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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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
NASA NTRS1994

Variability of dayside electron temperature at Venus

Langmuir probe measurements on Pioneer Venus Orbiter show that electron temperature (Te) profiles exhibit two distinct regions. The lower, but more extended region is in the main ionosphere where Te increases slowly with altitude. The other, less extended region is in the ionopause, where Te rise sharply with altitude. If horizontal magnetic fields and flux ropes in the ionosphere inhibit vertical thermal conductivity sufficiently, then the observed Te profile could be explained with EUV as the major heat source (Cravens et al., 1980). The rise in Te in the ionopause region has generally been attributed to solar wind heating (Brace and Kliore, 1991). We suggest that this sharp rise in Te is due primarily to the steep fall in electron density, Ne. If the heating rate is essentially unchanged and heat conduction is not of primary importance, then a steep rise in Te will maintain a constant electron cooling rate for a steeply falling Ne. We have observed large orbit to orbit variations in Te in the ionopause region which are found to be inversely related to changes in Ne. Variations in solar wind dynamic pressure do not seem to have a direct effect on Te, rather the effect is indirect coming through the sharp decrease in Ne.

Mahajan, K. K.↗
DOE OSTI2025

Ground and excited state properties of ThB − and ThB: a theoretical study

In the present work, we studied a series of electronic and spin–orbit states of ThB − and ThB using high-level multireference and coupled-cluster theories. We report the potential energy curves (PECs), equilibrium electron configurations, spectroscopic constants, energetics, and spin–orbit coupling effects of 17 and 19 electronic states of ThB − and ThB, respectively. The ground state of ThB − is a single-reference 1 3 Π with a 1σ 2 2σ 2 3σ 1 1π 3 electron configuration. Detachment of an electron from the doubly occupied 1π orbital of ThB − (1 3 Π) produces the single-reference ground electronic state of ThB (1 4 Σ − ). The ground spin–orbit states of ThB − and of ThB are 1 3 Π + 0 and 1 4 Σ − 3/2 , respectively. The vertical electron detachment energy (VDE) of ThB − and the adiabatic electron attachment energy (AEA) of ThB at our largest CBS-C-CCSD(T)+δT(Q)+δSO (complete basis set effect, spin–orbit effect, and triple and perturbative quadruple electron correlation effect added coupled-cluster theory with single, double, and perturbative triple excitations) level are 1.473 eV and 1.459, respectively. The reaction of Th( 3 F) + B( 2 P o ) produces the ground state of ThB with a bond energy of 2.843 eV. Finally, we estimated a heat of formation, Δ H 0 f (298 K), of 891.01 kJ mol −1 for the ThB molecule. The high-level findings of this work are expected to aid and motivate future experimental spectroscopic investigations of ThB and ThB − species.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Prediction of orbital-selective Mott phases and block magnetic states in the quasi-one-dimensional iron chain Ce 2 O 2 FeSe 2 under hole and electron doping

The recent detailed study of quasi-one-dimensional iron-based ladders, with the 3d iron electronic density n=6, has unveiled surprises, such as orbital-selective phases. However, similar studies for n=6 iron chains are still rare. Here a three-orbital electronic Hubbard model was constructed to study the magnetic and electronic properties of the quasi-one-dimensional n=6 iron chain Ce 2 O 2 FeSe 2 , with focus on the effect of doping. Specifically, introducing the Hubbard U and Hund J H couplings and studying the model via the density matrix renormalization group, we report the ground-state phase diagram varying the electronic density away from n=6. For the realistic Hund coupling J H /U=1/4, several electronic phases were obtained, including a metal, orbital-selective Mott, and Mott insulating phases. Doping away from the parent phase, the competition of many tendencies leads to a variety of magnetic states, such as ferromagnetism, as well as several antiferromagnetic and magnetic “block” phases. In the hole-doping region, two different interesting orbital-selective Mott phases were found: OSMP1 (with one localized orbital and two itinerant orbitals) and OSMP2 (with two localized orbitals and one itinerant orbital). Moreover, charge disproportionation phenomena were found in special doping regions. We argue that our predictions can be tested by simple modifications in the original chemical formula of Ce 2 O 2 FeSe 2 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Flavour-selective localization in interacting lattice fermions

Abstract A large repulsion between particles in a quantum system can lead to their localization, an effect responsible for the Mott insulator phases in strongly correlated materials. In a system with multiple orbitals, an orbital-selective Mott insulator can form, where electrons in some orbitals are predicted to localize while others remain itinerant. Here we demonstrate a more general version of this phenomenon by observing flavour-selective localization in an atom-based quantum simulator. Our experiment realizes Fermi–Hubbard models with an SU(3) symmetry that can be broken using a tunable coupling between flavours. We observe an enhancement of the localization associated with a selective Mott transition and the emergence of flavour-dependent correlations. Our realization of flavour-selective Mott physics demonstrates the potential of cold atoms to simulate interacting multicomponent materials such as superconductors and topological insulators.

