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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 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Double-ionization satellites in the x-ray emission spectrum of Ni metal

We report measurements of the nonresonant x-ray emission spectroscopy (XES) from Ni metal in an energy range spanning the Kβ diagram line, valence-to-core emission, and double-ionization (DI) satellites that appear beyond the single-particle Fermi level. We make special use of a laboratory-based x-ray spectrometer capable of both x-ray emission and x-ray absorption measurements to accurately align the XES and x-ray absorption spectra to a common energy scale. The careful alignment of energy scales is requisite for correction of the strong sample absorption of DI fluorescence above the Ni K-edge energy. The successful correction of absorption effects allows a determination of the branching ratios for the [1s3d], [1s3p] , [1s2p] and [1s2s] satellites with respect to their corresponding diagram lines. We compare our results with other work, finding good agreement with prior experiments and with theoretical calculations in the multiconfiguration Dirac-Fock framework.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2022

Polished diamond X-ray lenses

High-quality bi-concave 2D focusing diamond X-ray lenses of apex-radius R = 100 µm produced via laser-ablation and improved via mechanical polishing are presented here. Both for polished and unpolished individual lenses and for stacks of ten lenses, the remaining figure errors determined using X-ray speckle tracking are shown and these results are compared with those of commercial R = 50 µm beryllium lenses that have similar focusing strength and physical aperture. For two stacks of ten diamond lenses (polished and unpolished) and a stack of eleven beryllium lenses, this paper presents measured 2D beam profiles out of focus and wire scans to obtain the beam size in the focal plane. These results are complemented with small-angle X-ray scattering (SAXS) measurements of a polished and an unpolished diamond lens. Again, this is compared with the SAXS of a beryllium lens. The polished X-ray lenses show similar figure errors to commercially available beryllium lenses. While the beam size in the focal plane is comparable to that of the beryllium lenses, the SAXS signal of the polished diamond lenses is considerably lower.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

Anomalous dips in reflection spectra of optical polymers deposited on plasmonic metals

Abstract We have studied reflection spectra of dye-doped and undoped polymers deposited onto Ag and Au substrates and found anomalous dips in the UV spectral range. On top of Ag substrates, the λ ∼ 375 nm dips were observed in undoped PMMA, PVP, and PS polymers as well as PMMA doped with Rh590 and HITC laser dyes. In silver-based samples, the spectral positions of the observed reflection dips were close to singularities in the refractive indexes of surface plasmon polaritons (SPPs) propagating at the interface between Ag and polymer. The latter singularities can tentatively explain the λ ∼ 375 nm reflection dips, if the scattering of Ag and polymeric films is large enough to launch SPP without any prism or grating. The dips observed in reflection of Rh590:PMMA and HITC:PMMA on top of Au, were more pronounced than those on Ag, broader, shifted to shorter wavelengths, and their spectral positions had large standard deviations. Furthermore, no anomalous dips in gold-based samples were observed in the reflection spectra of undoped PMMA, PVP, and PS polymers, and a modest singularity in the SPP refractive index, predicted theoretically at λ ∼ 500 nm, cannot explain the dips in the UV reflection spectra observed experimentally. It appears likely that the origin of the reflection dips on top of Au substrates is different from that on top of Ag substrates.

36 MATERIALS SCIENCE↗
NASA NTRS1975

Physical correction filter for improving the optical quality of an image

A family of physical correction filters is described. Each filter is designed to correct image content of a photographed scene of limited resolution and includes a first filter element with a pinhole through which light passes to a differential amplifier. A second filter element through which light passes through one or more openings, whose geometric configuration is a function of the cause of the resolution loss included. The light, passing through the second filter element, is also supplied to the differential amplifier whose output is used to activate an optical display or recorder to reproduce a photograph or display of the scene in the original photograph or display of the scene in the original photograph with resolution which is significantly greater than that characterizing the original photograph.

