ultra-relativistic electrons and ions. The interplanetary magnetic field (IMF) embedded in the solar wind via the process of magnetic reconnection at the sub-solar point sets up plasma convection and creates the magnetotail. Magnetic reconnection also occurs in the tail and is responsible for explosive phenomena known as substorms. Substorms inject low-energy particles into the inner magnetosphere and help generate and sustain plasma waves. Transients in the solar wind such as coronal mass ejections (CMEs), co-rotating interaction regions (CIRs), and interplanetary shocks compress the magnetosphere resulting in geomagnetic storms, energization, and loss of energetic electrons in the outer radiation belt and enhance the ring current, thereby driving the geomagnetic dynamics. The Specification and Prediction of the Coupled Inner-Magnetospheric Environment (SPeCIMEN) is one of the four elements of VarSITI (Variability of the Sun and Its Terrestrial Impact) program which seeks to quantitatively predict and specify the inner magnetospheric environment based on Sun/solar wind driving inputs. During the past 4 years, the SPeCIMEN project has brought together scientists and researchers from across the world and facilitated their efforts to achieve the project goal. This review provides an overview of some of the significant scientific advances in understanding the dynamical processes and their interconnectedness during the VarSITI era. Major space missions, with instrument suites providing in situ measurements, ground-based programs, progress in theory, and modeling are briefly discussed. Open outstanding questions and future directions of inner magnetospheric research are explored.

Shrikanth Kanekal↗
NASA NTRS1974

Approximate spin projection of three-component UHF wavefunctions - The states of the pentachlorocyclopentadienyl cation and the croconate dianion, C5O5/2-/

The approximate spin projection method of Amos et al. is extended to handle UHF wave functions having three significant components of differing multiplicity. An expression is given for the energy after single annihilation which differs from that of Amos and Hall. The new expression reproduces the results obtained from a previous exact calculation for which the weights and energies of the components are known. The extended approximate projection method is applied to the pi-electron UHF wave functions for the ground states of the pentachlorocyclopentadienyl cation and the croconate dianion, C5O5(2-). The results indicate a triplet ground state for the former and a singlet ground state for the latter, in agreement with experimental ESR susceptibility measurements for these molecular ions. C5C15(-) cannont be treated by restricted Hartree-Fock theory, due to its open-shell ground state. Incorrect results are obtained for the croconate dianion, if restricted Hartree-Fock theory and singly excited configuration interactions are utilized.

Phillips, D. H.↗
DOE OSTI2023

Spin-orbital correlations from complex orbital order in MgV 2⁢ O 4

MgV 2 ⁢O 4 is a spinel based on magnetic V 3+ ions, which host both spin (𝑆 = 1) and orbital (𝑙 eff = 1) moments. Owing to the underlying pyrochlore coordination of the magnetic sites, the spins in MgV 2 ⁢O 4 only antiferromagnetically order once the frustrating interactions imposed by the 𝐹⁡𝑑⁢$\overline{3}$⁢𝑚 lattice are broken through an orbitally-driven structural distortion at T 𝑆 ≃ ⁢60 K. Consequently, a Néel transition occurs at T 𝑁 ≃ ⁢40 K. Low-temperature spatial ordering of the electronic orbitals is fundamental to both the structural and magnetic properties; however, considerable discussion on whether it can be described by complex or real orbital ordering is ambiguous. We apply neutron spectroscopy to resolve the nature of the orbital ground state and characterize hysteretic spin-orbital correlations using x-ray and neutron diffraction. Neutron spectroscopy finds multiple excitation bands and we parametrize these in terms of a multilevel (or excitonic) theory based on the orbitally degenerate ground state. Meaningful for the orbital ground state, we report an “optical-like” mode at high energies that we attribute to a crystal-field-like excitation from the spin-orbital 𝑗 eff = 2 ground-state manifold to an excited 𝑗 eff =1 energy level. We parametrize the magnetic excitations in terms of a Hamiltonian with spin-orbit coupling and local crystalline electric field distortions resulting from deviations from perfect octahedra surrounding the V 3+ ions. We suggest that this provides compelling evidence for complex orbital order in MgV 2⁢ O 4 . We then apply the consequences of this model to understand hysteretic effects in the magnetic diffuse scattering where we propose that MgV 2⁢ O 4 displays a high-temperature orbital memory of the low-temperature spin order.

