Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “charge density waves”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 685 records · Page 38
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Revisiting superconductivity in the extended one-band Hubbard model: Pairing via spin and charge fluctuations

The leading superconducting instabilities of the two-dimensional extended repulsive one-band Hubbard model within spin-fluctuation pairing theory depend sensitively on electron density, band, and interaction parameters. We map out the phase diagrams within a random-phase-approximation spin- and charge-fluctuation approach, and find that while B 1g (d x 2 –y 2 ) and B 2g (d xy ) pairing dominates in the absence of repulsive longer-range Coulomb interactions V NN , the latter induces pairing in other symmetry channels, including, e.g., A 2g (g-wave), nodal A 1g (extended s-wave), or nodal E u (p-wave) spin-triplet superconductivity. At the lowest temperatures, transition boundaries in the phase diagrams between symmetry-distinct spin-singlet orders generate complex time-reversal symmetry broken superpositions. By contrast, we find that boundaries between singlet and triplet regions are characterized by first-order transitions. Finally, motivated by recent photoemission experiments, we have determined the influence of an additional explicitly attractive nearest-neighbor interaction, V NN < 0, on the superconducting gap structure. Furthermore, depending on the electronic filling, such an attraction boosts E u (p-wave) spin-triplet or B 1g (d x 2 –y 2 ) spin-singlet ordering.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2009

Computer Code for Nanostructure Simulation

Due to their small size, nanostructures can have stress and thermal gradients that are larger than any macroscopic analogue. These gradients can lead to specific regions that are susceptible to failure via processes such as plastic deformation by dislocation emission, chemical debonding, and interfacial alloying. A program has been developed that rigorously simulates and predicts optoelectronic properties of nanostructures of virtually any geometrical complexity and material composition. It can be used in simulations of energy level structure, wave functions, density of states of spatially configured phonon-coupled electrons, excitons in quantum dots, quantum rings, quantum ring complexes, and more. The code can be used to calculate stress distributions and thermal transport properties for a variety of nanostructures and interfaces, transport and scattering at nanoscale interfaces and surfaces under various stress states, and alloy compositional gradients. The code allows users to perform modeling of charge transport processes through quantum-dot (QD) arrays as functions of inter-dot distance, array order versus disorder, QD orientation, shape, size, and chemical composition for applications in photovoltaics and physical properties of QD-based biochemical sensors. The code can be used to study the hot exciton formation/relation dynamics in arrays of QDs of different shapes and sizes at different temperatures. It also can be used to understand the relation among the deposition parameters and inherent stresses, strain deformation, heat flow, and failure of nanostructures.

Filikhin, Igor↗
DOE OSTI2021

The effects of laser pulse length and collisional ionization on the acceleration of titanium ions

Abstract The interaction of a relativistic laser pulse ( > 10 18 W cm −2 µ m 2 ) with foil targets can accelerate ions to energies of tens of MeV u −1 with optimized laser and target parameters. We report the results on simulations of the interaction of a 6.0 × 10 20 W cm −2 laser pulse incident on ultrathin (10–500 nm) titanium foils to investigate the roles of laser pulse duration and ionization mechanisms in the acceleration of titanium ions. While holding peak intensity constant, two laser pulse durations were investigated, 140 and 650 fs. The optimum thickness is dependent on pulse duration, as it requires the concurrence of target transparency with the incidence of the peak laser intensity. The collisional processes do not play a significant role in Ti ion beam generation from the 140 fs laser pulse duration at the optimum thickness (30 nm). However, for the 650 fs laser optimum, collisions improve the conversion efficiency of highly energetic ( > 10 MeV u −1 ), high charge titanium (Ti 21 − 22 + ) by a factor of 20, and the titanium ion cutoff energy by ∼15%. This improvement is due to the fact that collisional ionization increases the electron density of the plasma, which delays the time of relativistic transparency, causing collisions to decrease the optimum foil thickness from 150 to 100 nm. Additionally, collisional ionization increases the charge-to-mass ratio of the titanium, and injects more electrons into the accelerating sheath field. At the optimum thickness, target normal sheath acceleration is the dominant mechanism of acceleration, with additional contributions from radiation pressure and shock wave acceleration.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Quasiparticle Poisoning of Superconducting Qubits from Resonant Absorption of Pair-Breaking Photons

