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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 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Nonequilibrium spectral moment sum rules of the Holstein–Hubbard model

Abstract We derive a general procedure for evaluating the n th derivative of a time-dependent operator in the Heisenberg representation and employ this approach to calculate the zeroth to third spectral moment sum rules of the retarded electronic Green’s function and self-energy for a system described by the Holstein–Hubbard model allowing for arbitrary spatial and time variation of all parameters (including spatially homogeneous electric fields and parameter quenches). For a translationally invariant (but time-dependent) Hamiltonian, we also provide sum rules in momentum space. The sum rules can be applied to various different phenomena like time-resolved angle-resolved photoemission spectroscopy and benchmarking the accuracy of numerical many-body calculations. This work also corrects some errors found in earlier work on simpler models.

Physics↗
DOE OSTI2024

Reconstructing the spatial structure of quantum correlations in materials

Quantum correlations are a fundamental property of quantum many-body states. Yet they remain experimentally elusive, hindering certification of genuine quantum behavior, especially in quantum materials. Here we show that the momentum-dependent dynamical susceptibility measured via inelastic neutron scattering enables the systematic reconstruction of a general family of quantum correlation functions, which express the degree of quantum coherence in the fluctuations of two spins at an arbitrary mutual distance. Using neutron scattering data for the compound KCuF 3 —a system of weakly coupled S = 1 / 2 Heisenberg chains—and numerically exact quantum Monte Carlo data, we show that quantum correlations possess a radically different spatial structure with respect to conventional correlations. Indeed, they exhibit a different emergent length scale—the quantum coherence length—which is finite at any finite temperature (including when long-range magnetic order develops). Moreover, we show theoretically that coupled Heisenberg spin chains exhibit a form of quantum monogamy, with a trade-off between quantum correlations along and transverse to the spin chains. These results highlight real-space quantum correlators as an informative, model-independent means of probing the underlying quantum state of real quantum materials. Published by the American Physical Society 2024

36 MATERIALS SCIENCE↗
DOE OSTI2022

Accessing scattering amplitudes using quantum computers

Future quantum computers may serve as a tool to access non-perturbative real-time correlation functions. In this talk, we discuss the prospects of using these to study Compton scattering for arbitrary kinematics. The restriction to a finite-volume spacetime, unavoidable in foreseeable quantum-computer simulations, must be taken into account in the formalism for extracting scattering observables. One approach is to work with a non-zero iϵ-prescription in the Fourier transform to definite momentum and then to estimate an ordered double limit, in which the spacetime volume is sent to infinity before ϵ is sent to 0. For the amplitudes and parameters considered here, we find that significant volume effects arise, making the required limit very challenging. We present a practical solution to this challenge that may allow for future determinations of deeply virtual Compton scattering amplitudes, as well as many other reactions that are presently outside the scope of standard lattice QCD calculations.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1970

Dynamics and Control of Flexible Space Vehicles

The purpose of this report is twofold: (1) to survey the established analytic procedures for the simulation of controlled flexible space vehicles, and (2) to develop in detail methods that employ a combination of discrete and distributed ("modal") coordinates, i.e., the hybrid-coordinate methods. Analytic procedures are described in three categories: (1) discrete-coordinate methods, (2) hybrid-coordinate methods, and (3) vehicle normal-coordinate methods. Each of these approaches is described and analyzed for its advantages and disadvantages, and each is found to have an area of applicability. The hybrid-coordinate method combines the efficiency of the vehicle normal-coordinate method with the versatility of the discrete-coordinate method, and appears to have the widest range of practical application. The results in this report have practical utility in two areas: (1) complex digital computer simulation of flexible space vehicles of arbitrary configuration subject to realistic control laws, and (2) preliminary control system design based on transfer functions for linearized models of dynamics and control laws.