Frustrated magnetism↗
NASA NTRS1979

A theoretical investigation of ground effects on USB configurations

A formulation predicts the variation of circulation forces and jet reaction forces in ground proximity as a function of ground height. The predicted results agree well with available experimental data. It is shown that the wing-alone theory is not capable of predicting the ground effect for USB configurations.

Lan, C. E.↗
DOE OSTI2023

Symmetry-resolved entanglement entropy, spectra & boundary conformal field theory

We perform a comprehensive analysis of the symmetry-resolved (SR) entanglement entropy (EE) for one single interval in the ground state of a 1 + 1D conformal field theory (CFT), that is invariant under an arbitrary finite or compact Lie group, G. We utilize the boundary CFT approach to study the total EE, which enables us to find the universal leading order behavior of the SREE and its first correction, which explicitly depends on the irreducible representation under consideration and breaks the equipartition of entanglement. We present two distinct schemes to carry out these computations. The first relies on the evaluation of the charged moments of the reduced density matrix. This involves studying the action of the defect-line, that generates the symmetry, on the boundary states of the theory. This perspective also paves the way for discussing the infeasibility of studying symmetry resolution when an anomalous symmetry is present. The second scheme draws a parallel between the SREE and the partition function of an orbifold CFT. This approach allows for the direct computation of the SREE without the need to use charged moments. From this standpoint, the infeasibility of defining the symmetry-resolved EE for an anomalous symmetry arises from the obstruction to gauging. Finally, we derive the symmetry-resolved entanglement spectra for a CFT invariant under a finite symmetry group. We revisit a similar problem for CFT with compact Lie group, explicitly deriving an improved formula for U(1) resolved entanglement spectra. Using the Tauberian formalism, we can estimate the aforementioned EE spectra rigorously by proving an optimal lower and upper bound on the same. In the abelian case, we perform numerical checks on the bound and find perfect agreement.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Winding θ and destructive interference of instantons

While the θ dependence of field theories is 2π periodic, the ground-state wavefunctions at θ and θ + 2π often belong to different classes of symmetry-protected topological states. When this is the case, a continuous change of the θ parameter can introduce an interface that supports a nontrivial field theory localized on the wall. We consider the 2d CP N-1 sigma model as an example and construct a weak-coupling setup of this interface theory by considering the small S1 compactification with nonzero winding θ parameter and a suitable symmetry-twisted boundary condition. This system has N classical vacua connected by fractional instantons, but the anomaly constraint tells us that the fractional-instanton amplitudes should vanish completely to have N-fold degeneracy at the quantum level. We show how this happens in this purely bosonic system, uncovering that the integration over the zero modes annihilates the fractional instanton amplitudes, in sharp contrast to what happens when the θ angle is constant. Moreover, we provide another explanation of this selection rule by showing that the N perturbative vacua acquire different charges under the global symmetry with the activation of the winding θ angle. We also demonstrate a similar destructive interference between instanton effects in the CP N-1 quantum mechanics with the Berry phase.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1971

Electromagnetic compatibility design guideline for STADAN

Procedures for achieving electromagnetic compatibility in electronic and electrical equipment for aerospace ground stations are investigated. The application of shielding theory to good design is treated and standards of good practice are outlined for bonding, grounding, wiring, and cabling. Some aspects of filter design are explained, and suggestions are given for the application of filters to electronic and electrical equipment.

Cowdell, R. B.↗
DOE OSTI2020

Thermodynamics of Uranium Tri-Iodide from Density-Functional Theory

Density-functional theory (DFT) is employed to investigate the thermodynamic and ground-state properties of bulk uranium tri-iodide, UI3. The theory is fully relativistic and electron correlations, beyond the DFT and generalized gradient approximation, are addressed with orbital polarization. The electronic structure indicates anti-ferromagnetism, in agreement with neutron diffraction, with band gaps and a non-metallic system. Furthermore, the formation energy, atomic volume, crystal structure, and heat capacity are calculated in reasonable agreement with experiments, whereas for the elastic constants experimental data are unavailable for comparison. The thermodynamical properties are modeled within a quasi-harmonic approximation and the heat capacity and Gibbs free energy as functions of temperature agree with available calculation of phase diagram (CALPHAD) thermodynamic assessment of the experimental data.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Symmetry-projected cluster mean-field theory applied to spin systems

