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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 343 records · Page 19

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NASA NTRS1982

On the structure of an underexpanded rectangular jet

An underexpanded jet of air issuing from a converging rectangular nozzle of moderate aspect ratio was investigated. Schileren pictures of the flow field along with hot-wire measurements in the jet were obtained at different pressure ratios. At the pressure ratio corresponding to the maximum screeching sound, Schlieren photographs show a very strong organized cylindrical wave pattern on either side of the jet, with their respective sources being located at the end of the third shock cell. Associated with this wave pattern is a large increase in the angle of spread of the jet. It is shown that the self excitation helps to induce large-scale vortical motions in the jet both in the plane containing the small dimension of the nozzle and in the plane containing the long dimension of the nozzle. However, the locations of these structures are different in the two planes. Nevertheless, the characteristic Strouhal number corresponding to these large-scale structures in both planes is the same and equal to 0.12. The influence of the self excitation on the mean velocities and rms intensities was also investigated. For the full range of pressure ratios studied, similarity was found in the mean velocity and rms intensity profiles in the two central planes beyond 80 widths downstream of the nozzle exit. However, the shapes of the similarity profiles are different in the two planes.

Krothapalli, A.↗

NASA NTRS1975

On the computation of two- and three-dimensional steady transonic flows by relaxation methods

The paper is concerned with the application of the Murman and Cole (1971) relaxation scheme to steady, inviscid transonic flow problems in two and three dimensions. This scheme, which automatically accounts for weak shock waves, uses separate difference operators in elliptic and hyperbolic regions. The details of the scheme are described in terms of the original small disturbance formulation of Murman and Cole. In particular, Murman's recent (1973) introduction of fully conservative difference operators to obtain the correct shock jumps is examined. The extension to treating the exact isentropic equation is then covered with special attention given to Jameson's (to appear) rotated difference scheme for supersonic flow regions. The bulk of the discussion is related to two-dimensional procedures, and some comparisons with experiment are made, with emphasis on the effects of viscosity and wind-tunnel walls. Application of the Murman-Cole scheme is then discussed for small disturbances in three dimensions.

Bailey, F. R.↗

DOE OSTI2022

High-order accurate finite difference discretisations on fully unstructured dual quadrilateral meshes

Here, we present a novel approach for high-order accurate numerical differentiation on unstructured meshes of quadrilateral elements. To differentiate a given function, an auxiliary function with greater smoothness properties is defined which when differentiated provides the derivatives of the original function. The method generalises traditional finite difference methods to meshes of arbitrary topology in any number of dimensions for any order of derivative and accuracy. We demonstrate the accuracy of the numerical scheme using dual quadrilateral meshes and a refinement method based on subdivision surfaces. The scheme is applied to the solution of a range of partial differential equations, including both linear and nonlinear, second and fourth order equations, and a time-dependent first order equation.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Role of generic scale invariance in a Mott transition from a U(1) spin-liquid insulator to a Landau Fermi-liquid metal

Highlights: • We look at the role played by generic scale invariance (GSI) in the phase transition between a U(1) spin liquid and a Fermi liquid. • We identify dangerously irrelevant operators in the renormalization group transformation, involved with the GSI. • We highlight novel mean-field dynamics of this Mott quantum criticality, resulting from the GSI. We investigate the role of generic scale invariance in a Mott transition from a U(1) spin-liquid insulator to a Landau Fermi-liquid metal, where there exist massless degrees of freedom in addition to quantum critical fluctuations. Here, the Mott quantum criticality is described by critical charge fluctuations, and additional gapless excitations are U(1) gauge-field fluctuations coupled to a spinon Fermi surface in the spin-liquid state, which turn out to play a central role in the Mott transition. An interesting feature of this problem is that the scaling dimension of effective leading local interactions between critical charge fluctuations differs from that of the coupling constant between U(1) gauge fields and matter-field fluctuations in the presence of a Fermi surface. As a result, there appear dangerously irrelevant operators, which can cause conceptual difficulty in the implementation of renormalization group (RG) transformations. Indeed, we find that the curvature term along the angular direction of the spinon Fermi surface is dangerously irrelevant at this spin-liquid Mott quantum criticality, responsible for divergence of the self-energy correction term in U(1) gauge-field fluctuations. Performing the RG analysis in the one-loop level based on the dimensional regularization method, we reveal that such extremely overdamped dynamics of U(1) gauge-field fluctuations, which originates from the emergent one-dimensional dynamics of spinons, does not cause any renormalization effects to the effective dynamics of both critical charge fluctuations and spinon excitations. However, it turns out that the coupling between U(1) gauge-field fluctuations and both matter-field excitations still persists at this Mott transition, which results in novel mean-field dynamics to explain the nature of the spin-liquid Mott quantum criticality. We discuss physical implications of effective one-dimensional spin dynamics and extremely overdamped gauge dynamics at the Mott quantum criticality.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Concentric core-shell tracks and spectroscopic properties of SrTiO 3 under intense electronic excitation