Likins, P. W.↗
NASA NTRS1981

GRID3O: Computer program for fast generation of multilevel, three-dimensional boundary-conforming O-type computational grids

A fast algorithm was developed for accurately generating boundary-conforming, three-dimensional, consecutively refined computational grids applicable to arbitrary wing-body and axial turbomachinery geometries. The method is based on using an analytic function to generate two-dimensional grids on a number of coaxial axisymmetric surfaces positioned between the centerbody and the outer radial boundary. These grids are of the O-type and are characterized by quasi-orthogonality, geometric periodicity, and an adequate resolution throughout the flow field. Because the built-in nonorthogonal coordinate stretching and shearing cause the grid lines leaving the blade or wing trailing edge to end at downstream infinity, the numerical treatment of the three-dimensional trailing vortex sheets is simplified.

Dulikravich, D. S.↗
NASA NTRS1984

Incompressible lifting-surface aerodynamics for a rotor-stator combination

Current literature on the three dimensional flow through compressor cascades deals with a row of rotor blades in isolation. Since the distance between the rotor and stator is usually 10 to 20 percent of the blade chord, the aerodynamic interference between them has to be considered for a proper evaluation of the aerothermodynamic performance of the stage. A unified approach to the aerodynamics of the incompressible flow through a stage is presented that uses the lifting surface theory for a compressor cascade of arbitrary camber and thickness distribution. The effects of rotor stator interference are represented as a linear function of the rotor and stator flows separately. The loading distribution on the rotor and stator flows separately. The loading distribution on the rotor and stator blades and the interference factor are determined concurrently through a matrix iteration process.

Ramachandra, S. M.↗
NASA NTRS1991

Feedback instability of the ionospheric resonant cavity

A model is developed that provides a theoretical basis for previous numerical results showing a feedback instability with frequencies characteristic of Alfven travel times within the region of the large increase of Alfven speed above the ionosphere. These results have been extended to arbitrary ionospheric conductivity by developing a numerical solution of the cavity dispersion relation that involves Bessel functions of complex order and argument. It is concluded that the large contrast between the magnetospheric and ionospheric Alfven speed leads to the formation of resonant cavity modes with frequencies ranging from 0.1 to 1 Hz. The presence of the cavity leads to a modification of the reflection characteristics of Alfven waves with frequencies that compare to the cavity's normal modes.

Lysak, Robert L.↗
NASA NTRS1991

Statistics of primordial density perturbations from discrete seed masses

The statistics of density perturbations for general distributions of seed masses with arbitrary matter accretion is examined. Formal expressions for the power spectrum, the N-point correlation functions, and the density distribution function are derived. These results are applied to the case of uncorrelated seed masses, and power spectra are derived for accretion of both hot and cold dark matter plus baryons. The reduced moments (cumulants) of the density distribution are computed and used to obtain a series expansion for the density distribution function. Analytic results are obtained for the density distribution function in the case of a distribution of seed masses with a spherical top-hat accretion pattern. More generally, the formalism makes it possible to give a complete characterization of the statistical properties of any random field generated from a discrete linear superposition of kernels. In particular, the results can be applied to density fields derived by smoothing a discrete set of points with a window function.

Scherrer, Robert J.↗
NASA NTRS1992

Organization of rainfall by an unstable jet with an application to African waves

It is hypothesized that a shear instability can organize rainfall if it converges sufficient amounts of moisture. This convergence is calculated by specifying the amplitude of a downgoing wave just beneath the jet and calculating the ascent induced below as a function of the zonal wind. Data obtained question whether a jet can organize rainfall from an arbitrary large distance above the moist layer. While in the absence of shear, a wave can reach the moist layer with undiminished amplitude, the induced ascent is small - less than the estimated ascent during phase I of the GARP Atlantic Tropical Experiment (GATE) when rainfall remained unorganized. It is suggested that organization can occur only if the unstable jet is within a few kilometers of the moist and separated by large shear. A wind profile resembling the observed 600-mb African jet is considered as an example. The waves are found to be closer to the moist layer during the later summer, causing larger ascent at this time.