The ideal superconductor provides a pristine environment for the delicate states of a quantum computer: because there is an energy gap to excitations, there are no spurious modes with which the qubits can interact, causing irreversible decay of the quantum state. As a practical matter, however, there exists a high density of excitations out of the superconducting ground state even at ultralow temperature; these are known as quasiparticles. Observed quasiparticle densities are of order 1 μ m - 3 , tens of orders of magnitude greater than the equilibrium density expected from theory. Nonequilibrium quasiparticles extract energy from the qubit mode and can induce dephasing. Here we show that a dominant mechanism for quasiparticle poisoning is direct absorption of high-energy photons at the qubit junction. We use a Josephson junction-based photon source to controllably dose qubit circuits with millimeter-wave radiation, and we use an interferometric quantum gate sequence to reconstruct the charge parity of the qubit. We find that the structure of the qubit itself acts as a resonant antenna for millimeter-wave radiation, providing an efficient path for photons to generate quasiparticles. A deep understanding of this physics will pave the way to realization of next-generation superconducting qubits that are robust against quasiparticle poisoning.

Liu, Chuan-Hong↗
NASA NTRS1974

Experimental Investigation of Electron Cloud Containment in a Nonuniform Magnetic Field

Dense clouds of electrons were generated and studied in an axisymmetric, nonuniform magnetic field created by a short solenoid. The operation of the experiment was similar to that of a low-pressure (approximately 0.000001 Torr) magnetron discharge. Discharge current characteristics are presented as a function of pressure, magnetic field strength, voltage, and cathode end-plate location. The rotation of the electron cloud is determined from the frequency of diocotron waves. In the space charge saturated regime of operation, the cloud is found to rotate as a solid body with frequency close to V sub a/phi sub a where V sub a is the anode voltage and phi suba is the total magnetic flux. This result indicates that, in regions where electrons are present, the magnetic field lines are electrostatic equipotentials (E bar, B bar = 0). Equilibrium electron density distributions suggested by this conditions are integrated with respect to total ionizing power and are found consistent with measured discharge currents.

Eninger, J. E.↗
NASA NTRS1986

Star of Lima - Overview and optical diagnostics of a barium Alfven critical velocity experiment

The Alfven critical velocity mechanism for ionization of a neutral gas streaming across the magnetic field has been demonstrated in laboratory experiments. In March 1983, two rocket-borne experiments with Ba and Sr tested the effect in the wall-less laboratory of space from Punto Lobos, Peru, near 430 km altitude. 'Star of Lima' used a conical Ba shaped charge aimed at an instrument payload about 2 km away. Because of rocket overperformance the detonation occurred in partial sunlight, so that less than 21.6 percent of the ionizing UV was present. Particle and field measurements indicate the production of hot electrons and waves in the energy and frequency range that are respectively predicted to produce a cascade of ionization by the Alfven mechanism. However, the ionization fluxes and wave energy density did not reach cascade levels, and optical observations indicate that only 2.5 to 5 x 10 to the 20th Ba ions were produced. A substantial portion and perhaps all of the ionization could have been produced by solar UV. The failure of the Alfven process in this experiment is not well understood.

Wescott, E. M.↗
DOE OSTI2021

Excited-state potentials for modelling dense plasmas from first principles

The modelling of dense plasmas using finite-temperature density functional theory has proven very successful in determining transport properties and the equation of state of systems where quantum many-body effects and correlations play a key role in their structure. Here we show how excited-state projector augmented- wave potentials can be used to extend these calculations to explicitly model core-hole states, allowing for the calculation of the electronic structure of a range of integer charge configurations embedded in a dense plasma environment. Our excited-state potentials show good agreement with all-electron calculations at finite-temperatures, motivating their use as an efficient approach in modelling from first principles both the structure of strongly-coupled non-equilibrium plasmas and their interaction with intense X-rays.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1990

Comments on 'Pulsed electron beam emission in space' by Neubert et al. (1988)

Using the potentials measured by the Spacelab's Charge and Current Probe during beam ejections and the signature of the harmonic emissions generated by pulsed electron beams, Neubert et al. (1988) presented evidence that overdense electron beams (with electron density above 150,000/cu cm) can escape the near vicinity of the Shuttle. This paper supplements these results by presenting a further indication of the beam escape and propagation out to at least 200 m, using the whistler-mode wave signature obtained during the SL-12 electron beam ejection which occurred on DOY 213 of 1985 from 03:30 to 03:37 UT. The combined results support the hypothesis that overdense electron beams can and will escape from a spacecraft, contrary to predictions based upon idealized simulations of the injection process.

