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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 541 records · Page 30
All sourcesNASA NTRSDOE OSTI
NASA NTRS2001

High Order Difference Method for Low Mach Number Aeroacoustics

A high order finite difference method with improved accuracy and stability properties for computational aeroacoustics (CAA) at low Mach numbers is proposed. The Euler equations are split into a conservative and a symmetric non- conservative portion to allow the derivation of a generalized energy estimate. Since the symmetrization is based on entropy variables, that splitting of the flux derivatives is referred to as entropy splitting. Its discretization by high order central differences was found to need less numerical dissipation than conventional conservative schemes. Owing to the large disparity of acoustic and stagnation quantities in low Mach number aeroacoustics, the split Euler equations are formulated in perturbation form. The unknowns are the small changes of the conservative variables with respect to their large stagnation values. All nonlinearities and the conservation form of the conservative portion of the split flux derivatives can be retained, while cancellation errors are avoided with its discretization opposed to the conventional conservative form. The finite difference method is third-order accurate at the boundary and the conventional central sixth-order accurate stencil in the interior. The difference operator satisfies the summation by parts property analogous to the integration by parts in the continuous energy estimate. Thus, strict stability of the difference method follows automatically. Spurious high frequency oscillations are suppressed by a characteristic-based filter similar to but without limiter. The time derivative is approximated by a 4-stage low-storage second-order explicit Runge-Kutta method. The method has been applied to simulate vortex sound at low Mach numbers. We consider the Kirchhoff vortex, which is an elliptical patch of constant vorticity rotating with constant angular frequency in irrotational flow. The acoustic pressure generated by the Kirchhoff vortex is governed by the 2D Helmholtz equation, which can be solved analytically using separation of variables.

Mueller, B.↗
DOE OSTI2020

Visualizing Charge Transport and Nanoscale Electrochemistry by Hyperspectral Kelvin Probe Force Microscopy

Charge-transport and electrochemical processes are heavily influenced by the local microstructure. Kelvin probe force microscopy (KPFM) is a widely used technique to map electrochemical potentials at the nanometer scale; however, it offers little information on local charge dynamics. In this study, we implement a hyperspectral KPFM approach for spatially mapping bias-dependent charge dynamics in timescales ranging from the sub-millisecond to the second regime. As a proof of principle, we investigate the role mobile surface charges play in a three-unit-cell LaAlO 3 /SrTiO 3 oxide heterostructure. We explore machine learning approaches to assist with visualization, pattern recognition, and interpretation of the information-rich data sets. Linear unmixing methods reveal hidden bias-dependent interfacial processes, most likely water splitting, which are essentially unnoticed by functional fitting of the dynamic response alone. Hyperspectral KPFM will be beneficial for investigating nanoscale charge transport and local reactivity in systems involving a possible combination of electronic, ionic, and electrochemical phenomena.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Continued performance improvement and integration of MOOSE's thermal-hydraulics capabilities (M3 Milestone Report)

This work introduces performance, robustness and workflow improvements to Multiphysics Object-Oriented Simulation Environment (MOOSE)-based thermal-hydraulics solvers. It presents work related to the acceleration of segregated fluid dynamics algorithms, which show approximately a factor of 10 speedup compared to the preceding implementation. Additionally, we discuss approaches to use advanced, Schurr complement-based, field split preconditioners for monolithic solution algorithms relying on the finite volume method. The presence of the Rhie-Chow interpolation makes the utilization of this preconditioner challenging, but the results indicate that for a moderately large problem a factor of 3.4 speedup can be achieved in conjunction with a factor of 3.5 reduction in memory usage. Furthermore, we introduce several pseudo-time stepping approaches to MOOSE for the robust convergence to steady-state solutions when steady-state solves don't converge due to the initial guesses being too far from the solution in Newton's method. Every MOOSE-based application has access this algorithm and can benefit from its use. Moreover, several new avenues have been presented for importing meshes from commercial software which make meshing easier. Lastly, the Component system within the Thermal-Hydraulics Module (THM) of MOOSE is abstracted by separating geometry- and physics-related properties.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1984