A deeper understanding of the intrinsic link between the irradiation-induced microstructures and the corresponding spectroscopic properties is becoming increasingly attractive for the research fields of materials science, physics, and information technology. In this work, the structural damage response, spectroscopic features, and associated physical mechanisms of SrTiO 3 single crystals under swift heavy ion irradiation were comparatively analyzed using a combination of experimental and theoretical approaches. Corresponding to 0.11–5.00 MeV/u ion irradiation with electronic energy loss ranging from 4.0 to 29.3 keV/nm, the inelastic thermal spike calculations combined with molecular dynamics simulations are compared with the experimental observations, revealing the track fine structures (individual spherical defects with a disordered region, and discontinuous and continuous tracks consisting of an amorphous core and a disordered outer shell) and demonstrating the dominant effects of the deposition energy and lattice temperature on track damage formation and evolution; thus, two essential thresholds for defect formation of ~0.60 eV/atom and amorphous region formation of ~1.81 eV/atom were identified to better describe the concentric core-shell track structure. The enhanced nanohillock formation in the surface region is attributed to the combined action of kinetic and potential energy depositions, and the fluence dependence in regulating the hillock dimensions is also presented. The measured refractive index profiles along different crystal axes further indicate the anisotropy of irradiation-induced lattice expansion. With increasing ion fluence and damage level, the intrinsic bandgap gradually decreased, and the concentration of additional radiative recombination centers (1.81 eV, 2.31 eV, and 2.42 eV) accordingly increased in the SrTiO 3 crystal, providing the possibility of regulating related defects to achieve tunable/selective photon emission for more critical technological applications.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2021

Statistical description of coalescing magnetic islands via magnetic reconnection

The physical picture of interacting magnetic islands provides a useful paradigm for certain plasma dynamics in a variety of physical environments, such as the solar corona, the heliosheath and the Earth's magnetosphere. In this work, we derive an island kinetic equation to describe the evolution of the island distribution function (in area and in flux of islands) subject to a collisional integral designed to account for the role of magnetic reconnection during island mergers. This equation is used to study the inverse transfer of magnetic energy through the coalescence of magnetic islands in two dimensions. We solve our island kinetic equation numerically for three different types of initial distribution: Dirac delta, Gaussian and power-law distributions. The time evolution of several key quantities is found to agree well with our analytical predictions: magnetic energy decays as $\tilde {t}^{-1}$ , the number of islands decreases as $\tilde {t}^{-1}$ and the averaged area of islands grows as $\tilde {t}$ , where $\tilde {t}$ is the time normalised to the characteristic reconnection time scale of islands. General properties of the distribution function and the magnetic energy spectrum are also studied. Finally, we discuss the underlying connection of our island-merger models to the (self-similar) decay of magnetohydrodynamic turbulence.

Physics↗

DOE OSTI2026

Effects of the next-nearest-neighbor hopping on the low-dimensional Hubbard model: ferromagnetism, antiferromagnetism, and superconductivity

The Hubbard model has attracted considerable interest due to its prototypical role in describing strongly interacting electronic systems, such as high-critical-temperature superconductors as well as many novel quantum materials. By introducing next-nearest-neighbor (NNN) hoppings to the Hubbard model, the phase diagram becomes richer, and fascinating phenomena arise in both, one-dimensional chains and square lattices, such as: antiferromagnetism, ferromagnetism, superconductivity (SC), as well as charge orders, among others. Moreover, NNN hoppings play a fundamental role in understanding effects of doping on magnetism and pairing orders in strongly interacting regimes. In this article, we review the recent progress in understanding the different competing phases of this model in one and two dimensions from a computational perspective. In conclusion, we comment on the pressing technical challenges, illustrate the controversial results concerning the emergence of the SC phase, and conclude with our perspectives on future explorations.

Hubbard model↗

DOE OSTI2026

Scattering Processes from Quantum Simulation Algorithms for Scalar Field Theories

We provide practical simulation methods for scalar field theories on a quantum computer that yield improved asymptotics as well as concrete gate estimates for the simulation and physical qubit estimates using the surface code. We achieve these improvements through two optimizations. First, we consider a finite volume approach for estimating the elements of the S-matrix. This approach is appropriate in general for 1+1D and for certain low-energy elastic collisions in higher dimensions. Second, we implement our approach using a series of different fault-tolerant simulation algorithms for Hamiltonians formulated both in the field occupation basis and field amplitude basis. Our algorithms are based on either second-order Trotterization or qubitization. The cost of Trotterization in occupation basis scales as O ( λ N 7 | Ω | 3 / ( M 5 / 2 ϵ 3 / 2 ) ) where λ is the coupling strength, N is the occupation cutoff, | Ω | is the volume of the spatial lattice, M is the mass of the particles and ϵ is the uncertainty in the energy calculation used for the S -matrix determination. Qubitization in the field basis scales as O ( | Ω | 2 ( k 2 Λ + k M 2 ) / ϵ ) , where k is the cutoff in the field and Λ is a scaled coupling constant. We find in both cases that the bounds suggest physically meaningful simulations can be performed using on the order of 4 × 10 6 physical qubits and 10 12 T -gates which corresponds to roughly one day on a superconducting quantum computer with surface code and a cycle time of 100 ns. This places the simulation of scalar field theory within striking distance of the gate counts for the best available chemistry simulation results.

