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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 1,171 records · Page 65
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Quantum simulation of bosons with the contracted quantum eigensolver

Abstract Quantum computers are promising tools for simulating many-body quantum systems due to their potential scaling advantage over classical computers. While significant effort has been expended on many-fermion systems, here we simulate a model entangled many-boson system with the contracted quantum eigensolver (CQE). We generalize the CQE to many-boson systems by encoding the bosonic wavefunction on qubits. The CQE provides a compact ansatz for the bosonic wave function whose gradient is proportional to the residual of a contracted Schrödinger equation. We apply the CQE to a bosonic system, where N quantum harmonic oscillators are coupled through a pairwise quadratic repulsion. The model is relevant to the study of coupled vibrations in molecular systems on quantum devices. Results demonstrate the potential efficiency of the CQE in simulating bosonic processes such as molecular vibrations with good accuracy and convergence even in the presence of noise.

Physics↗
DOE OSTI2021

Foundations of variational discrete action theory

Variational wave functions and Green's functions are two important paradigms for solving quantum Hamiltonians, each having their own advantages. Here we detail the variational discrete action theory (VDAT), which exploits the advantages of both paradigms in order to approximately solve the ground state of quantum Hamiltonians. VDAT consists of two central components: the sequential product density matrix (SPD) ansatz and a discrete action associated with the SPD. The SPD is a variational ansatz inspired by the Trotter decomposition and characterized by an integer $\mathscr{N}$, recovering many well-known variational wave functions, in addition to the exact solution for $\mathscr{N}$ = ∞. The discrete action describes all dynamical information of an effective integer time evolution with respect to the SPD. We generalize the path integral to our integer time formalism, which converts a dynamic correlation function in integer time to a static correlation function in a compound space. We also generalize the usual many-body Green's function formalism to integer time, which results in analogous but distinct mathematical structures, yielding integer time versions of the generating functional, Dyson equation, and Bethe-Salpeter equation. We prove that the SPD can be exactly evaluated in the multiband Anderson impurity model (AIM) by summing a finite number of diagrams. For the multiband Hubbard model, we prove that the self-consistent canonical discrete action approximation (SCDA), which is the integer time analog of the dynamical mean-field theory, exactly evaluates the SPD for d = ∞. VDAT within the SCDA provides an efficient yet reliable method for capturing the local physics of quantum lattice models, which will have broad applications for strongly correlated electron materials. More generally, VDAT should find applications in various many-body problems in physics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1987

Small Al clusters. II - Structure and binding in Al(n) (n = 2-6, 13)

The structure and stability of aluminum clusters containing up to six atoms have been studied using correlated wave functions and extended basis sets. The lowest energy structure is planar for Al4 and Al5, but three dimensional for Al6. The icosahedral, hcp, fcc, and two planar structures of Al13 were considered at the SCF level. The lowest energy structure is the icosahedron, but the planar structures are fairly low lying even in this case. A simplified description using two- and three-body interaction potentials is found to agree well with the ab initio structures and binding energies.

Pettersson, Lars G. M.↗
NASA NTRS1990

Theoretical models of gas dynamics and star formation in interacting ring galaxies

A series of one and two dimensional hydrodynamic simulations of a ring wave in interstellar gas disks was completed. These calculations included nonlinear source terms to model the effects of interstellar interactions and star formation, as well as the spatial-temporal gas flow. Toomre's kinematical model was merged with the Arnold, Shandarin, and Zeldovich 'pancake' theory of caustics in galaxy formation. The resulting theory can describe almost all the structure in restricted three-body simulations of single-pass collisions, even with multi-component potentials. Off-center galactic collisions were studied to understand the dynamics involved. Multi-color optical and near-infrared observations of faint tidal features were performed in about two dozen interacting galaxies selected from the Arp atlas. This sample provided evidence for ongoing star formation in tidal structures, and even enhancements of star formation in some cases. The task of assembling the data for gas-rich, late-type galaxies, was undertaken to see if a more coherent picture of the gas distribution would emerge from the more complete data. Analytic solutions of the equations with subsonic flows to balance gas consumption for expulsion form a galactic fountain were also derived.

