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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

A light-induced phononic symmetry switch and giant dissipationless topological photocurrent in ZrTe 5

Dissipationless currents from topologically protected states are promising for disorder-tolerant electronics and quantum computation. In this work, we photogenerate giant anisotropic terahertz nonlinear currents with vanishing scattering, driven by laser-induced coherent phonons of broken inversion symmetry in a centrosymmetric Dirac material ZrTe 5 . Our work suggests that this phononic terahertz symmetry switching leads to formation of Weyl points, whose chirality manifests in a transverse, helicity-dependent current, orthogonal to the dynamical inversion symmetry breaking axis, via circular photogalvanic effect. The temperature-dependent topological photocurrent exhibits several distinct features: Berry curvature dominance, particle–hole reversal near conical points and chirality protection that is responsible for an exceptional ballistic transport length of ~10 μm. These results, together with first-principles modelling, indicate two pairs of Weyl points dynamically created by B 1u phonons of broken inversion symmetry. Such phononic terahertz control breaks ground for coherent manipulation of Weyl nodes and robust quantum transport without application of static electric or magnetic fields.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Nonlinear dynamics of topological Dirac fermions in 2D spin-orbit coupled materials

Abstract The graphene family materials are two-dimensional staggered monolayers with a gapped energy band structure due to intrinsic spin-orbit coupling. The mass gaps in these materials can be manipulated on-demand via biasing with a static electric field, an off-resonance circularly polarized laser, or an exchange interaction field, allowing the monolayer to be driven through a multitude of topological phase transitions. We investigate the dynamics of spin-orbit coupled graphene family materials to unveil topological phase transition fingerprints embedded in the nonlinear regime and show how these signatures manifest in the nonlinear Kerr effect and in third-harmonic generation processes. We show that the resonant nonlinear spectral response of topological fermions can be traced to specific Dirac cones in these materials, enabling characterization of topological invariants in any phase by detecting the cross-polarized component of the electromagnetic field. By shedding light on the unique processes involved in harmonic generation via topological phenomena our findings open an encouraging path towards the development of novel nonlinear systems based on two-dimensional semiconductors of the graphene family.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Static dipole polarizabilities of polyacenes using self-interaction-corrected density functional approximations

Density functional approximations are known to significantly overestimate the polarizabilities of long chain-like molecules. We study the static electric dipole polarizabilities and the vertical ionization potentials of polyacenes from benzene to pentacene using the Fermi-L\"owdin orbital based self-interaction corrected (FLOSIC) density functional method. The orbital-by-orbital self-interaction correction corrects for the overestimation tendency of density functional approximations. The polarizabilities calculated with FLOSIC-DFA are however overly corrected. We also tested the recently developed locally-scaled self-interaction correction (LSIC) method on the polyacenes. The local-scaling method applies full SIC in the one-electron regions and restores the proper behavior of the SIC exchange-correlation functionals in the uniform density limit. The results show that LSIC removes the overcorrection tendency of the FLOSIC-DFA and produces results that are in excellent agreement with reference CCSD values. The vertical ionization potentials with LSIC also show good agreement with available experimental values.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

Exploring spin symmetry-breaking effects for static field ionization of atoms: Is there an analog to the Coulson–Fischer point in bond dissociation?

Löwdin's symmetry dilemma is an ubiquitous issue in approximate quantum chemistry. In the context of Hartree-Fock (HF) theory, the use of Slater determinants with some imposed constraints to preserve symmetries of the exact problem may lead to physically unreasonable potential energy surfaces. On the other hand, lifting these constraints leads to the so-called broken symmetry solutions that usually provide better energetics, at the cost of losing information about good quantum numbers that describe the state of the system. This behavior has previously been extensively studied in the context of bond dissociation. Here, this paper studies the behavior of different classes of HF spin polarized solutions (restricted, unrestricted, and generalized) in the context of ionization by strong static electric fields. We find that, for simple two electron systems, unrestricted Hartree-Fock (UHF) is able to provide a qualitatively good description of states involved during the ionization process (neutral, singly ionized, and doubly ionized states), whereas RHF fails to describe the singly ionized state. For more complex systems, even though UHF is able to capture some of the expected characteristics of the ionized states, it is constrained to a single M s (diabatic) manifold in the energy surface as a function of field intensity. In this case, a better qualitative picture can be painted by using generalized Hartree-Fock as it is able to explore different spin manifolds and follow the lowest solution due to lack of collinearity constraints on the spin quantization axis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

