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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 1,567 records · Page 87
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Spontaneous Chirality Flipping in an Orthogonal Spin-Charge Ordered Topological Magnet

The asymmetric distribution of chiral objects with opposite chirality is of great fundamental interest ranging from molecular biology to particle physics. In quantum materials, chiral states can build on inversion-symmetry-breaking lattice structures or emerge from spontaneous magnetic ordering induced by competing interactions. Although the handedness of a chiral state can be changed through external fields, a spontaneous chirality flipping has yet to be discovered. We present experimental evidence of chirality flipping via changing temperature in a topological magnet EuAl 4 , which features orthogonal spin density waves (SDW) and charge density waves (CDW). Using circular dichroism of Bragg peaks in the resonant magnetic x-ray scattering, we find that the chirality of the helical SDW flips through a first-order phase transition with modified SDW wavelength. Intriguingly, we observe that the CDW couples strongly with the SDW and displays a rare commensurate-to-incommensurate transition at the chirality flipping temperature. Combining with first-principles calculations and angle-resolved photoemission spectroscopy, our results support a Fermi surface origin of the helical SDW with intertwined spin, charge, and lattice degrees of freedom in EuAl 4 . Our results reveal an unprecedented spontaneous chirality flipping and lay the groundwork for a new functional manipulation of chirality through momentum-dependent spin-charge-lattice interactions. Published by the American Physical Society 2024

3-dimensional systems↗
DOE OSTI2022

Quantum simulation of real-space dynamics

Quantum simulation is a prominent application of quantum computers. While there is extensive previous work on simulating finite-dimensional systems, less is known about quantum algorithms for real-space dynamics. We conduct a systematic study of such algorithms. In particular, we show that the dynamics of a d-dimensional Schrödinger equation with η particles can be simulated with gate complexity O ~ (ηdFpoly(log(g'/ϵ))), where ϵ is the discretization error, g' controls the higher-order derivatives of the wave function, and F measures the time-integrated strength of the potential. Compared to the best previous results, this exponentially improves the dependence on ϵ and g' from poly(g'/ϵ) to poly(log(g'/ϵ)) and polynomially improves the dependence on T and d, while maintaining best known performance with respect to η. For the case of Coulomb interactions, we give an algorithm using η 3 (d + η)Tpoly(log(ηdTg'/(Δϵ)))/Δ one- and two-qubit gates, and another using η 3 (4d) d/2 Tpoly(log(ηdTg'/(Δϵ)))/Δ one- and two-qubit gates and QRAM operations, where T is the evolution time and the parameter Δ regulates the unbounded Coulomb interaction. We give applications to several computational problems, including faster real-space simulation of quantum chemistry, rigorous analysis of discretization error for simulation of a uniform electron gas, and a quadratic improvement to a quantum algorithm for escaping saddle points in nonconvex optimization.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Diuranium(IV) Carbide Cluster U 2 C 2 Stabilized Inside Fullerene Cages

>Novel actinide cluster fullerenes, U 2 C 2 @ I h (7)-C 80 and U 2 C 2 @ D 3 h (5)-C 78 , were synthesized and fully characterized by mass spectrometry, single-crystal X-ray crystallography, UV–vis–NIR, nuclear magnetic resonance spectroscopy (NMR), X-ray absorption spectroscopy (XAS), Raman spectroscopy, IR spectroscopy, as well as density functional and multireference wave function calculations. The encapsulated U 2 C 2 is a novel example of a uranium carbide cluster featuring two U centers bridged by a C≡C unit. The U–C bond distances in these U 2 C 2 clusters are in the range between 2.130 and 2.421 Å. While the U 2 C 2 cluster in U 2 C 2 @C 80 adopts a butterfly-shaped geometry with a U–C 2 –U dihedral angle of 112.7° and a U–U distance of 3.855 Å, the U–U distance in U 2 C 2 @C 78 is 4.164 Å and the resulting U–C 2 –U dihedral angle is increased to 149.1°. The combined experimental and quantum-chemical results suggest that the formal U oxidation state is +4 in the U 2 C 2 cluster, and each U center transfers three electrons to the C 2 n cage and one electron to C 2 . Different from the strong U ＝ C covalent bonding reported for U 2 C 2 @ C 80 , the U–C bonds in U 2 C 2 are less covalent and predominantly ionic. The C–C triple bond is somewhat weaker than in HCCH, and the C–C π bonds undergo donation bonding with the U centers. This work shows that the combination of the unique encapsulation effect of fullerene cages and the variable oxidation states of actinide elements can lead to the stabilization of novel actinide clusters, which are not accessible by conventional synthetic methods.