Struck-Marcell, Curtis↗
NASA NTRS1992

UV variability and the nature of the continuum source in NGC5548

The short-wave UV continuum of NGC5548 varied quasi-periodically during the IUE monitoring from December 1988 to August 1989. The spectral index of this SWP continuum varied in tight correlation with it, inviting comparison with models to search for clues to the physical nature of the continuum source. The observed covariation of spectral index and continuum are consistent with the model of a black body of constant area (that of a sphere the size of Neptune's orbit) but variable temperature ( 18,000K to 25,000 K). A thin accretion disk around a black hole may also be consistent with this data if the accretion rate can be variable on time scales of 100 days while remaining uniform across the disk. There is marginal evidence for hysteresis in which spectral index changes lead changes in the SWP flux, although the CCF peaks at zero time lag.

Stoner, R. E.↗
NASA NTRS1994

Numerical Simulation of Shock-Induced Combustion Past Blunt Bodies Using Shock-Fitting Technique

Two-dimensional axisymmetric, reacting viscous flow over blunt projectiles is computed to study shock induced combustion at Mach 5.11 and Mach 6.46 in hydrogen-air mixture. A finite-difference, shock-fitting method is used to solve the complete set of Navier Stokes and species conservation equations. In this approach, the bow shock represents a boundary of the computational domain and is treated as a discontinuity across which Rankine-Hugoniot conditions are applied. All interior details of the flow such as compression waves, reaction front, and the wall boundary layer are captured automatically in the solution. Since shock-fitting approach reduces the amount of artificial dissipation, all the intricate details of the flow are captured much more clearly than has been possible with the shock-capturing approach. This has allowed an improved understanding of the physics of shock-induced combustion over blunt projectiles and the numerical results can now be explained more readily with one dimensional wave-interaction model than before.

Ahuja, J. K.↗
DOE OSTI2025

Acoustic misalignment mechanism for axion dark matter

A rotation in the field space of a complex scalar field corresponds to a Bose-Einstein condensation of U(1) charges. We point out that fluctuations in this rotating condensate exhibit sound-wave modes, which can be excited by cosmic perturbations and identified with axion fluctuations once the U(1) charge condensate has been sufficiently diluted by cosmic expansion. We consider the possibility that these axion fluctuations constitute dark matter and develop a formalism to compute its abundance. We carefully account for the growth of fluctuations during the epoch where the complex scalar field rotates on the body of the potential and possible nonlinear evolution when the fluctuations become non-relativistic. We find that the resultant dark matter abundance can exceed the conventional and kinetic misalignment contributions if the radial direction of the complex scalar field is sufficiently heavy. The axion dark matter may also be warm enough to leave imprints on structure formation. We discuss the implications of this novel dark matter production mechanism — acoustic misalignment mechanism — for the axion rotation cosmology, including kination domination and baryogenesis from axion rotation, as well as for axion searches.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Advanced Power Systems Measurements: A Literature Review

In 2020, a literature survey was performed as part of a project aimed at producing guidance for the Department of Energy in the form of a Roadmap. The topic of the Roadmap was measurement. That was viewed as being generally underrepresented in consideration of sensing and measurement or instrumentation and measurement. Sensing is just the beginning of a process, and the instrument is just the container for the process. Measurement, the experimental process, has acquired a considerable body of theory over the last few decades, theory that is not widely taught and disseminated. The results of the survey can be said broadly to reflect that lack of appreciation. Specifically, the review found that there is support for the development of a more “capable” PMU. New algorithms and new documentary standards will be needed. Some of the findings are: (1) Point-on-wave technology adds new capability to the existing suite of measurements, and could allow for improved operation and protection (2) Power quality analysis has historically been concerned with assessment of how non-sinusoidal the delivered voltage shows promise in signature recognition, a departure from the modeling that has historically characterized power system measurements. (3) The PMU is assed as being a remarkable measurement system, but its performance is held back by the lack of understanding of the measurement theory underpinning its operation. (4) The PMU is being considered for application in the distribution system. There is a danger that it will be seen only in the light of the successful PMU implementation in transmission, and the two have different requirements. These various expansions of measurements will no doubt benefit from a better appreciation of the theoretical aspects of measurement. In this, and other, regards, our survey of the literature has identified gaps as well as possibilities.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2023

