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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
NASA NTRS1985

Generalized formulation of a class of explicit and implicit TVD schemes

A one parameter family of second order explicit and implicit total variation diminishing (TVD) schemes is reformulated so that a simpler and wider group of limiters is included. The resulting scheme can be viewed as a symmetrical algorithm with a variety of numerical dissipation terms that are designed for weak solutions of hyperbolic problems. This is a generalization of Roe and Davis's recent works to a wider class of symmetric schemes other than Lax-Wendroff. The main properties of the present class of schemes are that they can be implicit, and when steady state calculations are sought, the numerical solution is independent of the time step.

Yee, H. C.↗
NASA NTRS1985

Implicit TVD schemes for hyperbolic conservation laws in curvilinear coordinates

The Harten (1983, 1984) total variation-diminishing (TVD) schemes, constituting a one-parameter explicit and implicit, second-order-accurate family, have the property of not generating spurious oscillations when applied to one-dimensional, nonlinear scalar hyperbolic conservation laws and constant coefficient hyperbolic systems. These methods are presently extended to the multidimensional hyperbolic conservation laws in curvilinear coordinates. Means by which to linearize the implicit operator and solution strategies, in order to improve the computation efficiency of the implicit algorithm, are discussed. Numerical experiments with steady state airfoil calculations indicate that the proposed linearized implicit TVD schemes are accurate and robust.

Yee, H. C.↗
DOE OSTI2022

Experiments and numerical modeling of surrogate droplet combustion for a 93 octane gasoline calibration fuel

Gasoline is the world’s most prolific liquid transportation fuel for ground transportation vehicles. Yet, a fundamental understanding of its burning characteristics is still lacking. Complicating this matter is the highly multicomponent nature of gasoline (comprised of hundreds of chemical species) and the seasonable variability of its composition due to variations in the crude oil feedstocks used in refining. The need to bring order to this complex problem has led to development of calibration fuels (Tier II in presented study) which on average will provide repeatable metrics that replicate performance of refined gasoline for various engine designs. This study presents results of experiments using the configuration of an isolated droplet to study the combustion dynamics of calibration fuel and three different surrogates (S4, S5, S6) for the calibration fuel. Droplet burning is under microgravity conditions, where gas transport is determined entirely by fuel evaporation in order to promote spherical symmetry in the burning process. The initial droplet diameters ranged between 0.55 mm and 0.60 mm. The droplets were spark-ignited and their burning histories were recorded by digital video cameras to obtain quantitative data. For each fuel, the evolutions of droplet, flame, and soot-shell diameters were measured to calculate the burn rates, flame-droplet diameter ratios (FSR) and soot-droplet diameter ratios. Additionally, a detailed numerical modeling is presented. This simulation includes multicomponent phase equilibrium, unsteady gas and liquid transport, radiative heat transfer, internal liquid diffusion and detailed combustion chemistry of different fuels during their burning process. Experiment results show that the calibration fuel and surrogates have a close burn rates and FSR, and S5 presents a relatively similar results with calibration fuel. Predictions from the numerical simulation using the surrogate are compared with experiment measurements, which showed a good agreement with the experiment results, including the droplet burning rate and FSR.

Guo, Songtao↗
DOE OSTI2020

Deposit geometry and oxygen concentration spatial variations due to composition change in printed functionally graded components

Functionally graded materials (FGMs) with site specific chemical composition are commonly manufactured by directed energy deposition (DED). Although previous work fabricated an FGM with a compositional variation between a ferritic and austenitic alloy, difficulties arose due to variations in deposit shape with composition change. This problem also occurs for FGMs in literature; however, unlike other cases, the thermophysical properties of these two alloys were similar throughout the build. Here, we investigate the role of chemical composition and surface-active elements on deposit geometry during the manufacture of FGMs by laser DED. Single-track experiments for the relevant FGM compositions are analyzed with results from a well-tested, three-dimensional, transient numerical heat transfer and fluid flow model and thermodynamic calculations. Experiments showed deposit shape varied as a function of composition for constant laser power and scan speed. Thermodynamic analysis indicated that the oxygen solubility in the fusion zone varied significantly for each composition used for the FGM. Numerical modeling revealed that the change in fluid flow caused by Marangoni convection due to dissolved oxygen in the fusion zone were mainly responsible for the changes in deposit shape observed in experiments. Finally, because oxygen can be introduced into the fusion zone through the feedstock as well as the surrounding atmosphere, these findings elucidate a previously unconsidered aspect of process control during DED fabrication of FGMs.

36 MATERIALS SCIENCE↗
NASA NTRS1992

Structural analysis of an NDE-inspected carbon-carbon component

In this research, it is demonstrated that the integration of nondestructive evaluation with the finite element method (a quantitative NDE/FEM approach) can be used for analysis and behavior prediction of advanced materials, such as fiber composites, after processing and during in-service testing. First, stress, strain, and energy data were calculated by the finite element method for square plates with a 10 percent difference in the material properties between specified segments, i.e., between the center and the outside section or between two halves of the plate. This demonstrated the efficiency of the method in predicting variations in the structural behavior based on small material property differences. Then, finite element analyses and actual axial compression tests were performed on a Space Shuttle brake stator made from woven carbon-carbon composites. The material properties used in the numerical modeling of the stator were previously characterized at a large number of points on the component by quantitative NDE-procedures, i.e., ultrasonics and radiography. The results from the experimental compressive loading tests were used to verify the NDE/FEM results. Good agreement was found for most parameters.

