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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 847 records · Page 47
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Simplified Models of the Bicarbonate Buffer for Scaled Simulations of CO 2 Electrolyzers

Bicarbonate electrolytes are used in a range of chemical processes; however, resolved simulation of these electrolytes is difficult, as disparate reaction time scales lead to numerical stiffness and the formation of fine boundary layers. Based on several physically motivated approximations, we reduce the full set of chemical reactions within a bicarbonate electrolyte to a simpler subset, eliminating the numerical stiffness. We supported this simplification via a two-variable singular perturbation expansion and demonstrated that under neutral conditions (6 < pH < 10) typically found within a fluid-fed CO 2 electrolyzer, the simplifications lead to negligible error. Here, we also discuss two alternative simplifications, one valid at high pH and another valid at arbitrary pH. These simplifications reduce the condition number of the matrices resulting from spatiotemporal discretization by up to 10 orders of magnitude and enable three-dimensional (3D) simulation of CO 2 electrolyzers containing carbonate solutions.

10 SYNTHETIC FUELS↗
NASA NTRS1961

Laminar Boundary Layer Behind a Strong Shock Moving into Air

The laminar wall boundary layer behind a strong shock advancing into stationary air has been determined. Numerical results have been obtained for shock Mach numbers up to 14 using real gas values for density and viscosity and assuming Prandtl and Lewis numbers of 0.72 and 1, respectively. The numerical results for shear and heat transfer agree, within 4 percent, with a previously presented approximate analytical expression for these quantities. A slight modification of this expression results in agreement with the numerical data to within 2.5 percent. Analytical expressions for boundary-layer thickness and displacement thickness, correct to within 4 percent for the present data, have also been obtained.

Mirels, Harold↗
NASA NTRS1971

Pressurized expulsion of nonisothermal single-phase cryogen

The performance of single-phase storage and expulsion systems as affected by temperature variations within the stored cryogen which are generated during heat transfer is discussed. Peculiar operating responses are indicated by spontaneous changes in fluid pressure which accompany g level changes, increased heater surface temperature, and durations of pressure cycles which differ considerably from that which is computed for an isothermal cryogen. The nonisothermal characteristics are predicted with a numerical model which includes the simultaneous solution of the time dependent conservation equations of mass, energy, and momentum in two space dimensions of Cartesian coordinates for boundary conditions which approximate those of the flight cryogenic system. The methodology of the numerical method and some comparisons between the predictions and the Apollo 12 flight data are included.

Forester, C. K.↗
DOE OSTI2023

A high‐order discontinuous Galerkin approach for physics‐based thermospheric modeling

Abstract The accurate prediction of aerodynamic drag on satellites orbiting in the upper atmosphere is critical to the operational success of modern space technologies, such as satellite‐based communication or navigation systems, which have become increasingly popular in the last few years due to the deployment of constellations of satellites in low‐Earth orbit. As a result, physics‐based models of the ionosphere and thermosphere have emerged as a necessary tool for the prediction of atmospheric outputs under highly variable space weather conditions. This paper proposes a high‐fidelity approach for physics‐based space weather modeling based on the solution of the Navier–Stokes equations using a high‐order discontinuous Galerkin method, combined with a matrix‐free strategy suitable for high‐performance computing on GPU architectures. The approach consists of a thermospheric model that describes a chemically frozen neutral atmosphere in nonhydrostatic equilibrium driven by the external excitation of the Sun. A novel set of variables is considered to treat the low densities present in the upper atmosphere and to accommodate the wide range of scales present in the problem. At the same time, and unlike most existing approaches, radial and angular directions are treated in a nonsegregated approach. The study presents a set of numerical examples that demonstrate the accuracy of the approximation and validate the current approach against observational data along a satellite orbit, including estimates of established empirical and physics‐based models of the ionosphere‐thermosphere system. Finally, a one‐dimensional radial derivation of the physics‐based model is presented and utilized for conducting a parametric study of the main thermal quantities under various solar conditions.