Correlating Tomographic Chemical Inhomogeneity and Low Energy Electronic Structure in Layered Quantum Materials

Photoemission spectroscopy (PES) is a suite of experimental tools to learn about the electronic and chemical structure of materials and surfaces. Normally implemented in a surface-sensitive manner, the research performed under this grant focused on pushing PES into less explored regimes, to reveal bulk electronic structure, to reveal tomographic (layer-resolved) chemistry and electronic structure of layered materials and heterostructures, and to reveal interface phenomena at the junction of two different materials. Standing wave (SW) spectroscopies have also been applied to PdCoO2, a material of interest due to its high conductivity and electron-hydrodynamic tendencies. This material can be modeled as an alternating layered structure consisting of metallic Pd layers and insulating CoO2 layers. Using SW XPS, the total electronic structure has been decomposed into contributions from the two layers, and computations highlighted the different many-body interactions in the two layers (Comm. Phys. 4, 143 (2021)). We have also used hard-x-ray angle-resolved photoemission spectroscopy (ARPES), to investigate LaB6, a technologically important material with widespread application as a cathode material for electron microscopes. We measured the bulk electronic structure of this material and found that the one-step model of photoemission better captured the electronic structure and correlations. This model treats the three steps of the photoemission process—excitation, transport of the photoelectron to the crystal surface, and escape into the vacuum—as a single quantum mechanically coherent process (Phys. Rev. Mater. 5, 055002 (2021)). We also applied x-ray photoelectron spectroscopy, implemented in a near total reflection grazing incidence geometry to elucidate technologically relevant interfaces, such as those between a substrate and photoresist (J. Phys. D: Appl. Phys. 54 464002 (2021)).

36 MATERIALS SCIENCE↗
NASA NTRS1973

The end of the iron-core age.

The terrestrial planets aggregated essentially from small particles, to begin as solid cool bodies with the same general compositions, and there is no possibility of an iron-core developing within any of them at any stage. Their differing internal and surface properties receive ready explanation from their different masses which determine whether the pressures within are sufficient to bring about phase-changes. The claim that the terrestrial core can be identified by means of shock-wave data as nickel-iron is based on theoretical misconception, whereas the actual seismic data establish an uncompressed-density value much lower than any such mixture could have. The onset of the Ramsey phase-change in the earth takes the form of a rapid initial collapse to produce a large core in metallic state which thereafter continues to grow secularly as a result of radioactive heating and leads to reduction of surface-area at long last adequate to account for folded and thrusted mountain-building.

Lyttleton, R. A.↗
NASA NTRS1976

Table and charts of equilibrium normal-shock and shock-tube properties for pure carbon dioxide with velocities from 1 to 16 km/sec

Equilibrium thermodynamic and flow properties are presented in tabulated and graphical form for moving, standing, and reflected normal shock waves in pure CO2. Properties include pressure, temperature, density, enthalpy, speed of sound, entropy, molecular weight ratio, isentropic exponent, velocity, and species mole fractions. Incident (moving) shock velocities are varied from 1 to 16 km/sec for a range of initial pressure of 5 N/sq m to 500 kN/sq m. The present results are applicable to shock tube flows and to freeflight conditions for a blunt body at high velocities. Working charts illustrating idealized shock tube performance with CO2 test gas and heated helium and hydrogen driver gases are also presented.