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

The achievement of the T e,div feedback control by CD 4 seeding on EAST

A multi-function divertor feedback control system has been built on Experimental Advanced Superconducting Tokamak (EAST) to treat the divertor heat load issue. With the real-time data of the Langmuir probes and the impurity seeding, the divertor electron temperature (T e,div ) is well controlled to achieve the partial detachment phase. The first trial of the CD 4 seeding for the T e,div reduction has been achieved on EAST long-pulse discharge. In the seeding phase, the T e,div was maintained close to 5 eV, and the surface temperature of the target plate (T surface,div ) had a reduction of about 150° C. The plasma stored energy had a reduction in the control phase, so it is necessary to find a way to keep the good plasma confinement in the next step. The CD 4 injection also mitigated the low hybrid wave coupling rate in some degree. The big volume of the CD 4 injection lifted the Greenwald density fraction from ~0.4 to ~0.7, which made the SOL into high recycling state. As a result, most of the injected carbon particles were in the high ionized state, and with the lower of the T e,div , the tungsten line emission was suppressed obviously.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Microscopic Nature of Magnetic Ground State in CeAuSb 2

Here, the synergistic investigation of ground-state magnetic correlation in the single-crystal heavy fermion compound CeAuSb 2 using detailed neutron scattering measurements and density functional calculations is reported. Unlike the previous reports of single antiferromagnetic transition at T N ≈ 6 K, three successive transitions with distinct critical exponents at T N = 5.3, 4.46, and 3.76 K, respectively, are detected in CeAuSb. The low-temperature ground-state magnetic correlation is described by the spin density wave order in the basal plane with propagation wave vector $τ$ = (0.135, 0.135, 0.5) rlu. The spin density wave order arises due to the nesting of hole pockets in the Fermi surface, with parallel surfaces being separated by the experimentally found propagation vector τ. The comprehensive investigation of magnetic ground-state properties is expected to provide new insights in understanding the emerging quantum magnetism in this system, including the debated quantum critical state and magnetic field-induced metamagnetic transitions at low temperature.

36 MATERIALS SCIENCE↗
NASA NTRS1973

Optical potential approach to the electron-atom impact ionization threshold problem

The problem of the threshold law for electron-atom impact ionization is reconsidered as an extrapolation of inelastic cross sections through the ionization threshold. The cross sections are evaluated from a distorted wave matrix element, the final state of which describes the scattering from the Nth excited state of the target atom. The actual calculation is carried for the e-H system, and a model is introduced which is shown to preserve the essential properties of the problem while at the same time reducing the dimensionability of the Schrodinger equation. Nevertheless, the scattering equation is still very complex. It is dominated by the optical potential which is expanded in terms of eigen-spectrum of QHQ. It is shown by actual calculation that the lower eigenvalues of this spectrum descend below the relevant inelastic thresholds; it follows rigorously that the optical potential contains repulsive terms. Analytical solutions of the final state wave function are obtained with several approximations of the optical potential.

Temkin, A.↗
DOE OSTI2021

Identification of a low-energy metastable 1 T -type phase for monolayer VSe 2

Elucidating the polymorphism of transition metal dichalcogenide layers and the interplay between structure and properties is a key challenge for the application of these materials. We identify a low-energy metastable phase of monolayer VSe 2 and elucidate its magnetic and electronic properties. This structure is distinct from the previously identified charge density wave (CDW) phase. However, while having rather distinct properties it is very close in energy to the CDW phase and is likely to be realized in experiments. Importantly, local bonding instabilities, as characterized by reconstruction of the electronic structure over a wide energy range, are important for this distortion, which includes both V off-centering in the octahedral coordination cages and a partial disproportionation into two distinct types of V. The phase does not have a ferromagnetic ground state. Furthermore, the results show that the physics of 1T–VSe 2 are richer than previously known with an interplay of Fermi surface instabilities and local bonding effects.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1986