Engineering↗
DOE OSTI2024

D2NO: Efficient handling of heterogeneous input function spaces with distributed deep neural operators

Neural operators have been applied in various scientific fields, such as solving parametric partial differential equations, dynamical systems with control, and inverse problems. However, challenges arise when dealing with input functions that exhibit heterogeneous properties, requiring multiple sensors to handle functions with minimal regularity. To address this issue, discretization-invariant neural operators have been used, allowing the sampling of diverse input functions with different sensor locations. However, existing frameworks still require an equal number of sensors for all functions. We propose a novel distributed approach to further relax the discretization requirements and solve the heterogeneous dataset challenges. Our method involves partitioning the input function space and processing individual input functions using independent and separate neural networks. A centralized neural network is used to handle shared information across all output functions. This distributed methodology reduces the number of gradient descent back-propagation steps, improving efficiency while maintaining accuracy. Here, we demonstrate that the corresponding neural network is a universal approximator of continuous nonlinear operators and present three numerical examples to validate its performance.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

The impacts of convex piecewise linear cost formulations on AC optimal power flow

Despite strong connections through shared application areas, research efforts on power market optimization (e.g., unit commitment) and power network optimization (e.g., optimal power flow) remain largely independent. A notable illustration of this is the treatment of power generation cost functions, where nonlinear network optimization has largely used polynomial representations and market optimization has adopted piecewise linear encodings. This work combines state-of-the-art results from both lines of research to understand the best mathematical formulations of the nonlinear AC optimal power flow problem with piecewise linear generation cost functions. An extensive numerical analysis of non-convex models, linear approximations, and convex relaxations across fifty-four realistic test cases illustrates that nonlinear optimization methods are surprisingly sensitive to the mathematical formulation of piecewise linear functions. The results indicate that a poor formulation choice can slow down algorithm performance by a factor of ten, increasing the runtime from seconds to minutes. Furthermore, these results provide valuable insights into the best formulations of nonlinear optimal power flow problems with piecewise linear cost functions, an important step towards building a new generation of energy markets that incorporate the nonlinear AC power flow model.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2023

The Dynamics of Megafire Smoke Plumes in Climate Models: Why a Converged Solution Matters for Physical Interpretations

As the climate system warms, megafires have become more frequent with devastating effects. A byproduct of these events is the creation of smoke plumes that can rise into the stratosphere and spread across the globe where they reside for many months. To gain a deeper understanding of the plume dynamics, global climate simulations of a megafire were performed at a wide range of grid spacings from 2.0° down to 7 km, including a 7 km nonhydrostatic experiment. The analysis focuses on how the resolved dynamics affects the specification of the plume characteristics such as injection height and black carbon (BC) mass. Prior studies initialize the smoke plume at one or a few grid points and this is shown here to produce severely dissipative dynamics. In order to validate such simulations with observations, enhancements of the plume characteristics to offset the dissipation is necessary. Using a numerically converged simulation, sensitivity tests show that to approximate the observed stratospheric lifetime, a reduction in BC fraction by 50% is necessary for external mixtures. The vorticity dynamics of the plume is also analyzed with a Lagrangian budget to understand the mechanisms responsible for the evolution of a collocated anticyclonic vortex. The results can be distilled down into a simple conceptual model. As the plume rises, the air diverges at the top of the updraft where the largest concentrations of smoke are found. This divergence induces a dilution of the background cyclonic absolute vorticity producing an anticyclonic vortex. Vortex decay occurs from opposite arguments.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Backpropagated frame transformation theory: A reformulation