High resolution electronic spectroscopy of uranium mononitride, UN

The isoelectronic molecules UN and UO + are known to have Ω = 3.5 and Ω = 4.5 ground states, respectively (where Ω is the unsigned projection of the electronic angular momentum along the internuclear axis). A ligand field theory model has been proposed to account for the difference [Matthew and Morse, J. Chem. Phys. 138, 184303 (2013)]. The ground state of UO + arises from the U 3+ (5f 3 ( 4 I 4.5 ))O 2− configuration. Owing to the higher nominal charge of the N 3− ligand, the U 3+ ion in UN is stabilized by promoting one of the 5f electrons to the more polarizable 7s orbital, reducing the repulsive interaction with the ligand and rendering U 3+ (5f 2 7s( 4 H 3.5 ))N 3− the lowest energy configuration. In the present work, we have advanced the characterization of the UN ground state through studies of two electronic transitions, [18.35]4.5-X(1)3.5 and [18.63]4.5-X(1)3.5, using sub-Doppler laser excitation techniques with fluorescence detection. Further, spectra were recorded under field-free conditions and in the presence of static electric or magnetic fields. The ground state electric dipole moment [μ = 4.30(2) D] and magnetic g e -factor [2.160(9)] were determined from these data. These values were both consistent with the 5f 2 7s configurational assignment. Dispersed fluorescence measurements were used to determine vibrational constants for the ground and first electronically excited states. Electric dipole moments and magnetic g e -factors are also reported for the higher-energy electronically excited states.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2022

Combined Theoretical Analysis of the Parity-Violating Asymmetry for 48 Ca and 208 Pb

The recent experimental determination of the parity violating asymmetry A PV in 48 Ca and 208 Pb at Jefferson Lab is important for our understanding on how neutrons and protons arrange themselves inside the atomic nucleus. To better understand the impact of these measurements, we present a rigorous theoretical investigation of A PV in 48 Ca and 208 Pb and assess the associated uncertainties. Here, we complement our study by inspecting the static electric dipole polarizability in these nuclei. The analysis is carried out within nuclear energy density functional theory with quantified input. We conclude that the simultaneous accurate description of A PV in 48 Ca and 208 Pb cannot be achieved by our models that accommodate a pool of global nuclear properties, such as masses and charge radii, throughout the nuclear chart, and describe—within one standard deviation—the experimental dipole polarizabilities in these nuclei.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Quantum Geometric Oscillations in Two-Dimensional Flat-Band Solids

Two-dimensional van der Waals heterostructures can be engineered into artificial superlattices that host flat bands with significant Berry curvature and provide a favorable environment for the emergence of novel electron dynamics. In particular, the Berry curvature can induce an oscillating trajectory of an electron wave packet transverse to an applied static electric field. Though analogous to Bloch oscillations, this novel oscillatory behavior is driven entirely by quantum geometry in momentum space instead of band dispersion. While the current from Bloch oscillations can be localized by increasing field strength, the current from the geometric orbits saturates to a nonzero plateau in the strong-field limit. Finally, in nonmagnetic materials, the geometric oscillations are even under inversion of the applied field, whereas the Bloch oscillations are odd, a property that can be used to distinguish these two coexisting effects.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Pump-probe spectroscopy of chiral vibrational dynamics

A planar molecule may become chiral upon excitation of an out-of-plane vibration, changing its handedness during half a vibrational period. When exciting such a vibration in an ensemble of randomly oriented molecules with an infrared laser, half of the molecules will undergo the vibration phase-shifted by π compared to the other half, and no net chiral signal is observed. This symmetry can be broken by exciting the vibrational motion with a Raman transition in the presence of a static electric field. Subsequent ionization of the vibrating molecules by an extreme ultraviolet pulse probes the time-dependent net handedness via the photoelectron circular dichroism. Our proposal for pump-probe spectroscopy of molecular chirality, based on quantum-chemical theory and discussed for the example of the carbonyl chlorofluoride molecule, is feasible with current experimental technology.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Transient superconductivity at nano- and meso-scales