Miller, R. L.↗
NASA NTRS2002

A Modified Wall Matching Treatment to Account for Local Solid to Fluid Thermal Coupling

The wall-matching methodology of Wilcox is modified to include a solid-wall, thermal-conduction model. This coupled fluid-thermal-structure model is derived assuming that the wall thermal-structure behavior is locally one-dimensional and that structural deformations, due to thermally induced stresses, are not significant. The one-dimensional coupled fluid-thermal-structure model is derived such that the wall temperature is removed as an independent boundary condition variable. The one-dimensional coupled fluid-thermal-structure model is also derived for the general case of an arbitrary mixture of thermally prefect gases and a wall of arbitrary thickness and conductivity by using a compressible, streamwise-pressure-gradient-corrected, wall-matching function and Fourier's law of heat conduction. The resulting model was implemented in the VULCAN CFD code as a new boundary condition type. VULCAN was then used to simulate a two-dimensional Mach 6 wind tunnel facility nozzle flow to demonstrate/validate the one-dimensional coupled fluid-thermal-structure model. The nozzle internal-wall surface temperature and heat transfer distributions computed using the one-dimensional coupled fluid-thermal-structure model are compared to wall temperature and heat transfer distributions from an iterative multi-dimensional analysis obtained by coupling the VULCAN CFD code and the MSC/NASTRAN-thermal code. The one-dimensional coupled fluid-thermal-structure model analysis is shown to be very robust and in excellent agreement with the multi-dimensional iteratively coupled analysis. It is also shown that the one-dimensional analysis can be used as an initial guess for the multi-dimensional iteratively coupled analysis.

White, Jeffery A.↗
NASA NTRS2002

A Modified Wall Matching Treatment to Account for Local Solid to Fluid Thermal Coupling

The wall-matching methodology of Wilcox is modified to include a solid-wall, thermal-conduction model. This coupled fluid-thermal-structure model is derived assuming that the wall thermal-structure behavior is locally one-dimensional and that structural deformations, due to thermally induced stresses, are not significant. The one-dimensional coupled fluid-thermal-structure model is derived such that the wall temperature is removed as an independent boundary condition variable. The one-dimensional coupled fluid-thermal-structure model is also derived for the general case of an arbitrary mixture of thermally prefect gases and a wall of arbitrary thickness and conductivity by using a compressible, streamwise-pressure-gradient-corrected, wall-matching function and Fourier's law of heat conduction. The resulting model was implemented in the VULCAN CFD code as a new boundary condition type. VULCAN was then used to simulate a two-dimensional Mach 6 wind tunnel facility nozzle flow to demonstrate/validate the one-dimensional coupled fluid-thermal-structure model. The nozzle internal-wall surface temperature and heat transfer distributions computed using the one-dimensional coupled fluid-thermal-structure model are compared to wall temperature and heat transfer distributions from an iterative multi-dimensional analysis obtained by coupling the VULCAN CFD code and the MSC/NASTRAN-thermal code. The one-dimensional coupled fluid-thermal-structure model analysis is shown to be very robust and in excellent agreement with the multi-dimensional iteratively coupled analysis. It is also shown that the one-dimensional analysis can be used as an initial guess for the multi-dimensional iteratively coupled analysis.

White, Jeffery A.↗
DOE OSTI2023

Efficient, direct compilation of SU(N) operations into SNAP & Displacement gates

We present a function which connects the parameter of a previously published short sequence of selective number-dependent arbitrary phase (SNAP) and displacement gates acting on a qudit encoded into the Fock states of a superconducting cavity, $V_k(\alpha)=D(\alpha)R_\pi(k)D(-2\alpha)R_\pi(k)D(\alpha)$ to the angle of the Givens rotation $G(\theta)$ on levels $|k\rangle,|k+1\rangle$ that sequence approximates, namely $\alpha=\Phi(\theta) = \frac{\theta}{4\sqrt{k+1}}$. Previous publications left the determination of an appropriate $\alpha$ to numerical optimization at compile time. The map $\Phi$ gives us the ability to compile directly any $d$-dimensional unitary into a sequence of SNAP and displacement gates in $O(d^3)$ complex floating point operations with low constant prefactor, avoiding the need for numerical optimization. Numerical studies demonstrate that the infidelity of the generated gate sequence $V_k$ per Givens rotation $G$ scales as approximately $O(\theta^6)$. We find numerically that the error on compiled circuits can be made arbitrarily small by breaking each rotation into $m$$\theta/m$ rotations, with the full $d\times d$ unitary infidelity scaling as approximately $O(m^{-4})$. This represents a significant reduction in the computational effort to compile qudit unitaries either to SNAP and displacement gates or to generate them via direct low-level pulse optimization via optimal control.