One-dimensional unsteady modeling of supersonic inlet unstart/restart

A quasi-one-dimensional unsteady inviscid analysis of mixed-compression supersonic inlet flow is presented with emphasis on modeling of inlet unstart/restart phenomena. Numerical solution of the governing equations of motion is performed using a computationally efficient shock-capturing split-characteristics algorithm. Inlet unstart is modeled using a mass balance method which relates the expelled normal shock position ahead of the inlet cowl to the amount of spilled mass flow over the inlet housing. Comparison of computed results with experimental data for an axisymmetric inlet at a free-stream Mach number of 2.50 shows quite reasonable agreement over an entire unstart/restart transient which includes centerbody translation and retraction as well as bypass mass flow variations.

Adams, J. C., Jr.↗
NASA NTRS1989

Convergence acceleration of viscous and inviscid hypersonic flow calculations

The convergence of inviscid and viscous hypersonic flow calculations using a two-dimensional flux-splitting code is accelerated by applying a Richardson-type overrelaxation method. Successful results are presented for various cases; and a 50 percent savings in computer time is usually achieved. An analytical formula for the overrelaxation factor is derived, and the performance of this scheme is confirmed numerically. Moreover, application of this overrelaxation scheme produces a favorable preconditioning for Wynn's epsilon-algorithm. Both techniques have been extended to viscous three-dimensional flows and applied to accelerate the convergence of the compressible Navier-Stokes code. A savings of 40 percent in computer time is achieved in this case.

Cheer, A.↗
NASA NTRS1990

Spectroscopic measurements of magnetic fields on solar-like stars - Techniques and results

This paper reviews the basic requirements for, and difficulties in, measuring magnetic fields on cool stars. The main types of the analysis methods are described, including methods that employ Fourier transforms; line profile models; the Mathys and Solanki (1989) method based on the difference between Fm and Fq (where Fm is the profile in nonmagnetic regions and Fq is the profile in magnetic regions); and the Basri and Marcy (1991) method based on the fact that, for optically thick lines, Zeeman splitting will increase a line's equivalent width of the Fq. The assumptions made in each case are examined and the results obtained are summarized.

Saar, Steven H.↗
NASA NTRS2003

Effects of Two-Pulse Sequencing on Characteristics of Elementary Propellants for Ablative Laser Propulsion

This work continues on previous investigations of elementary propellants for Ablative Laser Propulsion (ALP). This paper details the experimental methods used for alignment of a non-colinear temporal pulse splitting apparatus. Spatial coincidence of the separate pulses is established, the pulses are delayed, and first data is reported on this pulse spacing effect on time-of-fight (TOF) measurements. This includes ion velocity and number density measurements, and this data is compared to results from a previous work. Also, first data on the experimental determination of the time required for the laser-induced plasma to become purely reflective to incident pulses is presented.

Thompson, M. Shane↗
DOE OSTI2022

Synchrotron-based techniques for characterizing STCH water-splitting materials

Understanding the role of oxygen vacancy–induced atomic and electronic structural changes to complex metal oxides during water-splitting processes is paramount to advancing the field of solar thermochemical hydrogen production (STCH). The formulation and confirmation of a mechanism for these types of chemical reactions necessitate a multifaceted experimental approach, featuring advanced structural characterization methods. Synchrotron X-ray techniques are essential to the rapidly advancing field of STCH in part due to properties such as high brilliance, high coherence, and variable energy that provide sensitivity, resolution, and rapid data acquisition times required for the characterization of complex metal oxides during water-splitting cycles. X-ray diffraction (XRD) is commonly used for determining the structures and phase purity of new materials synthesized by solid-state techniques and monitoring the structural integrity of oxides during water-splitting processes (e.g., oxygen vacancy–induced lattice expansion). X-ray absorption spectroscopy (XAS) is an element-specific technique and is sensitive to local atomic and electronic changes encountered around metal coordination centers during redox. While in operando measurements are desirable, the experimental conditions required for such measurements (high temperatures, controlled oxygen partial pressures, and H 2 O) practically necessitate in situ measurements that do not meet all operating conditions or ex situ measurements. Here, we highlight the application of synchrotron X-ray scattering and spectroscopic techniques using both in situ and ex situ measurements, emphasizing the advantages and limitations of each method as they relate to water-splitting processes. The best practices are discussed for preparing quenched states of reduction and performing synchrotron measurements, which focus on XRD and XAS at soft (e.g., oxygen K-edge, transition metal L-edges, and lanthanide M-edges) and hard (e.g., transition metal K-edges and lanthanide L-edges) X-ray energies. The X-ray absorption spectra of these complex oxides are a convolution of multiple contributions with accurate interpretation being contingent on computational methods. The state-of-the-art methods are discussed that enable peak positions and intensities to be related to material electronic and structural properties. Through careful experimental design, these studies can elucidate complex structure–property relationships as they pertain to nonstoichiometric water splitting. A survey of modern approaches for the evaluation of water-splitting materials at synchrotron sources under various experimental conditions is provided, and available software for data analysis is discussed.