Miller, C. G., III↗
NASA NTRS1986

Rarefied aerodynamics and upper atmosphere density from multiple orbiter flight measurements

Flight data from six flights of the experimental High Resolution Accelerometer Package (HIRAP), a micro-g accelerometer system, have been analyzed to produce rarefied flow aerodynamic coefficients of the Orbiter and freestream density in the altitude range from 60 km to 160 km. The direct measurements of the lift to drag ratio (L/D) are used to obtain individual normalized body-axis force coefficients in a least-squares regression scheme. An aerodynamics model based on an exponential function of Knudsen number is used for the individual coefficients. The calculated L/D from the flight determined coefficients agree with the multiple flight data measurements to within about 5 percent. Simultaneously, an upper altitude density variation is also obtained from the data. Density altitude profiles exhibit a wave feature on all flights. The wave has an amplitude of about + or - 25 percent relative to the 1962 Standard atmosphere model.

Buck, G. M.↗
NASA NTRS2024

Improved Chemistry and Attenuation Models for Communication Blackout Simulation During Mars 2020 Entry

As a blunt body enters a planetary atmosphere, a plasma forms in the hypersonic shock layer and attenuates radio communication causing signal blackout for some duration of the entry sequence. In our previous work,1 computational fluid dynamics (CFD) was applied to model the entry flow around the Mars 2020 spacecraft, including ionization and electron density throughout the flow field, and predict ultra-high frequency (UHF) radio wave attenuation due to electrons. In total, 17 chemical species and their spatial profiles are modelled around the Mars 2020 spacecraft at 11 different points in time during entry. Although the simulation predicted the onset of attenuation well, the timing of the end of the predicted blackout window significantly preceded the end time observed during the 2021 landing. The present work seeks to improve the attenuation model by accounting for the fact that electrons undergo collisions with heavier species in the flow, which is an effect that was neglected in previous analyses. It is determined that including electron collisions increases the overall magnitude of attenuation predicted especially towards the end of the measured attenuation period, improving qualitative agreement between predicted and measured attenuation to both spacecraft receiving the signal from Mars 2020. To explore the remaining uncertainty in signal attenuation predictions further, a sensitivity study is performed to investigate the impact of associative ionization and electron-impact ionization rate coefficients on the electron density predicted by CFD and on the resulting attenuation predictions. These coefficients are believed to contain up to order-of-magnitude uncertainty, and therefore may significantly affect the number density of electrons throughout the flow field. Variations in associative ionization coefficients demonstrate significant impact on the magnitude of attenuation due to variation in the electron density coming from associative ionization. However, the start and end times of the predicted signal attenuation period are only slightly impacted by said variation.

Eve Papajak↗
NASA NTRS2024

Improved Chemistry and Attenuation Models for Communication Blackout Simulation During Mars 2020 Entry

As a blunt body enters a planetary atmosphere, a plasma forms in the hypersonic shock layer and attenuates radio communication causing signal blackout for some duration of the entry sequence. In our previous work,1 computational fluid dynamics (CFD) was applied to model the entry flow around the Mars 2020 spacecraft, including ionization and electron density throughout the flow field, and predict ultra-high frequency (UHF) radio wave attenuation due to electrons. In total, 17 chemical species and their spatial profiles are modelled around the Mars 2020 spacecraft at 11 different points in time during entry. Although the simulation predicted the onset of attenuation well, the timing of the end of the predicted blackout window significantly preceded the end time observed during the 2021 landing. The present work seeks to improve the attenuation model by accounting for the fact that electrons undergo collisions with heavier species in the flow, which is an effect that was neglected in previous analyses. It is determined that including electron collisions increases the overall magnitude of attenuation predicted especially towards the end of the measured attenuation period, improving qualitative agreement between predicted and measured attenuation to both spacecraft receiving the signal from Mars 2020. To explore the remaining uncertainty in signal attenuation predictions further, a sensitivity study is performed to investigate the impact of associative ionization and electron-impact ionization rate coefficients on the electron density predicted by CFD and on the resulting attenuation predictions. These coefficients are believed to contain up to order-of-magnitude uncertainty, and therefore may significantly affect the number density of electrons throughout the flow field. Variations in associative ionization coefficients demonstrate significant impact on the magnitude of attenuation due to variation in the electron density coming from associative ionization. However, the start and end times of the predicted signal attenuation period are only slightly impacted by said variation.