Farrell, W. M.↗
DOE OSTI2024

Quantum interference in superposed lattices

Charge transport in solids at low temperature reveals a material’s mesoscopic properties and structure. Under a magnetic field, Shubnikov–de Haas (SdH) oscillations inform complex quantum transport phenomena that are not limited by the ground state characteristics and have facilitated extensive explorations of quantum and topological interest in two- and three-dimensional materials. Here, in elemental metal Cr with two incommensurately superposed lattices of ions and a spin-density-wave ground state, we reveal that the phases of several low-frequency SdH oscillations in σ xx (ρ xx ) and σ yy (ρ yy ) are no longer identical but opposite. These relationships contrast with the SdH oscillations from normal cyclotron orbits that maintain identical phases between σ xx (ρ xx ) and σ yy (ρ yy ) . We trace the origin of the low-frequency SdH oscillations to quantum interference effects arising from the incommensurate orbits of Cr’s superposed reciprocal lattices and explain the observed π-phase shift by the reconnection of anisotropic joint open and closed orbits.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Electronic structure, magnetic correlations, and superconducting pairing in the reduced Ruddlesden-Popper bilayer La 3 Ni 2 O 6 under pressure: Different role of d 3 z 2 - r 2 orbital compared with La 3 Ni 2 O 7

The recent discovery of superconductivity in bilayer La 3 Ni 2 O 7 (327-LNO) under pressure stimulated much interest in layered nickelates. However, superconductivity was not found in another bilayer nickelate system, La 3 Ni 2 O 6 (326-LNO), even under pressure. To understand the similarities and differences between 326-LNO and 327-LNO, using density functional theory and the random phase approximation (RPA), we systematically investigate 326-LNO under pressure. The large crystal-field splitting between the e g orbitals caused by the missing apical oxygen moves the d 3z 2 -r 2 orbital farther away from the Fermi level, implying that the d 3z 2 -r 2 orbital plays a less important role in 326-LNO than in 327-LNO. This also results in a smaller bandwidth for the d x 2 -y 2 orbital and a reduced energy gap for the bonding-antibonding splitting of the d 3z 2 -r 2 orbital in 326-LNO, as compared to 327-LNO. Moreover, the in-plane hybridization between the d x 2 -y 2 and d 3z 2 -r 2 orbitals is found to be small in 326-LNO, while it is much stronger in 327-LNO. Furthermore, the low-spin ferromagnetic state is found to be the likely ground state in 326-LNO under high pressure. The weak interlayer coupling suggests that s ± -wave pairing is unlikely in 326-LNO. The robust in-plane ferromagnetic coupling also suggests that d-wave superconductivity, which is usually caused by antiferromagnetic fluctuations of the d x 2 -y 2 orbital, is also unlikely in 326-LNO. These conclusions are supported by our many-body RPA calculations of the pairing behavior. Additionally, contrasting with the cuprates, for the bilayer cuprate HgBa 2 CaCu 2 O 6 , we find a strong self-doping effect of the d x 2 -y 2 orbital under pressure, with the charge of Cu being reduced by approximately 0.13 electrons from 0 GPa to 25 GPa. In contrast, we do not observe such a change in the electronic density in 326-LNO under pressure, establishing another important difference between the nickelates and the cuprates.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Toward UV models of kinetic mixing and portal matter. VI. A more complex dark matter sector?