Job, Joshua↗
NASA NTRS1973

Gaussian variational equations for osculating elements of an arbitrary separable reference orbit.

Lagrange-type equations are often used in planetary theory and sometimes in satellite theory. The equations express the variation of osculating Keplerian elements in terms of derivatives of a disturbing function or a perturbing potential. When the perturbing force is derivable from a potential, it is possible to convert the Lagrange-type equations to another form. This form, usually, attributed to Gauss, contains the perturbing forces instead of the derivatives of the potential. The case of an arbitrary separable reference orbit is discussed together with a lemma, a Keplerian check, and questions of the applicability of the equations to the spheroidal method.

Vinti, J. P.↗
DOE OSTI2024

Shorter function summaries for finite state machine-based high consequence systems using logic synthesis and tautologies (Final Report LDRD 24-1302)

Computer programs are often viewed as collections of functions – each function has parameters (inputs) and computes a return value, and each has potential side effects that modify program state (outputs). In this research, a Sandia symbolic execution tool designed to support “human-in-the-loop” analysis was modified to automatically create “function summaries,” and a new tool, “diaboolical,” was created to support enhancing readability of the summary using a novel approach to bit-vector simplification that leverages logic synthesis and tautologies. For this effort, students at Auburn University created several finite state machines (FSMs) to serve as exemplars for high-consequence systems. Function summaries for each of the machines were obtained, and then portions of the summaries were simplified using both diaboolical and the simplification procedure of a popular SMT solver. A comparison of the results shows that diaboolical can often produce smaller function summaries, with expression length improvements over the unsimplified function summaries ranging from 0% to 90% for diaboolical and 0% to 65% for the SMT solver, though diaboolical had a significantly greater cost in time. Diaboolical was evaluated against a collection of “arbitrary” C-code as well as FSM exemplars, and for both datasets it achieved an approximately 10% improvement in expression length compared to simplifications that could be obtained using existing techniques. Function summaries can assist assurance efforts that evaluate existing systems and their executable code. A smaller function summary is likely easier for humans to understand and could thus increase the ability and efficacy of assurance practices centered around the analysis of executable artifacts.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

A simplified framework for prediction of sensor network coverage in real-time structural health monitoring of plate-like structures

In this article, the coverage area prediction of piezoelectric sensor network for detecting a specific type of under-surface crack in plate-like structures is addressed. In particular, this article proposes a simplified framework to estimate the coverage of any given sensor network arrangement when a critical defect is known. Based on numerical results from finite element methods (FEM), a simplified framework to estimate coverage area of any given network arrangement is developed. Using such a simplified framework, one can avoid time-consuming procedure of evaluating numerous FEM models in estimating sensor network coverage. Back-scatter fields of partial cracks are estimated using a proposed function, whose parameters are estimated from the results of a limited number of FEM simulations. The proposed function efficiently predicts the back-scattered field of any combination of transmitters and receivers for a given crack geometry. Superposition is used to estimate the coverage area of an arbitrary piezoelectric (e.g., PZT) sensor network. It is shown that the coverage area of a sensor network depends on both sensor network geometry and defect properties (e.g., crack inclination) and it is not necessarily a linear function of the number of sensors. Furthermore, it is shown that the network arrangement has an important effect on the geometry of the coverage area. Experimental results of a network of 14 PZTs in two clusters confirm the accuracy of the method.

