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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 721 records · Page 40
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Extended Physics-Informed Neural Networks (XPINNs): A Generalized Space-Time Domain Decomposition Based Deep Learning Framework for Nonlinear Partial Differential Equations

Here we propose a generalized space-time domain decomposition approach for the physics-informed neural networks (PINNs) to solve nonlinear partial differential equations (PDEs) on arbitrary complex-geometry domains. The proposed framework, named eXtended PINNs ( X P I N N s ), further pushes the boundaries of both PINNs as well as conservative PINNs (cPINNs), which is a recently proposed domain decomposition approach in the PINN framework tailored to conservation laws. Compared to PINN, the XPINN method has large representation and parallelization capacity due to the inherent property of deployment of multiple neural networks in the smaller subdomains. Unlike cPINN, XPINN can be extended to any type of PDEs. Moreover, the domain can be decomposed in any arbitrary way (in space and time), which is not possible in cPINN. Thus, XPINN offers both space and time parallelization, thereby reducing the training cost more effectively. In each subdomain, a separate neural network is employed with optimally selected hyperparameters, e.g., depth/width of the network, number and location of residual points, activation function, optimization method, etc. A deep network can be employed in a subdomain with complex solution, whereas a shallow neural network can be used in a subdomain with relatively simple and smooth solutions. We demonstrate the versatility of XPINN by solving both forward and inverse PDE problems, ranging from one-dimensional to three-dimensional problems, from time-dependent to time-independent problems, and from continuous to discontinuous problems, which clearly shows that the XPINN method is promising in many practical problems. The proposed XPINN method is the generalization of PINN and cPINN methods, both in terms of applicability as well as domain decomposition approach, which efficiently lends itself to parallelized computation. The XPINN code is available on h t t p s : / / g i t h u b . c o m / A m e y a J a g t a p / X P I N N s .

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Shock-ramp analysis test problem

Quasi-isentropic (ramp) compression is now a well-established experimental method and so are the analysis techniques to give Lagrangian sound speed, pressure, and density along the sample material's isentrope. A shock followed by ramp compression is a natural extension to investigate, for example, shock melt and refreeze on compression, or isentropes of states off the Hugoniot or principal isentrope. In practice, graded-density impactors produce initial shocks, compression by shaped laser pulses may be unable to produce a smooth pressure increase from zero, and incidental perturbations on the drive pulse may also give rise to shocks, so robust shock-ramp analysis methods will be needed. Appropriate analysis methods are needed for shock-ramp experiments, based on those for quasi-isentropic compression, and these require validation. This paper describes three different analyses of a shock-ramp test problem, including an assessment of their estimated errors. The methods tested were based on hydrodynamic characteristics or integration backward in space. All methods gave the known Lagrangian sound speed to within ~1%, and pressure and volume to within less than 2% and 1%, demonstrating that the analysis methods of isentropic compression experiments can be confidently extended to the analysis of shock and ramp compression.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Quantifying Temperature Dependence of Electronic Band Gaps and Optical Properties in SnO 2 and SnO via First-Principles Simulations

Tin metal oxides SnO x ( x = 1, 2) have gained interest as gas-sensing materials. For their applications as high-temperature sensors, however, a better understanding of their temperature dependence sensing responses is needed. Here, we comparatively quantify the temperature-dependent electronic band gaps and optical properties of SnO 2 and SnO using first-principles calculations. Without considering the temperature effect, SnO 2 and SnO are predicted to have direct and indirect band gaps of 2.18 and 1.66 eV, respectively, at the PBE + U -GGA level that we employed. The temperature effect on the electronic and optical properties is captured by taking account of the electron–phonon interaction. Band gap renormalization with temperature is calculated via the Allen–Heine–Cardona theory. For both oxides, we find a monotonic decrease in the electronic band gap such that renormalization at zero point (0 K) is ~–0.17 and ~–0.52 eV at 1000 K. These results are also analyzed by employing an analytical equation that helps characterize the band gap shift with temperature. In addition, the optical properties at finite temperatures are simulated using the frozen-phonon method that combines electron–phonon coupling with the momentum matrix. As temperature increases, the optical property spectra are smoothed because of the smearing effect, which diminishes optical constants at shorter wavelengths. Our results are of interest for high-temperature functional materials in applications of optical detection.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Edge Reconstruction in a Quantum Spin Hall Insulator

We study interaction-driven edge reconstruction in a quantum spin Hall insulator described by the Bernevig-Hughes-Zhang model with Kanamori-Hubbard interactions using the real-space density matrix renormalization group method in both the grand-canonical and canonical ensembles. For a two-dimensional cylinder with a smooth edge, we identify discrete particle-number transitions that lead to a spin-polarized edge state stabilized by an emergent ferromagnetic exchange interaction. The reconstruction is orbital-selective, occurring predominantly in the 𝑠-orbital channel. Our results reveal a microscopic mechanism for emergent fluctuating moments at the edge that could compromise the topological protection of helical edge states by time-reversal symmetry.