Portal matter (PM), having both Standard Model (SM) and dark sector charges, can induce kinetic mixing between the 𝑈⁢(1) 𝐷 dark photon and the SM gauge fields at the 1-loop level offering an attractive mechanism by which light (≲1 GeV) thermal dark matter (DM) can interact with visible matter and obtain its observed relic density. In doing so, if the DM is fermionic, the CMB and other astrophysical observations inform us that it must be Majorana/pseudo-Dirac in nature to avoid velocity/temperature-independent 𝑠-wave annihilation to SM final states. How does this idea fit into a more UV-complete picture also including the SM interactions? There are some reasons to believe that at least a first step along this path may not lie too far away in energy due to the renormalization group equations running of the dark gauge coupling, which for a significant range of parameters, becomes nonperturbative at/before the ∼10’s of TeV energy range. This implies that 𝑈⁢(1) 𝐷 must become embedded in an asymptotically free, non-Abelian group, 𝐺 𝐷 , before this can occur. The breaking of this larger group then produces the masses for the PM and the additional gauge fields associated with 𝐺 𝐷 then can lead to new interactions between the SM and the dark sector. Following several bottom-up approaches, we have examined a set of distinctive and testable phenomenological features associated with this general setup, based upon a number of simplifying assumptions. Clearly, it behooves us to explore the impact of these specific assumptions on these predictions for the array of possible experimental tests of this class of models. In most past analyses it has been assumed that DM is a vectorlike, complex singlet under the group 𝐺 𝐷 . If this assumption is relaxed, the dark sector must be augmented by additional fermion(s) and the associated scalar fields needed to break the gauge symmetries while generating the needed Majorana-like mass terms for the DM. In this paper, we analyze the simplest extension of this kind wherein the DM lies in a vectorlike doublet of 𝐺 𝐷 , which we take to have the structure 𝑆⁢𝑈⁢(2) 𝐼 ×𝑈⁢(1) 𝑌 𝐼 as in earlier work, leading to new phenomenological implications. We find, for example, that given the current LHC search constraints on the masses of heavy gauge bosons, the production of these new dark states with large rates is unlikely to occur at colliders unless they are produced singly in 𝑔⁡𝑔 fusion or their pair production cross sections are resonantly enhanced. Here, we also find that an additional mechanism arises to generate hierarchal neutrino masses in such a setup.

Extensions of Higgs sector↗
NASA NTRS1991

Gamma-ray bursts from sheared Alfven waves

The physical process by which sheared Alfven waves can accelerate electrons to a Lorentz factor of 10,000 to 100,000 within 5 km of the stellar surface is applied to a study of gamma-ray bursts, taking both resonant and nonresonant scattering into account. Several very encouraging features of the model are discussed. Although the field is oscillatory, virtually all the charges are ejected from the system, resulting in very little backheating of the stellar surface. The particle number density is accounted for naturally in terms of BA0 and m, which in principle are known from the physical manifestation of the agent causing the crustal disturbance. The resulting gamma-ray spectrum compares very favorably with the observation. The model restricts the geometry of the emission region, in the sense that only the Compton upscattering of soft photons from a warm polar cap can produce the correct spectral shape.

Melia, Fulvio↗
NASA NTRS1977

The multiple applications of electrons in space

An electron source such as a simple cathode is a cheap and light device which can serve several technological and scientific purposes in space: (1) electrostatic charging of a spacecraft can be limited by releasing electrons accumulated on the conductive elements of their surface; (2) the erosion of conductive coatings and the ability of conductive paints to withstand the space environment can be evaluated by monitoring the flow of charged particles impinging on their surface; (3) measuring the current collected by the spacecraft surface as a function of its potential with respect to an emitter is a very sensitive diagnostic technique which can yield a number of plasma parameters, such as density and temperature; (4) it is possible to convert the thermal motion of space plasmas into electrical energy by collecting energetic electrons and returning them to the medium as cold particles; (5) a wave in a plasma is characterized by a conduction current density which gives rise to fluctuations of the current flowing to the surface.

Grard, R. J. L.↗
NASA NTRS1990

Electron beam injection during active experiments. II - Collisional effects

During active beam experiments, the presence of high neutral densities at low altitudes and/or during thruster firings has been observed to modify the spacecraft charging and the properties of the beam. Two-dimensional (three-velocity) electromagnetic particle simulations with ionizing collisions incorporated are used to investigate the modification of the beam-plasma interaction as the neutral density is increased. It is shown that when the spacecraft is uniformly immersed in a neutral cloud, most of the ionization is produced by direct ionization by the beam and its secondaries, rather than via vehicle-induced or wave-induced ionization for the neutral densities considered.

Winglee, R. M.↗
DOE OSTI2022

Skyrmion superconductivity: DMRG evidence for a topological route to superconductivity

It was recently suggested that the topology of magic-angle twisted bilayer graphene's (MATBG) flat bands could provide a novel mechanism for superconductivity distinct from both weakly coupled BCS theory and the d-wave phenomenology of the high-T c cuprates. In this work, we examine this possibility using a density matrix renormalization group (DMRG) study of a model which captures the essential features of MATBG's symmetry and topology. Here, using large-scale cylinder-DMRG calculations to obtain the ground state and its excitations as a function of the electron doping, we find clear evidence for superconductivity driven by the binding of electrons into charge-2e skyrmions. Remarkably, this binding is observed even in the regime where the unscreened Coulomb repulsion is by far the largest energy scale, demonstrating the robustness of this topological, all-electronic pairing mechanism.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1992