Lee, S. Y.↗
DOE OSTI2021

Expanded Capabilities and Opportunities for Virtual Beamline Code

In the 25 years since LLNL broke ground on the National Ignition Facility (NIF) - a cornerstone of the National Nuclear Security Administration’s Stockpile Stewardship Program - the NIF and Photon Science (NIF&PS) Directorate has steadily pushed the boundaries of laser physics, nonlinear optics, and photonics in service of inertial confinement fusion experiments, and advanced photon sources development. Beyond the 192 beamlines of the primary laser facility with its world-record energy and fusion yields, NIF&PS capabilities have expanded to include chirped-pulse amplification, kilojoule petawatt-class short-pulse systems to generate hard x-ray radiographic probes, high-average power lasers as secondary sources for generation or wake field particle acceleration along directed energy applications, and other scientific pursuits. The Computing Directorate partners with NIF&PS on numerous projects and technologies from diagnostic measurements and high performance control systems to data analysis, information technology infrastructure, and scientific simulation code development. “This strong collaboration enables cutting-edge science, particularly with regard to physics-based modeling and simulation,” says physicist Jean-Michel Di Nicola. One crucial capability for NIF&PS is the Virtual Beamline (VBL) laser simulation code. It can model all the major laser physics and technology involved in the design optimization, commissioning, and operations of advanced laser architectures from tabletop to NIF-scale. VBL provides researchers with high-fidelity models and high-resolution calculations of laser performance predictions—including for the entire NIF laser system, the Advanced Radiographic Capability, parts of the High Repetition-Rate Advanced Petawatt Laser System laser delivered to the Czech Republic, and the Optical Science Laser. After more than two decades of experimentally verified physics and computing enhancements, this unique workhorse code is wrapping up another major milestone: migration from Java to C++ with a flurry of user interface and optimization features, as well as laser physics and high-resolution enhancements thanks to parallel execution on Livermore Computing platforms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Further Support of the Development of Advanced Multilayer Optics Coatings for X-Ray Imaging

SAO is working with LLNL to develop Wolter-I optics for x-ray imaging applications at energies of 15-50 keV and above at NNSA facilities. Our work includes R&D on advanced multilayer coatings as well as fabrication and testing of Wolter-I multilayer coated optics. It also includes delivery of custom 3.05-meter focal length Wolter optics with response at energies of interest to Sandia National Laboratories and LLNL. The mandrels for the custom optics are fabricated at MSFC. In previous contracts, SAO delivered several optics to LLNL with response at various energies. During this present contract period two tasks were carried out. Task1: the coating, replication and characterization of a custom optic with peak response at 22.8 keV, using the custom-designed SANZ mandrels. Task2: carrying out modifications to the coating chamber at SAO to accommodate new, longer, custom-designed mandrels (SANZlong) that will be fabricated at NASA MSFC in FY2020. The longer mandrels are necessary to mitigate end effects observed in the replication process for the small optics currently being fabricated.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Interacting dark resonances with plasmonic meta-molecules

Dark state physics has led to a variety of remarkable phenomena in atomic physics, quantum optics, and information theory. Here, we investigate interacting dark resonance type physics in multi-layered plasmonic meta-molecules. We theoretically demonstrate that these plasmonic meta-molecules exhibit sub-natural spectral response, analogous to conventional atomic four-level configuration, by manipulating the evanescent coupling between the bright and dark elements (plasmonic atoms). Using cascaded coupling, we show nearly 4-fold reduction in linewidth of the hybridized resonance compared to a resonantly excited single bright plasmonic atom with same absorbance. In addition, we engineered the geometry of the meta-molecules to realize efficient intramolecular excitation transfer with nearly 80%, on resonant excitation, of the total absorption being localized at the second dark plasmonic atom. An analytical description of the spectral response of the structure is presented with full electrodynamics simulations to corroborate our results. Such multilayered meta-molecules can bring a new dimension to higher quality factor plasmonic resonance, efficient excitation transfer, wavelength demultiplexing, and enhanced non-linearity at nanoscale.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRSDate not supplied

Coupling of Dust Mineralogy to Radiation in NASA GISS ModelE: Impact Upon Dust Optical Properties and Direct Radiative Effect