Electric and magnetic observations of the structure of standing waves in the magnetosphere

Electric and magnetic field instruments on the DE 1 spacecraft provided observations of toroidal standing wave oscillations of magnetic shells in 1981 and 1982. The amplitude and nodal structure of these waves, as a function of increasing magnetic latitude, was studied and compared with model calculations of these waves. Eight pulsation events were selected for study. The pulsations in these events ranged in period from 20 to 300 s. They were observed at L values between 2.8 and 9.7 and at magnetic latitudes from the equator to 48 deg. The duration of these pulsation events was 20 to 30 min, and they usually consisted of a 5- to 10-min growth in amplitude, a 5- to 10-min interval of fluctuating amplitude, and a 5- to 20-min interval of decreasing amplitude. The relative E and B amplitudes and the phase relations between the E and B waves could be qualitatively explained by the nodal structure of the waves predicted by model calculations. Detailed quantitative comparisons of E and B amplitudes were in agreement with more recent model calculations. In a few cases, electron densities were also available as derived from plasma frequency observations; in these cases the standing wave periods calculated were reasonably close to, but somewhat less than, the observed periods.

Cahill, L. J., Jr.↗
NASA NTRS2023

Aqua MODIS: 20 Years of On-orbit Calibration and Performance

Since its launch in May 2002, Aqua MODIS has successfully operated for more than 20 years and has continuously generated a wide range of data products that have enabled and supported the remote sensing community and users worldwide for their studies of the Earth’s system by monitoring changes in its key environmental parameters. Although Aqua MODIS, designed with a lifetime requirement of 6 years, is currently operated in its extended mission phase, it continues to make high quality global observations of the Earth’s surface via its 36 spectral bands that cover wavelengths from visible to long-wave infrared. To date, all instrument on-board calibrators (OBC) remain capable of performing their design functions, providing various calibration data sets to help monitor on-orbit changes in sensor responses and performance characteristics. In addition to the OBC, regularly scheduled lunar observations and select Earth-view targets are used extensively to support sensor on-orbit calibration, especially for the calibration of the visible channels (or bands). In this paper, we provide an overview of Aqua MODIS on-orbit calibration activities and methodologies for both reflective solar bands (RSB) and thermal emissive bands (TEB), illustrate its on-orbit performance over the past 20 years using examples derived from OBC measurements, lunar observations, and Earth-view response trends, and describe various calibration improvements made over its entire mission. We focus on key issues identified since launch, such as solar diffuser degradation, electronic crosstalk, and on-orbit changes in sensor response versus scan-angle, along with approaches and strategies developed to mitigate their impact on sensor calibration quality. Also discussed in this paper are some of the key calibration enhancements incorporated recently in the Collection 6.1 and the upcoming Collection 7 Level-1B algorithms.

Polarization↗
DOE OSTI2018

Harnessing the relativistic Buneman instability for laser-ion acceleration in the transparency regime

Here we examine the relativistic Buneman instability in systems relevant to high-intensity laser-plasma interactions under conditions of relativistically-induced transparency, as this instability can generate large-amplitude electrostatic waves at low frequencies that are pertinent to ion dynamics in these systems. Ion flows are shown to significantly alter the range of unstable wave numbers and to increase the phase velocities of the unstable modes; we particularly highlight the relativistic effects from both the ion and electron (with transverse motion) populations. These findings are related to the mode structure seen in particle-in-cell simulation results of a short-pulse laser breaking through an initially opaque target with the onset of relativistic transparency. Additionally, driving mechanisms from free energy present in density and velocity gradients are shown to be capable of significantly enhancing the growth rates, and these instabilities furthermore extend the breadth of the unstable wave number range. We discuss how the transverse self-generated magnetic fields characteristic of short-pulse interactions can potentially constrain the unstable wave numbers in a non-trivial manner.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Benchmarks and Reliable DFT Results for Spin Gaps of Small Ligand Fe(II) Complexes

Here, all-electron fixed-node diffusion Monte Carlo provides benchmark spin gaps for four Fe(II) octahedral complexes. Standard quantum chemical methods (semilocal DFT and CCSD(T)) fail badly for the energy difference between their high- and low-spin states. Density-corrected DFT is both significantly more accurate and reliable and yields a consistent prediction for the Fe-Porphyrin complex