08 HYDROGEN↗
NASA NTRS1972

Kinetic theory analysis of rarefied gas flow through finite length slots

An analytic study is made of the flow a rarefied monatomic gas through a two dimensional slot. The parameters of the problem are the ratios of downstream to upstream pressures, the Knudsen number at the high pressure end (based on slot half width) and the length to slot half width ratio. A moment method of solution is used by assuming a discontinuous distribution function consisting of four Maxwellians split equally in angular space. Numerical solutions are obtained for the resulting equations. The characteristics of the transition regime are portrayed. The solutions in the free molecule limit are systematically lower than the results obtained in that limit by more accurate numerical methods.

Raghuraman, P.↗
DOE OSTI2022

A finite-volume scheme for modeling compressible magnetohydrodynamic flows at low Mach numbers in stellar interiors

Fully compressible magnetohydrodynamic (MHD) simulations are a fundamental tool for investigating the role of dynamo amplification in the generation of magnetic fields in deep convective layers of stars. The flows that arise in such environments are characterized by low (sonic) Mach numbers ($\mathscr{M}$ son ≲ 10 –2 ). In these regimes, conventional MHD codes typically show excessive dissipation and tend to be inefficient as the Courant–Friedrichs–Lewy (CFL) constraint on the time step becomes too strict. In this work we present a new method for efficiently simulating MHD flows at low Mach numbers in a space-dependent gravitational potential while still retaining all effects of compressibility. The proposed scheme is implemented in the finite-volume SEVEN-LEAGUE HYDRO (SLH) code, and it makes use of a low-Mach version of the five-wave Harten–Lax–van Leer discontinuities (HLLD) solver to reduce numerical dissipation, an implicit–explicit time discretization technique based on Strang splitting to overcome the overly strict CFL constraint, and a well-balancing method that dramatically reduces the magnitude of spatial discretization errors in strongly stratified setups. The solenoidal constraint on the magnetic field is enforced by using a constrained transport method on a staggered grid. We carry out five verification tests, including the simulation of a small-scale dynamo in a star-like environment at $\mathscr{M}$ son ~ 10 –3 . We demonstrate that the proposed scheme can be used to accurately simulate compressible MHD flows in regimes of low Mach numbers and strongly stratified setups even with moderately coarse grids.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Analysis of Lobe Power Calculator and Indication System with Physics and Cycle Based Models