Hardy, Andrew [Toronto U.] (ORCID:0000000235817382↗

DOE OSTI2020

Measurement-induced criticality in random quantum circuits

We investigate the critical behavior of the entanglement transition induced by projective measurements in (Haar) random unitary quantum circuits. Using a replica approach, we map the calculation of the entanglement entropies in such circuits onto a two-dimensional statistical-mechanics model. In this language, the area- to volume-law entanglement transition can be interpreted as an ordering transition in the statistical-mechanics model. We derive the general scaling properties of the entanglement entropies and mutual information near the transition using conformal invariance. We analyze in detail the limit of infinite on-site Hilbert space dimension in which the statistical-mechanics model maps onto percolation. In particular, we compute the exact value of the universal coefficient of the logarithm of subsystem size in the n th Rényi entropies for n ≥ 1 in this limit using relatively recent results for the conformal field theory describing the critical theory of two-dimensional (2D) percolation, and we discuss how to access the generic transition at finite on-site Hilbert space dimension from this limit, which is in a universality class different from 2D percolation. Here, we also comment on the relation to the entanglement transition in random tensor networks, studied previously in Vasseur et al. [Phys. Rev. B 100, 134203 (2019)].

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

Prediction of laser beam spatial profiles in a high-energy laser facility by use of deep learning

We adapt the significant advances achieved recently in the field of generative artificial intelligence/machine-learning to laser performance modeling in multipass, high-energy laser systems with application to high-shot-rate facilities relevant to inertial fusion energy. Advantages of neural-network architectures include rapid prediction capability, data-driven processing, and the possibility to implement such architectures within future low-latency, low-power consumption photonic networks. Four models were investigated that differed in their generator loss functions and utilized the U-Net encoder/decoder architecture with either a reconstruction loss alone or combined with an adversarial network loss. We achieved inference times of 1.3 ms for a 256 × 256 pixel near-field beam with errors in predicted energy of the order of 1% over most of the energy range. It is shown that prediction errors are significantly reduced by ensemble averaging the models with different weight initializations. These results suggest that including the temporal dimension in such models may provide accurate, real-time spatiotemporal predictions of laser performance in high-shot-rate laser systems.

47 OTHER INSTRUMENTATION↗

DOE OSTI2024

Tensor Network Space-Time Spectral Collocation Method for Time-Dependent Convection-Diffusion-Reaction Equations

Emerging tensor network techniques for solutions of partial differential equations (PDEs), known for their ability to break the curse of dimensionality, deliver new mathematical methods for ultra-fast numerical solutions of high-dimensional problems. Here, we introduce a Tensor Train (TT) Chebyshev spectral collocation method, in both space and time, for the solution of the time-dependent convection-diffusion-reaction (CDR) equation with inhomogeneous boundary conditions, in Cartesian geometry. Previous methods for numerical solution of time-dependent PDEs often used finite difference for time, and a spectral scheme for the spatial dimensions, which led to a slow linear convergence. Spectral collocation space-time methods show exponential convergence; however, for realistic problems they need to solve large four-dimensional systems. We overcome this difficulty by using a TT approach, as its complexity only grows linearly with the number of dimensions. We show that our TT space-time Chebyshev spectral collocation method converges exponentially, when the solution of the CDR is smooth, and demonstrate that it leads to a very high compression of linear operators from terabytes to kilobytes in TT-format, and a speedup of tens of thousands of times when compared to a full-grid space-time spectral method. These advantages allow us to obtain the solutions at much higher resolutions.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1981

Pumping power considerations in the designs of NASA-Redox flow cells

Pressure drop data for six different cell geometries of various flow port, manifold, and cavity dimensions are presented. The redox/energy/storage system uses two fully soluble redox couples as anode and cathode fluids. Both fluids are pumped through a redox cell, or stack of cells, where the electrochemical reactions take place at porous carbon felt electrodes. Pressure drop losses are therefore associated with this system due to the continuous flow of reactant solutions. The exact pressure drop within a redox flow cell is directly dependent on the flow rate as well as the various cell dimensions. Pumping power requirements for a specific set of cell operating conditions are found for various cell geometries once the flow rate and pressure drop are determined. These pumping power requirements contribute to the overall system parasitic energy losses which must be minimized, the choice of cell geometry becomes critical.