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1983

A theoretical model study of observed correlations between whistler mode waves and energetic electron precipitation events in the magnetosphere

A recently extended test particle computer model of the gyroresonance wave-particle interaction in the magnetosphere is applied to previously reported cases of observed correlations between whistler mode waves and ionospheric responses to particle precipitation. Three different ionospheric effects, namely, X-ray bursts, photoemissions, and D region perturbations, all correlated with VLF waves and believed to be caused by precipitated particles, are considered. The precipitation flux level, the pulse shape, and the associated time delays are computed for the parameters relevant to each case and are compared with values deduced from the data. The results demonstrate that the existing theoretical model can be useful for interpreting experimental results of this kind. Furthermore, the model results and observations, used together, provide a basis for additional diagnostics of the various parameters of the cold and energetic particle distributions in the magnetosphere. For example, when applied to the observed photoemission case (Helliwell et al., 1980) the model results imply that the trapped energetic particle distribution function at the time could be modeled as proportional to E exp -n/2 with n about 3.5 to 6, where E is the particle energy.

Chang, H. C.↗
NASA NTRS1993

Wave generation by contaminant ions near a large spacecraft

Measurements from the space shuttle flights have revealed that a large spacecraft in a low earth orbit is accompanied by an extensive gas cloud which is primarily made up of water. The charge exchange between the water molecule and the ionospheric O(+) ions produces a water ion beam traversing downstream of the spacecraft. In this report we present results from a study on the generation of plasma waves by the interaction of the water ion beams with the ionospheric plasma. Since velocity distribution function is key to the understanding of the wave generation process, we have performed a test particle simulation to determine the nature of H2O(+) ions velocity distribution function. The simulations show that at the time scales shorter than the ion cyclotron period tau(sub c), the distribution function can be described by a beam. On the other hand, when the time scales are larger than tau(sub c), a ring distribution forms. A brief description of the linear instabilities driven by an ion beam streaming across a magnetic field in a plasma is presented. We have identified two types of instabilities occurring in low and high frequency bands; the low-frequency instability occurs over the frequency band from zero to about the lower hybrid frequency for a sufficiently low beam density. As the beam density increases, the linear instability occurs at decreasing frequencies below the lower-hybrid frequency. The high frequency instability occurs near the electron cyclotron frequency and its harmonics.

Singh, N.↗
DOE OSTI2024

Understanding the superconductivity and charge density wave interaction through quasi-static lattice fluctuations

In unconventional superconductors, coupled charge and lattice degrees of freedom can manifest in ordered phases of matter that are intertwined. In the cuprate family, fluctuating short-range charge correlations can coalesce into a longer-range charge density wave (CDW) order which is thought to intertwine with superconductivity, yet the nature of the interaction is still poorly understood. Here, by measuring subtle lattice fluctuations in underdoped YBa 2 Cu 3 O 6+y on quasi-static timescales (thousands of seconds) through X-ray photon correlation spectroscopy, we report sensitivity to both superconductivity and CDW. The atomic lattice shows remarkably faster relaxational dynamics upon approaching the superconducting transition at T c ≈ 65 K. By tracking the momentum dependence, we show that the intermediate scattering function almost monotonically scales with the relaxation distance of atoms away from their average positions above T c and in the presence of the CDW state, while this peculiar trend is reversed for other temperatures. These observations are consistent with an incipient CDW stabilized by local strain. This work provides insights into the crucial role of relaxational atomic fluctuations for understanding the electronic physics cuprates, which are inherently disordered due to carrier doping.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Exploring Quantum Materials with Resonant Inelastic X-Ray Scattering

Understanding quantum materials—solids in which interactions among constituent electrons yield a great variety of novel emergent quantum phenomena—is a forefront challenge in modern condensed matter physics. This goal has driven the invention and refinement of several experimental methods, which can spectroscopically determine the elementary excitations and correlation functions that determine material properties. Here we focus on the future experimental and theoretical trends of resonant inelastic x-ray scattering (RIXS), which is a remarkably versatile and rapidly growing technique for probing different charge, lattice, spin, and orbital excitations in quantum materials. We provide a forward-looking introduction to RIXS and outline how this technique is poised to deepen our insight into the nature of quantum materials and of their emergent electronic phenomena. Published by the American Physical Society 2024