The Advanced Test Reactor (ATR) at INL measures reactor power through two methods, thermal and Nitrogen-16 (N-16) activity. Water power calculator (WPC) is a thermal power system that measures flow and temperature to determine the thermal quadrant powers. The N-16 system utilizes a beta chamber detector that outputs reactivity levels to calculate lobe power through an algorithm called lobe power calculation and indication system (LPCIS). The LPCIS utilizes the N-16 system and the WPC system to determine reactor core power levels. The WPC provides accurate calculations of quadrant and total reactor thermal power. With the use of WPC measurements, thermal-to-N-16 (T2N) power ratios are produced to determine if the two indication systems agree on core power. Relative magnitude equations are used to utilize N-16 coefficients and multipliers to improve the indications of the LPCIS. This is crucial for maintaining safety limits. Currently, the LPCIS system uses linear equations and matrices to calculate lobe power through multipliers and coefficients. Advancements in technology and system upgrades have assisted system engineers at INL with the objective to reach a more dynamic system. In return the system demonstrates an increase in the accuracy of power reading while maintaining safety margins. The new proposed coefficient and multiple method implements a cycle specific, and a physics-based model intended for changing coefficients during operation. This calibration experiment focuses on power splitting, outer shim and neck shim, as well as fuel burning into the RDAS weighting factors. Results show that the Physics learning method yields a smaller error margin inside of the desired power range for the data set 166-A. This proved true for both constrained and unconstrained testing. This is most likely due to the physics data fitting approach that resulted in favorable coefficients and multipliers for 166-A. Continuing to improve the physics-based model will help improve the power accuracy of the LPCIS system.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
NASA NTRS1996

A Computational and Experimental Study of Nonlinear Aspects of Induced Drag

Despite the 80-year history of classical wing theory, considerable research has recently been directed toward planform and wake effects on induced drag. Nonlinear interactions between the trailing wake and the wing offer the possibility of reducing drag. The nonlinear effect of compressibility on induced drag characteristics may also influence wing design. This thesis deals with the prediction of these nonlinear aspects of induced drag and ways to exploit them. A potential benefit of only a few percent of the drag represents a large fuel savings for the world's commercial transport fleet. Computational methods must be applied carefully to obtain accurate induced drag predictions. Trefftz-plane drag integration is far more reliable than surface pressure integration, but is very sensitive to the accuracy of the force-free wake model. The practical use of Trefftz plane drag integration was extended to transonic flow with the Tranair full-potential code. The induced drag characteristics of a typical transport wing were studied with Tranair, a full-potential method, and A502, a high-order linear panel method to investigate changes in lift distribution and span efficiency due to compressibility. Modeling the force-free wake is a nonlinear problem, even when the flow governing equation is linear. A novel method was developed for computing the force-free wake shape. This hybrid wake-relaxation scheme couples the well-behaved nature of the discrete vortex wake with viscous-core modeling and the high-accuracy velocity prediction of the high-order panel method. The hybrid scheme produced converged wake shapes that allowed accurate Trefftz-plane integration. An unusual split-tip wing concept was studied for exploiting nonlinear wake interaction to reduced induced drag. This design exhibits significant nonlinear interactions between the wing and wake that produced a 12% reduction in induced drag compared to an equivalent elliptical wing at a lift coefficient of 0.7. The performance of the split-tip wing was also investigated by wing tunnel experiments. Induced drag was determined from force measurements by subtracting the estimated viscous drag, and from an analytical drag-decomposition method using a wake survey. The experimental results confirm the computational prediction.

Smith, Stephen C.↗
DOE OSTI2022

An Improved Method for Coupling Hydrodynamics with Astrophysical Reaction Networks

Reacting astrophysical flows can be challenging to model, because of the difficulty in accurately coupling hydrodynamics and reactions. This can be particularly acute during explosive burning or at high temperatures where nuclear statistical equilibrium is established. We develop a new approach, based on the ideas of spectral deferred corrections (SDC) coupling of explicit hydrodynamics and stiff reaction sources as an alternative to operator splitting, that is simpler than the more comprehensive SDC approach we demonstrated previously. We apply the new method to a double-detonation problem with a moderately sized astrophysical nuclear reaction network and explore the time step size and reaction network tolerances, to show that the simplified-SDC approach provides improved coupling with decreased computational expense compared to traditional Strang operator splitting. This is all done in the framework of the Castro hydrodynamics code, and all algorithm implementations are freely available.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2019