Estimates of dust direct radiative effect (DRE) are still largely uncertain mainly due to the poor constraining of regional variations of dust absorption, whose known connection with mineral composition is still largely neglected by most Earth System Models. The inaccurate knowledge of soil mineralogy and insufficient measurements of dust physical and optical properties still present the main challenges for a proper representation of the dust-radiation interaction in climate models. We recently upgraded the coupling of dust minerals to shortwave radiation in the NASA GISS ModelE. In particular, we extended the interaction to online-calculated minerals and implemented two different mixing configurations: i) external mixing of three main mineral components and ii) internal mixing of all minerals, allowing a dynamic fraction of iron oxides. We used a semi-empirical approach for the optical calculations, mostly based on aerosol chamber measurements from natural soils, aiming to reduce the influence of uncertain assumptions on the optical properties and mixing state of individual minerals. In this contribution, we present the results of our first calculations of dust optical properties and DREs based on different mixing configurations of interactive minerals. We show the changes to dust optical depth and single scattering albedo, with respect to the control case using homogeneous dust composition, and the consequent global and regional variations in dust DREs at the top of atmosphere and at surface. We also compare the model optical properties with AERONET data, filtered to identify dust scenes. We find that accounting for the diverse properties of dust minerals modifies the pattern of regional dust absorption and therefore its impact upon climate. We also show that the mineralogy effect is sensitive to the assumed mixing state of minerals.

dust direct radiative effect↗
DOE OSTI2022

Superconductor/Ferromagnet Heterostructures: A Platform for Superconducting Spintronics and Quantum Computation

The interplay between superconductivity and ferromagnetism in the superconductor/ferromagnet (SC/FM) heterostructures generates many interesting physical phenomena, including spin-triplet superconductivity, superconducting order parameter oscillation, and topological superconductivity. The unique physical properties make the SC/FM heterostructure as promising platforms for future superconducting spintronics and quantum computation applications. In this article, important research progress of SC/FM heterostructures from superconducting spintronics to quantum computation is reviewed, and it is organized as follows. First, the progress of spin current carriers in SC/FM heterostructures including Bogoliubov quasiparticles, superconducting vortex, and spin-triplet Cooper pairs which might be used for long-range spin transport is discussed. Then, the π Josephson junctions and their application for constructing π qubits are described. Finally, experimental signatures of Majorana states in the SC/FM heterostructures and the theoretically proposed manipulation are briefly reviewed, which could be useful to realize fault-tolerant topological quantum computing.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Absence of Sum Frequency Generation in Support of Orthorhombic Symmetry of α-Chitin

The native polymorphic structures of chitin, namely α- and β-chitin, were studied with X-ray diffraction (XRD), infrared and Raman spectroscopies, and sum-frequency generation (SFG) vibrational spectroscopy. The currently presented model of α-chitin crystal based on X-ray and electron diffraction study has an antiparallel chain arrangement imposed by the orthorhombic symmetry in contrast to parallel chain arrangements in β-chitin and native cellulose; yet, the natural occurrence of antiparallel chain arrangement for α-chitin is controversial to widely accepted biosynthetic mechanisms for structural polysaccharides such as chitin and cellulose, where chains are successively polymerized and crystallized in a unidirectional way. We compared the SFG signals among samples with similar crystallinity, morphology, and textures but differing in allomorphs. The SFG signal from α-chitin was ~40-fold weaker compared to β-chitin having a similar lateral dimension. The strong SFG signals arising from β-chitin can be explained by a net polar ordering of parallel packed chains. These results strongly supports the antiparallel chain orientation and high symmetry (orthorhombic) of α-chitin suggested by diffraction analysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Orbital angular momentum constraints in the variational optimization of the two-electron reduced-density matrix