Hoberecht, M. A.↗

NASA NTRS1981

Characteristic boundary conditions for the Euler equations

The boundary conditions are demonstrated for the quasi-one-dimensional Euler equations with the extension to two and three dimensions being straightforward. In this application an implicit finite-difference scheme is employed with the boundary conditions being applied implicitly. The boundary application uses both characteristic extrapolations and evaluations which distinguishes it from other theories. Flow fields with shocks are calculated with inflow-outflow conditions of supersonic-subsonic and subsonic-subsonic flow.

T H Pulliam↗

NASA NTRS1984

Shape of porous region to control cooling along curved exit boundary

A cooled porous insert in a curved wall has a specified spatially varying heat flux applied to one side. It is desired to control the distribution of coolant flow out through this curved surface so that the surface will be kept at a desired uniform temperature. The flow regulation is accomplished by shaping the surface through which the coolant enters the region to obtain the required variation of flow resistance within the region. The proper surface shape is found by solving a Cauchy boundary value problem. Analytical solutions are given in two dimensions for various shapes of the heated boundary subjected to different heating distributions.

Siegel, R.↗

NASA NTRS1984

Development of a dynamically adaptive grid method for multidimensional problems

An approach to solution adaptive grid generation for use with finite difference techniques, previously demonstrated on model problems in one space dimension, has been extended to multidimensional problems. The method is based on the popular elliptic steady grid generators, but is 'dynamically' adaptive in the sense that a grid is maintained at all times satisfying the steady grid law driven by a solution-dependent source term. Testing has been carried out on Burgers' equation in one and two space dimensions. Results appear encouraging both for inviscid wave propagation cases and viscous boundary layer cases, suggesting that application to practical flow problems is now possible. In the course of the work, obstacles relating to grid correction, smoothing of the solution, and elliptic equation solvers have been largely overcome. Concern remains, however, about grid skewness, boundary layer resolution and the need for implicit integration methods. Also, the method in 3-D is expected to be very demanding of computer resources.

Holcomb, J. E.↗

NASA NTRS1985

Estimates of Lava Eruption Rates at Alba Patera, Mars

The Martian volcanic complex Alba Patera exhibits a suite of well-defined, long and relatively narrow lava flows qualitatively resembling those found in Hawaii. Even without any information on the duration of the Martian flows, eruption rates (total volume discharge/duration of the extrusion) estimates are implied by the physical dimensions of the flows and the likely conjecture that Stephan-Boltzmann radiation is the dominating thermal loss mechanism. The ten flows in this analysis emanate radially from the central vent and were recently measured in length, plan areas, and average thicknesses by shadow measurement techniques. The dimensions of interest are shown. Although perhaps morphologically congruent to certain Hawaiian flows, the dramatically expanded physical dimensions of the Martian flows argues for some markedly distinct differences in lava flow composition for eruption characteristics.

Baloga, S. M.↗

NASA NTRS1989

Visualizing large data sets in the earth sciences

The authors describe the capabilities of McIDAS, an interactive visualization system that is vastly increasing the ability of earth scientists to manage and analyze data from remote sensing instruments and numerical simulation models. McIDAS provides animated three-dimensionsal images and highly interactive displays. The software can manage, analyze, and visualize large data sets that span many physical variables (such as temperature, pressure, humidity, and wind speed), as well as time and three spatial dimensions. The McIDAS system manages data from at least 100 different sources. The data management tools consist of data structures for storing different data types in files, libraries of routines for accessing these data structures, system commands for performing housekeeping functions on the data files, and reformatting programs for converting external data to the system's data structures. The McIDAS tools for three-dimensional visualization of meteorological data run on an IBM mainframe and can load up to 128-frame animation sequences into the workstations. A highly interactive version of the system can provide an interactive window into data sets containing tens of millions of points produced by numerical models and remote sensing instruments. The visualizations are being used for teaching as well as by scientists.

Hibbard, William↗

NASA NTRS1989

Computer simulation and design of a three degree-of-freedom shoulder module

An in-depth kinematic analysis of a three degree of freedom fully-parallel robotic shoulder module is presented. The major goal of the analysis is to determine appropriate link dimensions which will provide a maximized workspace along with desirable input to output velocity and torque amplification. First order kinematic influence coefficients which describe the output velocity properties in terms of actuator motions provide a means to determine suitable geometric dimensions for the device. Through the use of computer simulation, optimal or near optimal link dimensions based on predetermined design criteria are provided for two different structural designs of the mechanism. The first uses three rotational inputs to control the output motion. The second design involves the use of four inputs, actuating any three inputs for a given position of the output link. Alternative actuator placements are examined to determine the most effective approach to control the output motion.

Marco, David↗