In this work, the energy-dependent frame transformation theory of Gao and Greene [H. Gao and C. H. Greene, Phys. Rev. A 42, 6946 (1990)] is extended to yield a quantitatively accurate description of the dissociative recombination process. Evidence is presented to show that direct application of the original theory leads to inaccurate cross sections. A major revision, based on an interaction-free backpropagation of the Born-Oppenheimer solutions, markedly improves the frame transformation theory, reducing its average error by orders of magnitude. The original theory and its extension are tested on the previously explored two-dimensional (2D) model that is tailored to describe the singlet ungerade states of molecular hydrogen. The 2D model can be solved exactly (within the numerical accuracy) without implementing the Born-Oppenheimer approximation. These exact results then serve as a benchmark for the frame transformation theory developed in this paper.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2020

Meta-GGA performance in solids at almost GGA cost

A recent modification, r 2 SCAN, of the strongly constrained and appropriately normed (SCAN) meta-generalized gradient approximation (GGA) exchange-correlation functional mostly eliminates numerical instabilities and attendant integration grid sensitivities exhibited by SCAN. Here, we show that the successful deorbitalization of SCAN to SCAN-L (SCAN with density Laplacian dependence) carries over directly to yield r 2 SCAN-L. A major benefit is that the high iteration counts that hindered the use of SCAN-L are eliminated in r 2 SCAN-L. It therefore is a computationally much faster meta-GGA than its orbital-dependent antecedent. In this work, validation data for molecular heats of formation, bond lengths, and vibration frequencies (G3/99X, T96-R, and T82-F test sets, respectively) and on lattice constants, and cohesive energies (for 55 solids) and bulk moduli (for 40 solids) are provided. In addition, we show that the overmagnetization of bcc Fe, hcp Co, and fcc Ni persists in r 2 SCAN but does not appear in r 2 SCAN-L. Distinct from SCAN, both r 2 SCAN and r 2 SCAN-L give the correct nonmagnetic ground state for bcc V.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Multilevel Spectral Coarsening for Graph Laplacian Problems with Application to Reservoir Simulation

We extend previously developed two-level coarsening procedures for graph Laplacian problems written in a mixed saddle point form to the fully recursive multilevel case. The resulting hierarchy of discretizations gives rise to a hierarchy of upscaled models, in the sense that they provide approximation in the natural norms (in the mixed setting). This property enables us to utilize them in three applications: (i) as an accurate reduced model, (ii) as a tool in multilevel Monte Carlo simulations (in application to finite volume discretizations), and (iii) for providing a sequence of nonlinear operators in a full approximation scheme for solving nonlinear pressure equations discretized by the conservative two-point flux approximation. Finally, we illustrate the potential of the proposed multilevel technique in all three applications on a number of popular benchmark problems used in reservoir simulation.

multilevel Monte Carlo↗
NASA NTRS1971

Reverse and forward slow shocks in the solar wind.

Probable reverse and forward slow shocks were found in plasma and magnetic-field data from Pioneer 6. The shocks were oblique and weak (Mach of approximately 1.2). No reverse fast shocks were found. Numerous (50) other discontinuities were found, most of which are probably tangential, since all the plasma parameters changed across most of them.

Burlaga, L. F.↗
NASA NTRS1973

Round-off errors in cutting plane algorithms based on the revised simplex procedure

This report statistically analyzes computational round-off errors associated with the cutting plane approach to solving linear integer programming problems. Cutting plane methods require that the inverse of a sequence of matrices be computed. The problem basically reduces to one of minimizing round-off errors in the sequence of inverses. Two procedures for minimizing this problem are presented, and their influence on error accumulation is statistically analyzed. One procedure employs a very small tolerance factor to round computed values to zero. The other procedure is a numerical analysis technique for reinverting or improving the approximate inverse of a matrix. The results indicated that round-off accumulation can be effectively minimized by employing a tolerance factor which reflects the number of significant digits carried for each calculation and by applying the reinversion procedure once to each computed inverse. If 18 significant digits plus an exponent are carried for each variable during computations, then a tolerance value of 0.1 x 10 to the minus 12th power is reasonable.