Soni, Rahul [ORNL] (ORCID:0000000317714299)↗
DOE OSTI2022

Tailored approach to study Legionella infection using a lattice light sheet microscope (LLSM)

Legionella is a genus of ubiquitous environmental pathogens found in freshwater systems, moist soil, and composted materials. More than four decades of Legionella research has provided important insights into Legionella pathogenesis. Although standard commercial microscopes have led to significant advances in understanding Legionella pathogenesis, great potential exists in the deployment of more advanced imaging techniques to provide additional insights. The lattice light sheet microscope (LLSM) is a recently developed microscope for 4D live cell imaging with high resolution and minimum photo-damage. We built a LLSM with an improved version for the optical layout with two path-stretching mirror sets and a novel reconfigurable galvanometer scanner ( RGS ) module to improve the reproducibility and reliability of the alignment and maintenance of the LLSM. We commissioned this LLSM to study Legionella pneumophila infection with a tailored workflow designed over instrumentation, experiments, and data processing methods. Our results indicate that Legionella pneumophila infection is correlated with a series of morphological signatures such as smoothness, migration pattern and polarity both statistically and dynamically. Our work demonstrates the benefits of using LLSM for studying long-term questions in bacterial infection. Our free-for-use modifications and workflow designs on the use of LLSM system contributes to the adoption and promotion of the state-of-the-art LLSM technology for both academic and commercial applications.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Simulating Hydrodynamics in Cosmology with CRK-HACC

Abstract We introduce CRK-HACC, an extension of the Hardware/Hybrid Accelerated Cosmology Code (HACC), to resolve gas hydrodynamics in large-scale structure formation simulations of the universe. The new framework couples the HACC gravitational N -body solver with a modern smoothed-particle hydrodynamics (SPH) approach called conservative reproducing kernel SPH (CRKSPH). CRKSPH utilizes smoothing functions that exactly interpolate linear fields while manifestly preserving conservation laws (momentum, mass, and energy). The CRKSPH method has been incorporated to accurately model baryonic effects in cosmology simulations—an important addition targeting the generation of precise synthetic sky predictions for upcoming observational surveys. CRK-HACC inherits the codesign strategies of the HACC solver and is built to run on modern GPU-accelerated supercomputers. In this work, we summarize the primary solver components and present a number of standard validation tests to demonstrate code accuracy, including idealized hydrodynamic and cosmological setups, as well as self-similarity measurements.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Cholesky-based experimental design for Gaussian process and kernel-based emulation and calibration.

Gaussian processes and other kernel-based methods are used extensively to construct approximations of multivariate data sets. The accuracy of these approximations is dependent on the data used. This paper presents a computationally efficient algorithm to greedily select training samples that minimize the weighted L p error of kernel-based approximations for a given number of data. The method successively generates nested samples, with the goal of minimizing the error in high probability regions of densities specified by users. The algorithm presented is extremely simple and can be implemented using existing pivoted Cholesky factorization methods. Training samples are generated in batches which allows training data to be evaluated (labeled) in parallel. For smooth kernels, the algorithm performs comparably with the greedy integrated variance design but has significantly lower complexity. Numerical experiments demonstrate the efficacy of the approach for bounded, unbounded, multi-modal and non-tensor product densities. We also show how to use the proposed algorithm to efficiently generate surrogates for inferring unknown model parameters from data using Bayesian inference.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1969

Method of making a rocket nozzle

A method is described for forming the interior of a nozzle having uneven walls so that a throat of smooth converging and diverging sides is provided for passing flow. A metallic insert material is placed within the flow passageway adjacent to the area where the sharper throat constriction is to be formed, so that the material will flow through the inlet into the throat space when liquefied.