Coordinated Radio, Electron, and Waves Experiment (CREWE) for the NASA Comet Rendezvous and Asteroid Flyby (CRAF) instrument

The Coordinated Radio, Electron, and Waves Experiment (CREWE) was designed to determine density, bulk velocity and temperature of the electrons for the NASA Comet Rendezvous and Asteroid Flyby Spacecraft, to define the MHD-SW IMF flow configuration; to clarify the role of impact ionization processes, to comment on the importance of anomalous ionization phenomena (via wave particle processes), to quantify the importance of wave turbulence in the cometary interaction, to establish the importance of photoionization via the presence of characteristic lines in a structured energy spectrum, to infer the presence and grain size of significant ambient dust column density, to search for the theoretically suggested 'impenetrable' contact surface, and to quantify the flow of heat (in the likelihood that no surface exists) that will penetrate very deep into the atmosphere supplying a good deal of heat via impact and charge exchange ionization. This final report provides an instrument description, instrument test plans, list of deliverables/schedule, flight and support equipment and software schedule, CREWE accommodation issues, resource requirements, status of major contracts, an explanation of the non-NASA funded efforts, status of EIP and IM plan, descope options, and Brinton questions.

Scudder, Jack D.↗
DOE OSTI2025

Electronic structure, and magnetic and superconducting pairing tendencies of the alternating single layer–bilayer stacking nickelate La 5 ⁢Ni 3 ⁢O 11 under pressure

Nickelates have continued to surprise since their unconventional superconductivity was discovered. Recently, the layered nickelate La 5 ⁢Ni 3 ⁢O 11 with hybrid single-layer and bilayer stacking showed superconductivity under high pressure. This compound combines features of single-layer La 2 ⁢NiO 4 and bilayer La 3 ⁢Ni 2 ⁢O 7 , but its pairing mechanism remains to be understood. Motivated by this finding, here we report a comprehensive theoretical study of this system. Our density functional theory calculations reveal that the undistorted P4/mmm phase without pressure is unstable due to three distortion modes. As pressure increases, these modes are suppressed, leading to the high-symmetry P4/mmm phase without NiO 6 octahedron tilting. Moreover, the “charge transfer” between the single-layer and bilayer sublattices was observed, leading to hole doping in the single-layer blocks. Our random-phase approximation calculations indicate a leading 𝑑 𝑥 2 −𝑦 2 -wave pairing state that arises from spin-fluctuation scattering between Fermi surface states mainly originating from the single-layer blocks and additional weaker contributions from the bilayer blocks. These spin fluctuations could be detected by inelastic neutron scattering as a strong peak at 𝐪 = (𝜋,𝜋). Our findings distinguish La 5 ⁢Ni 3 ⁢O 11 from other nickelate superconductors discovered so far and the high-𝑇 𝑐 cuprates. We also discuss both similarities and differences between La 5⁢ Ni 3 ⁢O 11 and other hybrid stacking nickelates.

Zhang, Yang [Univ. of Tennessee, Knoxville, TN (Un↗
DOE OSTI2024

Multiconfigurational Electronic Structure of Nickel Cross-Coupling Catalysts Revealed by X-ray Absorption Spectroscopy

Ni II 2,2'-bipyridine complexes are commonly invoked intermediates in metallaphotoredox cross-coupling reactions. Despite their ubiquity, design principles targeting improved catalytic performance remain underdetermined. A series of Ni( R bpy)( R 'Ar)Cl (R = MeOOC, t-Bu, R' = CH 3 , CF 3 ) complexes were proposed to have multiconfigurational electronic structures on the basis of multiconfigurational/multireference calculations, with significant mixing of Ni → bpy metal-to-ligand charge transfer (MLCT) configurations into the ground-state wave function. Here, Ni K-edge and L 2,3 -edge X-ray absorption spectroscopies provide experimental support for the highly covalent and multiconfigurational electronic structures of these complexes. The pre-edge intensity in the K-edge spectrum reflects highly covalent Ni–aryl bonding. The L 3 -edge spectral shape is dependent on ligand functionalization, and a feature reflecting the MLCT character is assigned using prior ab initio and new semiempirical calculations. The results suggest the push/pull effects of the aryl/bpy ligands moderate the changes in electron density on Ni during the multiredox cross-coupling reaction cycle.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