Moore, J. E.↗
NASA NTRS1974

Post-flight differential correction analysis using Vinti's spheroidal method for the small astronomy satellite orbit

The results of an intensive analysis of a differential orbit improvement method utilizing observational data for a 550-kilometer altitude, near-circular, near-equatorial satellite orbit are presented. Observations of the Small Astronomy Satellite (SAS-1) are in the form of direction cosines as measured at two ground interferometer tracking stations near the Equator during the first 22 orbital revolutions (approximately 37 hours) after launch of the spacecraft. Numerical results, in both tabular and graphical form, are displayed for numerous iterated fittings of various observational arcs by differential correction of the orbital elements. Parameters varied in these comparative cases include the time duration of the observational data block, the number of pairs of direction cosine data and the number of tracking station passes included in the solution, the distribution of such passes between the two available tracking stations, and the acceptance criterion for the observational residuals in the least squares fitting procedure. It was found that three observational pairs of direction cosine data, the minimum number possible for a uniquely determined solution in theory, are sufficient to promote covergence to an accurate solution, if properly selected.

Walden, H.↗
NASA NTRS1974

On laminar boundary-layer separation

Iterative finite-difference techniques are developed for integrating the boundary-layer equations, without approximation, through a region of reversed flow. The numerical procedures are used to calculate incompressible laminar separated flows and to investigate the conditions for regular behavior at the point of separation. Regular flows are shown to be characterized by an integrable saddle-type singularity that makes it difficult to obtain numerical solutions which pass continuously into the separated region. The singularity is removed and continuous solutions ensured by specifying the wall shear distribution and computing the pressure gradient as part of the solution. Calculated results are presented for a number of separated flows and the accuracy of the method is verified.

Klineberg, J. M.↗
NASA NTRS1979

A group-velocity criterion for breakdown of vortex flow: An application to measured inlet profiles

Vortex flows exhibiting breakdown in a slightly divergent duct were measured. The slowly varying vortex flow field downstream of the entrance and upstream of the breakdown region is obtained numerically by using the inviscid quasi-cylindrical approximation. In these calculations, the Faler and Lebovich's experimental data were used as the starting conditions at the entrance of the duct. The group velocity of wave propagation for the axisymmetric mode (n = 0) and the asymmetric modes (n = + or - 1 and n = + or - 2) are calculated for the entrance conditions. For the theoretically predicted slowly varying flow field downstream of the entrance, the wave characteristics of the n = 0 and n = + or - 1 modes are presented. It was concluded that the flows which subsequently undergo vortex breakdown are all predicted to be supercritical and stable to infinitesimal inviscid disturbances, including the axially symmetric as well as the nonsymmetric perturbations.

Tsai, C. Y.↗
NASA NTRS1980

A simplified method for the calculation of diurnally averaged photodissociation rates

Expressions are given for the calculation of the diurnally averaged transmission of solar flux from a series summation involving relatively few terms and readily available mathematical functions. It is shown that these expressions can be scaled to remove much of the dependence on latitude and solar declination so that at large optical depth, they become asymptotic to a function which depends only on the optical depth at noon and displays an inverse-square-root variation. From this variation, a simple analytic form containing one adjustable parameter is proposed. The functional dependence of this parameter on latitude and solar declination is determined by numerical fitting procedures. The accuracy of the analytic approximation is better than 4.5% for all altitudes, latitudes and seasons of the year.

Boughner, R. E.↗
NASA NTRS1983

Preconditioned Minimal Residual Methods for Chebyshev Spectral Caluclations

The problem of preconditioning the pseudospectral Chebyshev approximation of an elliptic operator is considered. The numerical sensitiveness to variations of the coefficients of the operator are investigated for two classes of preconditioning matrices: one arising from finite differences, the other from finite elements. The preconditioned system is solved by a conjugate gradient type method, and by a DuFort-Frankel method with dynamical parameters. The methods are compared on some test problems with the Richardson method and with the minimal residual Richardson method.

Canuto, C.↗