High-T c superconductivity is surpassed by few, if any, other unsolved problems in contemporary physics in terms of its richness, complexity, impact on other fields, and potential technological importance in energy applications. Recent discoveries reveal that the highest transition temperatures emerge under extraordinary experimental conditions such as the strong perturbation of a single atomic layer material by the underlying substrate, application of ~200 GPa pressure or ~MV/cm static electric fields, or irradiation by intense femtosecond optical fields. Research in superconductivity under extreme experimental conditions is challenging and requires the development of novel experimental methods and new theoretical tools suitable to tackle the problem. Our team has approached the challenges of transient superconductivity under intense optical fields by rethinking the types of experimental observables that are best suited to elucidate the physics of light-induced effects. This exercise has identified the need for: i) ultra-fast spatio-temporal probes enabling access to plasmonic properties and also nano-scale inhomogeneities that are ubiquitous in unconventional superconductors; ii) meso-scale structures and hybrid meta-surfaces imperative for strong enhancement of optical fields and iii) theoretical approaches suitable to explain and predict the response of superconductors under ultra-fast photo-excitation. Co-PIs have already made major advances with developing capabilities i)-iii). Therefore, our team is poised to make significant progress in transient superconductivity by exploring novel spatio-temporal effects that currently remain unattainable. Co-investigators will search for light-induced superconductivity in the high-T c cuprates to build upon spectacular recent results still lacking independent confirmations. Novel data acquisition methods combined with nano-plasmonic imaging will allow our team to test the hypothesis of photo-induced superconducting pairing. Spatio-temporal experiments will provide insights into the interplay between superconductivity and competing orders in the cuprates. Co-PIs will also investigate strong light-matter interaction and superconductivity in FeSe monolayers. Finally, we will study spatio-temporal electrodynamics of planar Josephson junctions. This latter direction will allow our team to thoroughly characterize one of the most fundamental examples of inhomogeneity in all of unconventional superconductivity. The proposed experiments in combination with theoretical analysis will provide information that is difficult to obtain using alternative methods. Basov and Averitt will carry out pump-probe spectroscopy and nano-imaging experiments. Averitt and Hone will design and fabricate state-of-the-art meta-surfaces. Theoretical and computational studies of ultrafast transient phenomena will be carried out by Millis and Fogler. Modeling of time-resolved nano-optical effects will be done by Fogler. The bulk of the requested budget will be used to support graduate students at Columbia & UCSD that will be co-supervised by co-PIs. The proposed program is transformative, since it will enable an entire suite of experiments previously either impossible or technically implausible. It will deliver critically important insights not only into mechanisms of unconventional superconductivity but also to many other correlated quantum materials.

36 MATERIALS SCIENCE↗
NASA NTRS1972

Measurement on the lunar surface of impact-produced plasma clouds.

Simultaneous enhancements of low-energy ions and negative-particle fluxes due to the impact of the Apollo 14 lunar module were observed by the lunar-based charged-particle lunar-environment experiment (CPLEE). The impact occurred 66 km away from CPLEE, and the time delay between impact and flux onset was approximately 1 min. It is argued that the observed charged particles could not have energized at the instant of impact but rather that the impact produced expanding gas clouds and that constituents of these clouds were ionized and accelerated by some continuously active acceleration mechanism. It is further shown that the acceleration mechanism could not have been a static electric field but rather is possibly a consequence of interaction between the solar wind and the gas cloud.

Reasoner, D. L.↗
NASA NTRS1975

Electron precipitation in the post midnight sector of the auroral zones

Comprehensive measurements of the angular distributions and energy spectra of electron intensities with electrostatic analyzer arrays on board the low-altitude satellite Injun 5 are reported. These are for the post-midnight sector of the auroral zones during the high-intensity events accompanying magnetic substorms. Precipitation features on closed terrestrial field lines well equatorward of the trapping boundary for energetic electrons with E greater than 45 keV were examined. No evidences of maxima in the differential energy spectra or of strongly field-aligned currents which are indicative of quasi-static electric fields aligned parallel to the geomagnetic field were found. Precipitation of low-energy electron intensities fluctuated on time scales greater than 2 seconds as viewed at the satellite position. This precipitation was characterized by isotropy for all pitch angles outside the atmospheric backscatter cone.