The direct variational determination of the two-electron reduced-density matrix (2-RDM) corresponding to an atomic or molecular system is usually carried out in a basis of real-valued atom-centered Gaussian basis functions, under the assumption that the 2-RDM is a real-valued quantity. Furthermore, for systems that possess orbital angular momentum symmetry, the description of states with a well-defined, nonzero z projection of the orbital angular momentum requires a computational framework generalized to include either complex basis functions or a complex-valued 2-RDM. We consider a semidefinite program suitable for the direct optimization of a complex-valued 2-RDM and explore the role of orbital angular momentum constraints in systems that possess the relevant symmetries. For atomic systems, constraints on the expectation values of the square and z projection of the orbital angular momentum operator allow one to optimize 2-RDMs for multiple orbital angular momentum states. Similarly, in linear molecules, orbital angular momentum projection constraints enable the description of multiple electronic states and, moreover, the application of such constraints is essential for a qualitatively correct description of the electronic structure. For example, in the case of molecular oxygen, we demonstrate that orbital angular momentum constraints are necessary to recover the correct energy ordering of the lowest-energy singlet and triplet states near the equilibrium geometry. However, care must still be taken in the description of the dissociation limit, because the 2-RDM-based approach is not size consistent, and the size-consistency error varies dramatically, depending on the z projections of the spin and orbital angular momenta.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2019

Crystal-momentum-resolved contributions to high-order harmonic generation in solids

We analytically and numerically investigate the emission of high-order harmonic radiation from model solids by intense few-cycle midinfrared laser pulses. In single-active-electron approximation, we expand the active electron's wave function in a basis of adiabatic Houston states and describe the solid's electronic band structure in terms of an adjustable Kronig-Penney model potential. For high-order harmonic generation (HHG) from MgO crystals, we examine spectra from two-band and converged multiband numerical calculations. We discuss the characteristics of intra- and interband contributions to the HHG spectrum for computations including initial crystal momenta either from the Γ point at the center of the first Brioullin zone (BZ) only or from the entire first BZ. For sufficiently high intensities of the driving laser field, we find relevant contributions to HHG from the entire first BZ. Here, based on numerically calculated spectra, we scrutinize the cutoff harmonic orders as a function of the laser peak intensity and find good qualitative agreement with our analytical saddle-point-approximation predictions and published theoretical data.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Minimally entangled state preparation of localized wave functions on quantum computers

Initializing a single site of a lattice scalar field theory into an arbitrary state with support throughout the quantum register requires $O(2^{nQ})$ entangling gates on a quantum computer with $n_Q$ qubits per site. It is conceivable that instead initializing to functions that are good approximations to states may have utility in reducing the number of required entangling gates. In the case of a single site of a noninteracting scalar field theory, initializing to a symmetric exponential wave function requires $n_Q – 1$ entangling gates, the minimal number necessary to create an entangled state of all $n_Q$ qubits. This is compared with the $2^{nQ – 1} + n_Q – 3 + δ_{nQ, 1}$ required for a symmetric Gaussian wave function. In this work, we explore the initialization of one-site $(n_Q = 4)$, two-site $(n_Q = 3)$, and three-site ( n Q = 3 ) noninteracting scalar field theories with symmetric exponential wave functions using IBM's quantum simulators and quantum devices (Poughkeepsie and Tokyo). With the digitizations attainable with $n_Q = 3,4$, these tensor-product wave functions are found to have large overlap with a Gaussian wave function and provide a suitable low-noise initialization for improvement and Somma inflation. Further, in performing these simulations, we have employed a workflow that interleaves calibrations to mitigate systematic errors in production. The calibrations allow tolerance cuts on gate performance including the fidelity of the symmetrizing Hadamard gate, both in vacuum $(|\textbf{0}\gg^{\bigotimes nQ})$ and in medium ($n_Q –1$ qubits initialized to an exponential function). The results obtained in this work are relevant to systems beyond scalar field theories, such as the deuteron radial wave function, two- and three-dimensional Cartesian-space wave functions, and nonrelativistic multinucleon systems built on a localized eigenbasis.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Exact two-body expansion of the many-particle wave function

Progress toward the solution of the strongly correlated electron problem has been stymied by the exponential complexity of the wave function. Previous work established an exact two-body exponential product expansion for the ground-state wave function. By developing a reduced density-matrix analog of Dalgarno-Lewis perturbation theory, we prove here that (i) the two-body exponential product expansion is rapidly and globally convergent with each operator representing an order of a renormalized perturbation theory, (ii) the energy of the expansion converges quadratically near the solution, and (iii) the expansion is exact for both ground and excited states. The two-body expansion offers a reduced parametrization of the many-particle wave function as well as the two-particle reduced density matrix with potential applications on both conventional and quantum computers for the study of strongly correlated quantum systems. In this work, we demonstrate the result with the exact solution of the contracted Schrödinger equation for the molecular chains H 4 and H 5 .