Physics↗
NASA NTRS1991

Current collection by conducting bodies in the low earth orbit

Collection of electrons by a conducting cylinder in a flowing magnetized plasma is studied by means of numerical simulations. Transport of electrons across magnetic field lines in regions of large electric fields in the sheath structure of the cylinder is demonstrated. The potential structures, current flow in the plasma and plasma distributions around the cylinder are presented with and without a release of a neutral gas plume near the cylinder. The simulation with the plume shows current enhancement and formation of a double layer, which is found to be highly dynamic. The simulation with the neutral gas plume simulates the plasma processes occurring in a plasma contactor.

Singh, Nagendra↗
NASA NTRS1995

Storing Data In Circulating Electrons

Proposed memory device contains electrons traveling in circular orbit in vacuum. Orientations of electron spins (up or down) represents binary ones or zeros, respectively. Assuming length of each memory element 100 times classical fictitious electron radius, device theoretically capable of storing 446 gigabytes of data per meter of circumference of orbit.

Eastman, Ted R.↗
NASA NTRS1986

An inadvertent capture cell for orbital debris and micrometeorites - The main electronics box thermal blanket of the solar maximum satellite

The physical properties of impact features in the Solar Max main electronics box thermal blanket are consistent with hypervelocity impacts of particles in the near-earth space environment. The majority of particles are orbital debris and include spacecraft paints and bismuth-rich particles. At least 30 percent of all impact features are caused by micrometeorites, which include silicates and sulfides. Some micrometeorites survive impact with only minor shock-metamorphic effects or chemical fractionation. Currently calibration experiments are under way to relate flux to particle diameter (or mass).

Rietmeijer, F. J. M.↗
DOE OSTI2024

An Adsorptive Membrane Platform for Precision Ion Separation: Membrane Design and First‐Principles Studies

One of the key challenges in separation science is the lack of precise ion separation methods and mechanistic understanding crucial for efficiently recovering critical materials from complex aqueous matrices. Herein, first-principles electronic structure calculations and in situ Raman spectroscopy are studied to elucidate the factors governing ion discrimination in an adsorptive membrane specifically designed for transition metal ion separation. Density functional theory calculations and in situ Raman data jointly reveal the thermodynamically favorable binding preferences and detailed adsorption mechanisms for competing ions. How membrane binding preferences correlate with the electronic properties of ligands is explored, such as orbital hybridization and electron localization. The findings underscore the importance of the phenolate group in oxime ligands for achieving high selectivity among competing transition metal ions. In-depth understanding on which specific atomistic site within the microenvironment of metal-ligand binding pockets governs the ion discrimination behaviors of the host will build a solid foundation to guide the rational design of next-generation materials for precision separation essential for energy technologies and environment remediation. In tandem, synthetic controllability is demonstrated to transform 3D micrometer-scale crystals to a 2D crystalline selective layer in membranes, paving the way for more precise and sustainable advances in separation science.

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

Tuning the magnetic properties of the spin-split antiferromagnet MnTe through pressure