Thin film photoelectrodes for solar water splitting

Photoelectrochemical (PEC) water splitting has been intensively studied in the past decades as a promising method for large-scale solar energy storage. Among the various issues that limit the progress of this field, the lack of photoelectrode materials with suitable properties in all aspects of light absorption, charge separation and transport, and charge transfer is a key challenge, which has attracted tremendous research attention. A large variety of compositions, in different forms, have been tested. This review aims to summarize efforts in this area, with a focus on materials-related considerations. Issues discussed by this review include synthesis, optoelectronic properties, charge behaviors and catalysis. In the recognition that thin-film materials are representative model systems for the study of these issues, we elected to focus on this form, so as to provide a concise and coherent account on the different strategies that have been proposed and tested. Because practical implementation is of paramount importance to the eventual realization of using solar fuel for solar energy storage, we pay particular attention to strategies proposed to address the stability and catalytic issues, which are two key factors limiting the implementation of efficient photoelectrode materials. To keep the overall discussion focused, all discussions were presented within the context of water splitting reactions. Finally, how the thin-film systems may be applied for fundamental studies of the water splitting chemical mechanisms and how to use the model system to test device engineering design strategies are discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Exact-Two-Component Complete Active Space Method with Variational Treatment of Magnetic Field and Spin–Orbit Coupling: Application to X-ray Magnetic Circular Dichroism Spectroscopy

We introduce an exact-two-component complete active space self-consistent-field (X2C-CASSCF) method formulated under the restricted-magnetic-balance condition. This framework allows for the nonperturbative treatment of static magnetic fields using gauge-including atomic orbitals (GIAOs). The GIAO-X2C-CASSCF methodology effectively captures all microstates within the same 2J + 1-degenerate manifold and their splitting in a static magnetic field, which are not accessible through single-reference-based methods. We also present mathematical recursive expressions for evaluating one-electron relativistic integrals by using GIAOs in the presence of a finite magnetic field. Benchmark studies include oxygen and nitrogen K-edge X-ray magnetic circular dichroism spectroscopy (XMCD) for closed-shell organic compounds, as well as L-edge XMCD spectroscopy for the high-spin open-shell transition metal ion Mn 2+ and the tetrahedral Mn(II)O 4 6– complex.

Chemical calculations↗
NASA NTRS1997

TBIEM3D: A Computer Program for Predicting Ducted Fan Engine Noise

This document describes the usage of the ducted fan noise prediction program TBIEM3D (Thin duct - Boundary Integral Equation Method - 3 Dimensional). A scattering approach is adopted in which the acoustic pressure field is split into known incident and unknown scattered parts. The scattering of fan-generated noise by a finite length circular cylinder in a uniform flow field is considered. The fan noise is modeled by a collection of spinning point thrust dipoles. The program, based on a Boundary Integral Equation Method (BIEM), calculates circumferential modal coefficients of the acoustic pressure at user-specified field locations. The duct interior can be of the hard wall type or lined. The duct liner is axisymmetric, locally reactive, and can be uniform or axially segmented. TBIEM3D is written in the FORTRAN programming language. Input to TBIEM3D is minimal and consists of geometric and kinematic parameters. Discretization and numerical parameters are determined automatically by the code. Several examples are presented to demonstrate TBIEM3D capabilities.

Dunn, M. H.↗
NASA NTRS1991

An efficient solution technique for shockwave-boundary layer interactions with flow separation and slot suction effects

An efficient method for computing two-dimensional compressible Navier-Stokes flow fields is presented. The solution algorithm is a fully-implicit approximate factorization technique based on an unsymmetric line Gauss-Seidel splitting of the equation system Jacobian matrix. Convergence characteristics are improved by the addition of acceleration techniques based on Shamanskii's method for nonlinear equations and Broyden's quasi-Newton update. Characteristic-based differencing of the equations is provided by means of Van Leer's flux vector splitting. In this investigation, emphasis is placed on the fast and accurate computation of shock-wave-boundary layer interactions with and without slot suction effects. In the latter context, a set of numerical boundary conditions for simulating the transpiration flow in an open slot is devised. Both laminar and turbulent cases are considered, with turbulent closure provided by a modified Cebeci-Smith algebraic model. Comparisons with computational and experimental data sets are presented for a variety of interactions, and a fully-coupled simulation of a plenum chamber/inlet flowfield with shock interaction and suction is also shown and discussed.

Edwards, Jack R.↗