Eve Papajak↗
DOE OSTI2023

Analysis of Three Body Decays in Quasi-Real Photoproduction

This thesis presents preliminary measurements of the moments of angular distribution for the K?K+ mesonic final state using a quasi-real, linearly polarised photon. Two of the main points of focus for this analysis were the development of the formalism for photoproduced vector-pseudoscalar decay and the tools by which the analysis was carried out. The formalism described how the moments of angular distribution could be extracted from the angular decay variables, and how they related to resonance decays in terms of partial waves. In extracting the moments, it was found that adapted Markov Chain Monte Carlo (MCMC) methods proved to be more effective in terms of extracting results from the data compared to the sole use of gradient descent based fitting algorithms. These measurements are complementary to other decay channels and production mechanisms, with the global aim of probing the existence of exotic mesons. Data from this analysis was taken by the CLAS collaboration at the Thomas Jefferson National Accelerator Facility (JLab) by scattering from a liquid hydrogen target using a 10.6 GeV electron. This work was done within the MesonEx program at CLAS12 that aims to map the spectrum of mesons, and in doing so, gain a greater understanding of Quantum ChromoDynamics (QCD) and the strong force.

Wishart, Robert↗
NASA NTRS1994

Numerical simulation of shock-induced combustion past blunt bodies using shock-fitting technique

Two-dimensional axisymmetric, reacting viscous flow over blunt projectiles is computed to study shock-induced combustion at Mach 5.11 and Mach 6.46 in hydrogen-air mixture. A finite-difference, shock-fitting method is used to solve the complete set of Navier-Stokes and species conservation equations. In this approach, the bow shock represents a boundary of the computational domain and is treated as a discontinuity across which Rankine-Hugoniot conditions are applied. All interior details of the flow such as compression waves, reaction front, and the wall boundary layer are captured automatically in the solution. Since shock-fitting approach reduces the amount of artificial dissipation, all the intricate details of the flow are captured much more clearly than has been possible with the shock-capturing approach. This has allowed an improved understanding of the physics of shock-induced combustion over blunt projectiles and the numerical results can now be explained more readily with one-dimensional wave-interaction model than before.

Ahuja, J. K.↗
NASA NTRS1972

Deformed Brueckner-Hartree-Fock calculations

The renormalized Brueckner-Hartree-Fock (RBHF) theory for many-body nuclear systems is generalized to permit calculations for intrinsic states having permanent deformation. Both Hartree-Fock and Brueckner self-consistencies are satisfied, and details of the numerical techniques are discussed. The Hamada-Johnston interaction is used in a study of deformations, binding, size, and separation energies for several nuclei. Electromagnetic transition rates, moments, and electron scattering form factors are calculated using nuclear wave functions obtained by angular momentum projection. Comparison is made to experiment as well as to predictions of ordinary and density-dependent Hartree-Fock Theory.

Ford, W. F.↗
NASA NTRS2013

Optimal Shape Design of Mail-Slot Nacelle on N3-X Hybrid Wing-Body Configuration

System studies show that a N3-X hybrid wing-body aircraft with a turboelectric distributed propulsion system using a mail-slot inlet/nozzle nacelle can meet the environmental and performance goals for N+3 generation transports (three generations beyond the current air transport technology level) set by NASA's Subsonic Fixed Wing Project. In this study, a Navier-Stokes flow simulation of N3-X on hybrid unstructured meshes was conducted, including the mail-slot propulsor. The geometry of the mail-slot propulsor was generated by a CAD (Computer-Aided Design)-free shape parameterization. A novel body force model generation approach was suggested for a more realistic and efficient simulation of the flow turning, pressure rise and loss effects of the fan blades and the inlet-fan interactions. Flow simulation results of the N3-X demonstrates the validity of the present approach. An optimal Shape design of the mail-slot nacelle surface was conducted to reduce strength of shock waves and flow separations on the cowl surface.

Kim, Hyoungjin↗