Campbell, D. H.↗
NASA NTRS1979

Computation of aerodynamic interference effects on oscillating airfoils with controls in ventilated subsonic wind tunnels

Lift interference effects are discussed based on Bland's (1968) integral equation. A mathematical existence theory is utilized for which convergence of the numerical method has been proved for general (square-integrable) downwashes. Airloads are computed using orthogonal airfoil polynomial pairs in conjunction with a collocation method which is numerically equivalent to Galerkin's method and complex least squares. Convergence exhibits exponentially decreasing error with the number n of collocation points for smooth downwashes, whereas errors are proportional to 1/n for discontinuous downwashes. The latter can be reduced to 1/n to the m+1 power with mth-order Richardson extrapolation (by using m = 2, hundredfold error reductions were obtained with only a 13% increase of computer time). Numerical results are presented showing acoustic resonance, as well as the effect of Mach number, ventilation, height-to-chord ratio, and mode shape on wind-tunnel interference. Excellent agreement with experiment is obtained in steady flow, and good agreement is obtained for unsteady flow.

Fromme, J. A.↗
NASA NTRS1979

A computational fluid dynamic technique valid at the centerline for non-axisymmetric problems in cylindrical coordinates

A technique is described for the numerical solution of non-axisymmetric flow problems posed in cylindrical coordinates when the z-axis is included in the flowfield. The highlight of the technique is the manner in which the singularities at the centerline are handled. Specifically, the governing flowfield equations at r = 0 are put in a special form by applying L'Hospital's Rule. The required radial derivatives are evaluated using a one-sided, second-order accurate, first-difference. This leads to a smooth, convergent calculation of the flowfield at the centerline. This appears to be the first generally applicable numerical method for avoiding coordinate system singularities in the context of a finite-difference scheme, and could have application to many nonaxisymmetric flows. The technique is illustrated by specific results for the time-dependent flowfield inside an internal combustion engine.

Griffin, M. D.↗
NASA NTRS1985

Method of and apparatus for generating an interstitial point in a data stream having an even number of data points

Apparatus for doubling the data density rate of an analog to digital converter or doubling the data density storage capacity of a memory deviced is discussed. An interstitial data point midway between adjacent data points in a data stream having an even number of equal interval data points is generated by applying a set of predetermined one-dimensional convolute integer coefficients which can include a set of multiplier coefficients and a normalizer coefficient. Interpolator means apply the coefficients to the data points by weighting equally on each side of the center of the even number of equal interval data points to obtain an interstital point value at the center of the data points. A one-dimensional output data set, which is twice as dense as a one-dimensional equal interval input data set, can be generated where the output data set includes interstitial points interdigitated between adjacent data points in the input data set. The method for generating the set of interstital points is a weighted, nearest-neighbor, non-recursive, moving, smoothing averaging technique, equivalent to applying a polynomial regression calculation to the data set.

Edwards, T. R.↗
NASA NTRS1986

Global collocation methods for approximation and the solution of partial differential equations

Polynomial interpolation methods are applied both to the approximation of functions and to the numerical solutions of hyperbolic and elliptic partial differential equations. The derivative matrix for a general sequence of the collocation points is constructed. The approximate derivative is then found by a matrix times vector multiply. The effects of several factors on the performance of these methods including the effect of different collocation points are then explored. The resolution of the schemes for both smooth functions and functions with steep gradients or discontinuities in some derivative are also studied. The accuracy when the gradients occur both near the center of the region and in the vicinity of the boundary is investigated. The importance of the aliasing limit on the resolution of the approximation is investigated in detail. Also examined is the effect of boundary treatment on the stability and accuracy of the scheme.

Solomonoff, A.↗
NASA NTRS1986

Separated flow

A brief overview of flow separation phenomena is provided. Langley has many active research programs in flow separation related areas. Three cases are presented which describe specific examples of flow separation research. In each example, a description of the fundamental fluid physics and the complexity of the flow field is presented along with a method of either reducing or controlling the extent of separation. The following examples are discussed: flow over a smooth surface with an adverse pressure gradient; flow over a surface with a geometric discontinuity; and flow with shock-boundary layer interactions. These results will show that improvements are being made in the understanding of flow separation and its control.