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1975

Asymptotic form of the charge-exchange cross section in three-body rearrangement collisions

A three-body general-type rearrangement collision is considered in which the initial and final bound states are described by hydrogen-like wave functions. It is shown that the charge-exchange amplitude in the first Born approximation can be expanded at all incident energies in terms of the inverse powers of the principal quantum number (n). By expanding the exchange amplitude in this way, it is demonstrated conclusively that the cross section for capture into the s, p, and d states as well as for the sum over all the angular-momentum states is proportional to 1/n-cubed plus terms proportional to higher inverse odd powers of n. It is found that the low-lying levels cannot be scaled to the 1/n-cubed law irrespective of the value of the incident energy except in the case of capture into the s states in accordance with the Oppenheimer-Brinkman-Kramers approximation. Zeros and minima in the differential cross sections are given in the limit of high principal quantum number for electron capture by protons from atomic hydrogen and for positronium formation by proton-atomic hydrogen collisions.

Omidvar, K.↗
NASA NTRS2009

Compact, Miniature MMIC Receiver Modules for an MMIC Array Spectrograph

A single-pixel prototype of a W-band detector module with a digital back-end was developed to serve as a building block for large focal-plane arrays of monolithic millimeter-wave integrated circuit (MMIC) detectors. The module uses low-noise amplifiers, diode-based mixers, and a WR10 waveguide input with a coaxial local oscillator. State-of-the-art InP HEMT (high electron mobility transistor) MMIC amplifiers at the front end provide approximately 40 dB of gain. The measured noise temperature of the module, at an ambient temperature of 300 K, was found to be as low as 450 K at 95 GHz. The modules will be used to develop multiple instruments for astrophysics radio telescopes, both on the ground and in space. The prototype is being used by Stanford University to characterize noise performance at cryogenic temperatures. The goal is to achieve a 30-50 K noise temperature around 90 GHz when cooled to a 20 K ambient temperature. Further developments include characterization of the IF in-phase (I) and quadrature (Q) signals as a function of frequency to check amplitude and phase; replacing the InP low-noise amplifiers with state-of-the-art 35-nm-gate-length NGC low-noise amplifiers; interfacing the front-end module with a digital back-end spectrometer; and developing a scheme for local oscillator and IF distribution in a future array. While this MMIC is being developed for use in radio astronomy, it has the potential for use in other industries. Applications include automotive radar (both transmitters and receivers), communication links, radar systems for collision avoidance, production monitors, ground-penetrating sensors, and wireless personal networks.

Kangaslahti, Pekka P.↗
DOE OSTI2019

Bis[2-(methacryloyloxy)ethyl] phosphate radiografted into track-etched PVDF for uranium (VI) determination by means of cathodic stripping voltammetry

Here, we report the radiation grafting of bis[2-(methacryloyloxy)ethyl] phosphate (B2MP) through electron-beam onto PVDF films and through swift heavy ions (SHI) irradiations into the pores of track-etched PVDF membranes. Radiolytically produced radicals were studied using EPR. To adapt the radiation grafting protocol inside the nanopores of track-etched membranes, the electron-beam irradiated films at varying monomer concentrations, doses and solvent mixtures were first studied. It was found that track-etched membranes, even after 1 h of chemical treatment, do not require a post-etching irradiation to initiate free-radical polymerization of B2MP from remaining radiationinduced radicals. The presence of functional groups inside the nanopores of the membrane were examined using FTIR and XPS. After exposure of B2MP-g-PVDF membranes to a uranyl solution, XPS was also exploited to evidence of O 2 UO 2 2+ trapping inside the membrane nanoporosity by tracking the presence of U 4f peak. The B2MP-g-PVDF membranes were converted into electrodes by depositing 35 nm of gold on each side through a mask. Detection of ppb concentrations (from 20 to 100 ppb) of uranyl by B2MP-g-PVDF membrane electrodes was demonstrated by means of square wave cathodic stripping voltammetry (SW-CSV). The limit of detection (LOD) was estimated to be 17 ppb (3σ–/ slope).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