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Electron interference in atomic ionization by two crossing polarized ultrashort pulses

Formation of geometrically regular interference patterns in the photoelectron momentum distributions (PMDs) corresponding to the photoionization of atoms by two single-color, crossing ultrashort pulses is investigated both analytically and numerically. It is shown that, in contrast to the photoionization by monochromatic pulses, PMDs for the ionization by crossing and co-propagating broadband pulses are essentially different (unless both pulses are linearly polarized), namely, when one pulse is linearly polarized along the propagation direction, ˆk, of the circularly polarized (CP) pulse, then interference maxima (minima) of the ionization probability have the form of three-dimensional single-arm regular spirals which are wound along ˆk. Next, the interference maxima (minima) of the ionization probability by a pair of crossing elliptically polarized pulses have the form of either Newton's rings or two-arm Fermat's spirals, depending on the position of a detection plane. Remarkably, these regular patterns occur only for certain values of the pulse ellipticities, and they become distorted for CP pulses. For both above-mentioned pulse configurations, the features of interference patterns depend on the time delay between pulses, their relative electric field amplitude, and relative carrier-envelope phase. Our predictions, illustrated by the numerical results for the ionization of H and He atoms by two orthogonal pulses, are quite general and we expect them to be valid for the ionization of any randomly oriented atomic or molecular target.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2022

Coherent manipulation of graph states composed of finite-energy Gottesman-Kitaev-Preskill-encoded qubits

Graph states are a central resource in measurement-based quantum information processing. In the photonic qubit architecture based on Gottesman-Kitaev-Preskill (GKP) encoding, the generation of high-fidelity graph states composed of realistic, finite-energy approximate GKP-encoded qubits thus constitutes a key task. We consider the finite-energy approximation of GKP-qubit states given by a coherent superposition of shifted finite-squeezed vacuum states, where the displacements are Gaussian distributed. We present an exact description of graph states composed of such approximate GKP qubits as a coherent superposition of a Gaussian ensemble of randomly displaced ideal GKP-qubit graph states. Using standard Gaussian dynamics, we track the transformation of the covariance matrix and the mean-displacement vector elements of the Gaussian distribution of the ensemble under tools such as GKP-Steane error-correction and fusion operations that can be used to grow large high-fidelity GKP-qubit graph states. The covariance matrix elements capture the noise in the graph state due to the finite-energy approximation of GKP qubits, while the mean displacements relate to the possible absolute shift errors on the individual qubits arising conditionally from the homodyne measurements that are a part of these tools. Our work thus pins down an exact coherent error model for graph states generated from truly finite-energy GKP qubits, which can shed light on their error-correction properties.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Many-fermion simulation from the contracted quantum eigensolver without fermionic encoding of the wave function

Quantum computers potentially have an exponential advantage over classical computers for the quantum simulation of many-fermion quantum systems. Nonetheless, fermions are more expensive to simulate than bosons due to the fermionic encoding—a mapping by which the qubits are encoded with fermion statistics. Here we generalize the contracted quantum eigensolver (CQE) to avoid fermionic encoding of the wave function. In contrast to the variational quantum eigensolver, the CQE solves for a many-fermion stationary state by minimizing the contraction (projection) of the Schrödinger equation onto two fermions. We avoid fermionic encoding of the wave function by contracting the Schrödinger equation onto an unencoded pair of particles. Solution of the resulting contracted equation by a series of unencoded two-body exponential transformations generates an unencoded wave function from which the energy and two-fermion reduced density matrix (2-RDM) can be computed. We apply the unencoded and the encoded CQE algorithms to the hydrogen fluoride molecule, the dissociation of oxygen O 2 , and a series of hydrogen chains. Both algorithms show comparable convergence towards the exact ground-state energies and 2-RDMs, but the unencoded algorithm has computational advantages in terms of state preparation and tomography.

74 ATOMIC AND MOLECULAR PHYSICS↗