We introduce S z spin-projection based on cluster mean-field theory and apply it to the ground state of strongly correlated spin systems. In cluster mean-fields, the ground state wavefunction is written as a factorized tensor product of optimized cluster states. In previous work, we have focused on unrestricted cluster mean-field, where each cluster is S z symmetry adapted. We here remove this restriction by introducing a generalized cluster mean-field (GcMF) theory, where each cluster is allowed to access all S z sectors, breaking S z symmetry. In addition, a projection scheme is used to restore global S z , which gives rise to the S z spin-projected generalized cluster mean-field (S z GcMF). Both of these extensions contribute to accounting for inter-cluster correlations. We benchmark these methods on the 1D, quasi-2D, and 2D J 1 – J 2 and XXZ Heisenberg models. Furthermore, our results indicate that the new methods (GcMF and S z GcMF) provide a qualitative and semi-quantitative description of the Heisenberg lattices in the regimes considered, suggesting them as useful references for further inter-cluster correlations, which are discussed in this work.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Ab Initio Electron-Phonon Interactions in Correlated Electron Systems

Electron-phonon ( e - ph ) interactions are pervasive in condensed matter, governing phenomena such as transport, superconductivity, charge-density waves, polarons, and metal-insulator transitions. First-principles approaches enable accurate calculations of e - ph interactions in a wide range of solids. However, they remain an open challenge in correlated electron systems (CES), where density functional theory often fails to describe the ground state. Therefore reliable e - ph calculations remain out of reach for many transition metal oxides, high-temperature superconductors, Mott insulators, planetary materials, and multiferroics. Here we show first-principles calculations of e - ph interactions in CES, using the framework of Hubbard-corrected density functional theory ( DFT + U ) and its linear response extension ( DFPT + U ), which can describe the electronic structure and lattice dynamics of many CES. We showcase the accuracy of this approach for a prototypical Mott system, CoO, carrying out a detailed investigation of its e - ph interactions and electron spectral functions. While standard DFPT gives unphysically divergent and short-ranged e - ph interactions, DFPT + U is shown to remove the divergences and properly account for the long-range Fröhlich interaction, allowing us to model polaron effects in a Mott insulator. Our work establishes a broadly applicable and affordable approach for quantitative studies of e - ph interactions in CES, a novel theoretical tool to interpret experiments in this broad class of materials.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

(2+1)-dimensional compact Lifshitz theory, tensor gauge theory, and fractons

The (2+1)-dimensional continuum Lifshitz theory of a free compact scalar field plays a prominent role in a variety of quantum systems in condensed matter physics and high energy physics. It is known that in compact space, it has an infinite ground-state degeneracy. In order to understand this theory better, we consider two candidate lattice regularizations of it using the modified Villain formalism. We show that these two lattice theories have significantly different global symmetries (including a dipole global symmetry), anomalies, ground-state degeneracies, and dualities. In particular, one of them is self-dual. Given these theories and their global symmetries, we can couple them to corresponding gauge theories. Here, these are two different U(1) tensor gauge theories. The resulting models have excitations with restricted mobility, i.e., fractons. Finally, we give an exact lattice realization of the fracton and lineon-elasticity dualities for the Lifshitz theory, and scalar and vector charge gauge theories.

2-dimensional systems↗
NASA NTRS1990

The program on radiative inputs of the sun to the Earth (rise)

General concerns about changes in the Earth's climate and in the ozone layer have increased the importance of measuring and understanding variations in the sun's radiative outputs. These outputs appear, for instance, at the top of the list of global change forcing agents in the recent FY-90 document on the U.S. Global Change Program. Significant advances have been made over the past decade in radiometry of the total solar irradiance. Photometry of light variations in stars similar to the sun, but much younger, is providing new insights into the sun's variations in luminosity and UV radiation at previous epochs of interest to paleoclimate studies. Measurement of the sun's 11-year output variability in the ultraviolet and extreme ultraviolet still possess a challenge of great importance. All of these topics are addressed by the program on Radiative Inputs of the Sun to Earth (RISE). RISE is a 5-year program of observations, data analysis, and theory, that has been defined at two workshops held in Boulder, Colorado in November 1987, and in Tucson, Arizona in October 1989. These meetings involved about 60 solar and atmospheric physicists, and stellar astronomers. A proceedings of the 1987 workshop was issued in early 1988. A substantial component of the program, consisting of ground-based observations, data analysis, and theory, is directed at the National Science Foundation (NSF) and the program is seeking a FY-92 funding start at the NSF. RISE also makes recommendations on measurements required from NASA and NOAA satellites.

Foukal, Peter V.↗