Engineering↗
DOE OSTI2024

Diamond surface functionalization via visible light–driven C–H activation for nanoscale quantum sensing

Nitrogen-vacancy (NV) centers in diamond are a promising platform for nanoscale NMR sensing. Despite significant progress toward using NV centers to detect and localize nuclear spins down to the single spin level, NV-based spectroscopy of individual, intact, arbitrary target molecules remains elusive. Such sensing requires that target molecules are immobilized within nanometers of NV centers with long spin coherence. The inert nature of diamond typically requires harsh functionalization techniques such as thermal annealing or plasma processing, limiting the scope of functional groups that can be attached to the surface. Solution-phase chemical methods can be readily generalized to install diverse functional groups, but they have not been widely explored for single-crystal diamond surfaces. Moreover, realizing shallow NV centers with long spin coherence times requires highly ordered single-crystal surfaces, and solution-phase functionalization has not yet been shown with such demanding conditions. In this work, we report a versatile strategy to directly functionalize C–H bonds on single-crystal diamond surfaces under ambient conditions using visible light, forming C–F, C–Cl, C–S, and C–N bonds at the surface. This method is compatible with NV centers within 10 nm of the surface with spin coherence times comparable to the state of the art. As a proof-of-principle demonstration, we use shallow ensembles of NV centers to detect nuclear spins from surface-bound functional groups. Our approach to surface functionalization opens the door to deploying NV centers as a tool for chemical sensing and single-molecule spectroscopy.

Science & Technology - Other Topics↗
NASA NTRS1980

Solution of Euler's Equations of Motion and Eulerian Angles for near symmetric rigid bodies subject to constant moments

Analytic expressions are found for Euler's Equations of Motion and for the Eulerian Angles for both symmetric and near symmetric rigid bodies under the influence of arbitrary constant body-fixed torques. These solutions provide the body-fixed angular velocities and the attitude of the body, respectively, as functions of time. They are of special interest in applications to spinning spacecraft (such as the Galileo Spacecraft to be launched in 1984) because they include the effect of time-varying spin rate. Thus they can be applied to spin-up and spin-down maneuvers as well as to error analysis for thruster misalignments. The solutions are given for arbitrary initial conditions in terms of Fresnel, Sine and Cosine Integrals. Numerical integration of the governing differential equations has verified that the approximate analytic solutions are very accurate in many physical situations of interest.

Longuski, J. M.↗
DOE OSTI2023

Universal linear intensity transformations using spatially incoherent diffractive processors

Abstract Under spatially coherent light, a diffractive optical network composed of structured surfaces can be designed to perform any arbitrary complex-valued linear transformation between its input and output fields-of-view (FOVs) if the total number ( N ) of optimizable phase-only diffractive features is ≥~2 N i N o , where N i and N o refer to the number of useful pixels at the input and the output FOVs, respectively. Here we report the design of a spatially incoherent diffractive optical processor that can approximate any arbitrary linear transformation in time-averaged intensity between its input and output FOVs. Under spatially incoherent monochromatic light, the spatially varying intensity point spread function ( H ) of a diffractive network, corresponding to a given, arbitrarily-selected linear intensity transformation, can be written as H ( m , n ; m ′, n ′) = | h ( m , n ; m ′, n ′)| 2 , where h is the spatially coherent point spread function of the same diffractive network, and ( m , n ) and ( m ′, n ′) define the coordinates of the output and input FOVs, respectively. Using numerical simulations and deep learning, supervised through examples of input-output profiles, we demonstrate that a spatially incoherent diffractive network can be trained to all-optically perform any arbitrary linear intensity transformation between its input and output if N ≥ ~2 N i N o . We also report the design of spatially incoherent diffractive networks for linear processing of intensity information at multiple illumination wavelengths, operating simultaneously. Finally, we numerically demonstrate a diffractive network design that performs all-optical classification of handwritten digits under spatially incoherent illumination, achieving a test accuracy of >95%. Spatially incoherent diffractive networks will be broadly useful for designing all-optical visual processors that can work under natural light.

36 MATERIALS SCIENCE↗