The hexagonal antiferromagnet MnTe has attracted enormous interest as a prototypical example of a spin-compensated magnet in which the combination of crystal and spin symmetries lifts the spin degeneracy of the electron bands without the need for spin-orbit coupling, a phenomenon called nonrelativistic spin splitting (NRSS). Subgroups of NRSS are determined by the specific spin-interconverting symmetry that connects the two opposite-spin sublattices. In MnTe, this symmetry is rotation, leading to the subgroup with spin splitting away from the Brillouin zone center, often called altermagnetism. MnTe also has the largest spontaneous magnetovolume effect of any known antiferromagnet, implying strong coupling between the magnetic moment and volume. This magnetostructural coupling offers a potential knob for tuning the spin-splitting properties of MnTe. Here, we use neutron diffraction with in situ applied pressure to determine the effects of pressure on the magnetic properties of MnTe and further explore this magnetostructural coupling. We find that applying pressure significantly increases the Néel temperature, but decreases the ordered magnetic moment. We explain this as a consequence of strengthened magnetic exchange interactions under pressure, resulting in higher 𝑇 N , with a simultaneous reduction of the local moment of individual Mn atoms, described here via density functional theory. This reflects the increased orbital hybridization and electron delocalization with pressure. In conclusion, these results shed light on the competition between magnetic exchange interactions and the strength of individual magnetic moments and show that the magnetic properties of MnTe can be controlled by pressure, opening the door to improved properties for spintronic applications through tuning via physical or chemical pressure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Anisotropic effect of a magnetic field on the neutron spin resonance in FeSe

We use inelastic neutron scattering to study the effect of a magnetic field on the neutron spin resonance (E r = 3.6 meV) of superconducting FeSe (T c = 9 K). While a field aligned along the in-plane direction broadens and suppresses the resonance, a c-axis aligned field does so much more efficiently, consistent with the anisotropic field-induced suppression of the superfluid density from the heat capacity measurements. These results suggest that the resonance in FeSe is associated with the superconducting electrons arising from orbital selective quasiparticle excitations between the hole and electron Fermi surfaces.

36 MATERIALS SCIENCE↗
NASA NTRS1975

Quantum chemical study of relative reactivities of a series of amines and nitriles - Relevance to prebiotic chemistry

Using the Iterative Extended Huckel Theory (IEHT) calculations of the electron distribution and orbital energies of a series of thirteen amines, nitriles and amino-nitriles relevant to prebiotic and cosmo-chemistry have been carried out. Ground state properties such as the energy and nature of the highest occupied (HOMO) and lowest empty (LEMO) molecular orbitals, net atomic charges and number of nonbonding electrons have been identified as criteria for correlating the relative nucleophilicity of amine and nitrile nitrogens and the electrophilicity of nitrile and other unsaturated carbon atoms. The results of such correlations can be partially verified by known chemical behavior of these compounds and are used to predict and understand their role in prebiotic organic synthesis.

Loew, G. H.↗
DOE OSTI2022

Giant resonances in topological spin Hall effect due to electron-skyrmion scattering in two-dimensional Rashba spin-orbit ferromagnets

Here we study a topological spin Hall effect where conduction electrons are scattered by Néel-type skyrmions in two-dimensional Rashba spin-orbit ferromagnets. We find the resonance structures in direct and Hall electric conductivities. The resonances strongly depend on the skyrmion size, the Rashba spin-orbit coupling vector value, and the relative direction between magnetization and Rashba vectors. The antiparallel arrangement of the Rashba spin-orbit coupling vector with respect to the magnetization determines the resonance structure and increases the direct conductivity by about two orders of magnitude. For the parallel arrangement the electric conductivities decrease by one to three orders of magnitude and the Hall conductivity changes the sign. The Rashba spin-orbit coupling also modifies electron bands depending on the ratio ε R /J, where ε R is Rashba energy and J is an exchange integral between conduction and localized electrons. If ε R /J ≤ 1, each energy band has the single minimum while for ε R /J > 1 the lower band has the “Mexican-hat” shape with the maximum at k = 0. We focus on the dependencies of direct and Hall electric conductivities on Fermi energy, ε F , skyrmion sizes, and Rashba spin-orbit coupling constant values and its relative direction with the magnetization. Analyzing both types of the energy bands, in general, we find two types of resonances: at the minimum of the upper band and behaviors, we employ the scattering pattern analysis. The resonance dependencies on skyrmion sizes and Rashba, a spin-orbit coupling contestant, can be qualitatively explained in terms of the Ramsauer-Townsend scattering of the upper band electrons by the skyrmion quantum well. The resonance properties can be used in spin transistors. To discover the resonances it is necessary to know the specific range of the parameters. At some values of the parameters the electric conductivity changes by about two orders of magnitude in the narrow range of ε F (< 0.01 eV). To detect the resonances it is also important to identify the relative direction of the Rashba spin-orbit coupling vector with respect to the magnetization.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Exploring orbital angular momentum and spin-orbit correlations for gluons at the Electron-Ion Collider