Sellers, W. L., III↗
NASA NTRS1992

Direct numerical simulation of instabilities in parallel flow with spherical roughness elements

Results from a direct numerical simulation of laminar flow over a flat surface with spherical roughness elements using a spectral-element method are given. The numerical simulation approximates roughness as a cellular pattern of identical spheres protruding from a smooth wall. Periodic boundary conditions on the domain's horizontal faces simulate an infinite array of roughness elements extending in the streamwise and spanwise directions, which implies the parallel-flow assumption, and results in a closed domain. A body force, designed to yield the horizontal Blasius velocity in the absence of roughness, sustains the flow. Instabilities above a critical Reynolds number reveal negligible oscillations in the recirculation regions behind each sphere and in the free stream, high-amplitude oscillations in the layer directly above the spheres, and a mean profile with an inflection point near the sphere's crest. The inflection point yields an unstable layer above the roughness (where U''(y) is less than 0) and a stable region within the roughness (where U''(y) is greater than 0). Evidently, the instability begins when the low-momentum or wake region behind an element, being the region most affected by disturbances (purely numerical in this case), goes unstable and moves. In compressible flow with periodic boundaries, this motion sends disturbances to all regions of the domain. In the unstable layer just above the inflection point, the disturbances grow while being carried downstream with a propagation speed equal to the local mean velocity; they do not grow amid the low energy region near the roughness patch. The most amplified disturbance eventually arrives at the next roughness element downstream, perturbing its wake and inducing a global response at a frequency governed by the streamwise spacing between spheres and the mean velocity of the most amplified layer.

Deanna, R. G.↗
NASA NTRS1994

Mapping ERS-1 wind fields over north west Atlantic using a variational objective analysis

A variational method is implemented to produce five day mean gridded ERS-1 analyzed wind fields in the north west Atlantic with the aim of providing for wind forcing of basin scale ocean models. The method consists of minimizing a cost functional, designed to measure misfits to prescribed weighted constraints which express a smoothed behavior and the proximity to input data vectors and curl. The weights are empirically determined by comparison with independent ship and buoy data over four five day periods. Root mean square differences between analyzed winds and independent data are thus further decreased: they range from 0.8 up to 1.8 m/s. Some problems present in the initial data remain; they are principally due to incomplete data coverage (instrumental problems), and possibly unresolved ambiguities. The resulting curl fields are smoothed and show coherent patterns. A comparison with the European Center for Medium range Weather Forecasting (ECMWF) analysis is encouraging.

Siefridt, L.↗
NASA NTRS1993

Two-dimensional radiative transfer in cloudy atmospheres - The spherical harmonic spatial grid method

A new two-dimensional monochromatic method that computes the transfer of solar or thermal radiation through atmospheres with arbitrary optical properties is described. The model discretizes the radiative transfer equation by expanding the angular part of the radiance field in a spherical harmonic series and representing the spatial part with a discrete grid. The resulting sparse coupled system of equations is solved iteratively with the conjugate gradient method. A Monte Carlo model is used for extensive verification of outgoing flux and radiance values from both smooth and highly variable (multifractal) media. The spherical harmonic expansion naturally allows for different levels of approximation, but tests show that the 2D equivalent of the two-stream approximation is poor at approximating variations in the outgoing flux. The model developed here is shown to be highly efficient so that media with tens of thousands of grid points can be computed in minutes. The large improvement in efficiency will permit quick, accurate radiative transfer calculations of realistic cloud fields and improve our understanding of the effect of inhomogeneity on radiative transfer in cloudy atmospheres.

Evans, K. F.↗
NASA NTRS1994

Atmospheric Infrared Sounder

The microwave 'first-guess' algorithm was run on the cloudy test simulations. Eight datasets were considered in the cloudy test, comprising approximately 360 retrievals, of which one failed to converge. Retrievals were done on the AMSU-A grid. Examination of the true profiles (provided for the A, C and D tracks) showed numerous cases of very pronounced temperature inversion layers in the troposphere which the retrieval does not have enough vertical resolution to reproduce. A typical example with an inversion layer near 700 mbar is shown in Figure 1. The inversion layers also exhibit strong vertical gradients of water vapor which are not resolved in the retrieval. (Water vapor volume density is given in g/sq cm per layer. Layer thickness is 20 mb from 200 to 400 mb, and 25 mb from 400 to 1,000 mb.) The retrievals do reproduce the overall smoothed shape of the profiles, and therefore as a first guess should be within the range of linear methods for IR retrievals using AIRS.

Rosenkranz, Philip W.↗