Frank, L. A.↗
NASA NTRS1979

Cometary particulate analyzer

A concept for determining the relative abundance of elements contained in cometary particulates was evaluated. The technique utilizes a short, high intensity burst of laser radiation to vaporize and ionize collected particulate material. Ions extracted from this laser produced plasma are analyzed in a time of flight mass spectrometer to yield an atomic mass spectrum representative of the relative abundance of elements in the particulates. Critical aspects of the development of this system are determining the ionization efficiencies for various atomic species and achieving adequate mass resolution. A technique called energy-time focus, which utilizes static electric fields to alter the length of the ion flight path in proportion to the ion initial energy, was used which results in a corresponding compression to the range of ion flight times which effectively improves the inherent resolution. Sufficient data were acquired to develop preliminary specifications for a flight experiment.

Friichtenicht, J. F.↗
NASA NTRS1979

Development of an Accelerated Test Design for Predicting the Service Life of the Solar Array at Mead, Nebraska

An accelerated life test is described which was developed to predict the life of the 25 kW photovoltaic array installed near Mead, Nebraska. A quantitative model for accelerating testing using multiple environmental stresses was used to develop the test design. The model accounts for the effects of thermal stress by a relation of the Arrhenius form. This relation was then corrected for the effects of nonthermal environmental stresses, such as relative humidity, atmospheric pollutants, and ultraviolet radiation. The correction factors for the nonthermal stresses included temperature-dependent exponents to account for the effects of interactions between thermal and nonthermal stresses on the rate of degradation of power output. The test conditions, measurements, and data analyses for the accelerated tests are presented. Constant-temperature, cyclic-temperature, and UV types of tests are specified, incorporating selected levels of relative humidity and chemical contamination and an imposed forward-bias current and static electric field.

Gaines, G. B.↗
NASA NTRS1981

ISEE-1 observations of electrostatic shocks on auroral zone field lines between 2.5 and 7 earth radii

The ISEE-1 satellite frequently passes through electrostatic shocks and the low altitude auroral particle acceleration region at geocentric radial distances less than approximately 7 earth radii and as low as greater than or equal to 2 earth radii. A sampling of data from the quasi-static electric field experiment during 22 such passes revealed events (defined as regions of low frequency turbulence) containing electrostatic shocks (defined as an electric field greater than or equal to 100 mV/m) during eight of the passes, which is an occurrence frequency comparable to that obtained near apogee on the S3-3 satellite. Examination of three such electrostatic shocks shows that typical potentials of a few kV and latitudinal scale widths mapped to the ionosphere of a few km are encountered. From the latitudinal widths of the shocks and from the magnitudes of their observed electric fields, it is argued that the parallel electric field and auroral particle acceleration region may be confined to geocentric distances less than a few earth radii.

Mozer, F. S.↗
NASA NTRS1983

Numerical simulations of plasma double layers

The results of analytical studies of quasi-static electric fields along geomagnetic field lines are discussed. The calculations were targeted at the structure, generation mechanisms and stability parameters. The field consists of two oppositely charged layers, either weakly or strongly charged, with an electric field between. Existence conditions are defined for the double layer field and balancing requirements are explored. Details of the simulation techniques, i.e., particle in cell and Vlasov simulations, for studying the double layer are outlined, noting that both periodic and quasi-periodic simulations are used. Solutions to Poisson's equation for fixed and floating point boundary conditions are generated. Finally, attention is also given to oblique and two-dimensional magnetic double layers.

Goertz, C. K.↗
NASA NTRS1985

The electrification of spacecraft

Physical and applied aspects of the electrification of space vehicles and natural celestial objects are discussed, the factors resulting in electrification of spacecraft are analyzed, and methods of investigating various phenomena associated with this electrification and ways of protecting spacecraft against the influence of static electricity are described. The booklet is intended for the general reader interested in present day questions of space technology.

Akishin, A. I.↗
NASA NTRS1987

A new hydrodynamic analysis of double layers

A genuine two-fluid model of plasmas with collisions permits the calculation of dynamic (not necessarily static) electric fields and double layers inside of plasmas including oscillations and damping. For the first time a macroscopic model for coupling of electromagnetic and Langmuir waves was achieved with realistic damping. Starting points were laser-produced plasmas showing very high dynamic electric fields in nonlinear force-produced cavitous and inverted double layers in agreement with experiments. Applications for any inhomogeneous plasma as in laboratory or in astrophysical plasmas can then be followed up by a transparent hydrodynamic description. Results are the rotation of plasmas in magnetic fields and a new second harmonic resonance, explanation of the measured inverted double layers, explanation of the observed density-independent, second harmonics emission from laser-produced plasmas, and a laser acceleration scheme by the very high fields of the double layers.

Hora, Heinrich↗