In our previous work [S. Bhattacharya , ], we introduced a pioneering observable aimed at experimentally detecting the orbital angular momentum (OAM) of gluons. Our focus was on the longitudinal double spin asymmetry observed in exclusive dijet production during electron-proton scattering. We demonstrated the sensitivity of the cos ϕ angular correlation between the scattered electron and proton as a probe for gluon OAM at small x and its intricate interplay with gluon helicity. This current work provides a comprehensive exposition, diving further into the aforementioned calculation with added elaboration and in-depth analysis. We reveal that, in addition to the gluon OAM, one also gains access to the spin-orbit correlation of gluons. We supplement our work with a detailed numerical analysis of our observables for the kinematics of the Electron-Ion Collider. In addition to dijet production, we also consider the recently proposed semi-inclusive diffractive deep inelastic scattering process, which potentially offers experimental advantages over dijet measurements. Finally, we investigate quark-channel contributions to these processes and find an unexpected breakdown of collinear factorization. Published by the American Physical Society 2025

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1984

Human exposure in low Earth orbit

Human exposure to trapped electrons and protons in low Earth orbit (LEO) is evaluated on a basis of a simple approximation of the human geometry for spherical shell shields of varying thickness. A data base is presented that may be used to make preliminary assessment of the impact of radiation exposure constraints on human performance. Detailed shielding studies should be performed before final design considerations. A sample impact assessment is discussed on the basis of presently accepted allowable exposure limits. A brief discussion is given on the anticipated impact of an ongoing reassessment of allowable exposure limits.

Wilson, J. W.↗
DOE OSTI2024

Crystal structure and magnetism of actinide oxides: a review

In actinide systems, the 5f electrons experience a uniquely delicate balance of effects and interactions having similar energy scales, which are often difficult to properly disentangle. This interplay of factors such as the dual nature of 5f-states, strong electronic correlations, and strong spin–orbit coupling results in electronically unusual and intriguing behavior such as multi-k antiferromagnetic ordering, multipolar ordering, Mott-physics, mixed valence configurations, and more. Despite the inherent allure of their exotic properties, the exploratory science of even the more basic, binary systems like the actinide oxides has been limited due to their toxicity, radioactivity, and reactivity. In this article, we provide an overview of the available synthesis techniques for selected binary actinide oxides, including the actinide dioxides, sesquioxides, and a selection of higher oxides. For these oxides, here we also review and evaluate the current state of knowledge of their crystal structures and magnetic properties. In many aspects, substantial knowledge gaps exist in the current body of research on actinide oxides related to understanding their electronic ground states. Bridging these gaps is vital for improving not only a fundamental understanding of these systems but also of future nuclear technologies. To this end, we note the experimental techniques and necessary future investigations which may aid in better elucidating the nature of these fascinating systems.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Laboratory Verification of Electron-Scale Reconnection Regions Modulated by a Three-Dimensional Instability

We report that during magnetic reconnection in collisionless space plasma, the electron fluid decouples from the magnetic field within narrow current layers, and theoretical models for this process can be distinguished in terms of their predicted current layer widths. From theory, the off-diagonal stress in the electron pressure tensor is related to the thermal noncircular orbit motion of electrons around the magnetic field lines. This stress becomes significant when the width of the reconnecting current layer approaches the small characteristic length scale of the electron motion. To aid in situ spacecraft and numerical investigations of reconnection, the structure of the electron diffusion region is here investigated using the Terrestrial Reconnection Experiment. In agreement with the closely matched kinetic simulations, laboratory observations reveal the presence of electron-scale current layer widths. Although the layers are modulated by a current-driven instability, three-dimensional simulations demonstrate that it is the off-diagonal stress that is responsible for breaking the frozen-in condition of the electron fluid.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Dual Orbital Degeneracy Lifting in a Strongly Correlated Electron System

The local structure of NaTiSi 2 O 6 is examined across its Ti-dimerization orbital-assisted Peierls transition at 210 K. An atomic pair distribution function approach evidences local symmetry breaking preexisting far above the transition. The analysis unravels that, on warming, the dimers evolve into a short range orbital degeneracy lifted (ODL) state of dual orbital character, persisting up to at least 490 K. The ODL state is correlated over the length scale spanning ~ 6 sites of the Ti zigzag chains. Results imply that the ODL phenomenology extends to strongly correlated electron systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