Striz, A. G.↗
NASA NTRS1992

An analytic formula for H-infinity norm sensitivity with applications to control system design

An analytic formula for the sensitivity of singular value peak variation with respect to parameter variation is derived. As a corollary, the derivative of the H-infinity norm of a stable transfer function with respect to a parameter is presented. It depends on some of the first two derivatives of the transfer function with respect to frequency and the parameter. For cases when the transfer function has a linear system realization whose matrices depend on the parameter, analytic formulas for these first two derivatives are derived, and an efficient algorithm for calculating them is discussed. Examples are given which provide numerical verification of the H-infinity norm sensitivity formula and which demonstrate its utility in designing control systems satisfying H-infinity norm constraints. In the appendix, derivative formulas for singular values are paraphrased.

Giesy, Daniel P.↗
NASA NTRS1994

Effects of non-unity Lewis numbers in diffusion flames

The purpose of this work is to carry out direct numerical simulations of diffusion controlled combustion with non-unity Lewis numbers for the reactants and products, thus accounting for the differential diffusion effects of the temperature and concentration fields. We use a formulation based on combining the conservation equations in a way to eliminate the reaction terms similar to the method used by Burke and Schumann (1928) for unity Lewis numbers. We present calculations for an axisymmetric fuel jet and for a planar, time evolving mixing layer, leaving out the effects of thermal expansion and variations of the transport coefficients due to the heat release. Our results show that the front of the flame shifts toward the fuel or oxygen sides owing to the effect of the differential diffusion and that the location of maximum temperature may not coincide with the flame. The dependence of the distribution of the reaction products on their Lewis number has been investigated.

Linan, A.↗
NASA NTRS1993

Flexure-torsion behavior of prismatic beams. I - Section properties via power series

The behavior of a tip-loaded cantilever beam with an arbitrary cross section is studied using Saint-Venant's semi-inverse method along with a power series solution for the out-of-plane flexure and torsion warping functions. The power series coefficients are determined by solving a set of variationally derived linear algebraic equations. For complex cross sections, the calculated coefficients represented a 'best-fit approximation' to the exact warping function. The resulting warping functions are used to determine the cross-sectional properties (torsion constant, shear correction factors, shear deformation coefficients, and shear center location). A new linear relation is developed for locating the shear center, where the twist rate is zero about the line of shear centers. Moreover, the kinematic relations for a new fully compatible one-dimensional beam theory are developed. Numerical results are presented first to verify the approach and second to provide section data on NACA four-series airfoils not currently found in the literature.

Kosmatka, J. B.↗
NASA NTRS1995

Multiple burn fuel-optimal orbit transfers: Numerical trajectory computation and neighboring optimal feedback guidance

This report describes current work in the numerical computation of multiple burn, fuel-optimal orbit transfers and presents an analysis of the second variation for extremal multiple burn orbital transfers as well as a discussion of a guidance scheme which may be implemented for such transfers. The discussion of numerical computation focuses on the use of multivariate interpolation to aid the computation in the numerical optimization. The second variation analysis includes the development of the conditions for the examination of both fixed and free final time transfers. Evaluations for fixed final time are presented for extremal one, two, and three burn solutions of the first variation. The free final time problem is considered for an extremal two burn solution. In addition, corresponding changes of the second variation formulation over thrust arcs and coast arcs are included. The guidance scheme discussed is an implicit scheme which implements a neighboring optimal feedback guidance strategy to calculate both thrust direction and thrust on-off times.

Chuang, C.-H.↗
NASA NTRS2007

Spacebased Estimation of Moisture Transport in Marine Atmosphere Using Support Vector Regression

An improved algorithm is developed based on support vector regression (SVR) to estimate horizonal water vapor transport integrated through the depth of the atmosphere ((Theta)) over the global ocean from observations of surface wind-stress vector by QuikSCAT, cloud drift wind vector derived from the Multi-angle Imaging SpectroRadiometer (MISR) and geostationary satellites, and precipitable water from the Special Sensor Microwave/Imager (SSM/I). The statistical relation is established between the input parameters (the surface wind stress, the 850 mb wind, the precipitable water, time and location) and the target data ((Theta) calculated from rawinsondes and reanalysis of numerical weather prediction model). The results are validated with independent daily rawinsonde observations, monthly mean reanalysis data, and through regional water balance. This study clearly demonstrates the improvement of (Theta) derived from satellite data using SVR over previous data sets based on linear regression and neural network. The SVR methodology reduces both mean bias and standard deviation comparedwith rawinsonde observations. It agrees better with observations from synoptic to seasonal time scales, and compare more favorably with the reanalysis data on seasonal variations. Only the SVR result can achieve the water balance over South America. The rationale of the advantage by SVR method and the impact of adding the upper level wind will also be discussed.

Support vector regression↗
DOE OSTI2022

Numerical simulations of noisy quantum circuits for computational chemistry

The opportunities afforded by near-term quantum computers to calculate the ground-state properties of small molecules depend on the structure of the computational ansatz as well as the errors induced by device noise. Here we investigate the behavior of these noisy quantum circuits using numerical simulations to estimate the accuracy and fidelity of the prepared quantum states relative to the ground truth obtained by conventional means. We implement several different types of ansatz circuits derived from unitary coupled cluster theory for the purposes of estimating the ground-state energy of sodium hydride using the variational quantum eigensolver algorithm. We show how relative error in the energy and the fidelity scale with the levels of gate-based noise, the internuclear configuration, the ansatz circuit depth, and the parameter optimization methods.

36 MATERIALS SCIENCE↗
NASA NTRS1972

Microwave brightness temperature of a windblown sea

A mathematical model is developed for the apparent temperature of the sea at all microwave frequencies. The model is a numerical model in which both the clear water structure and white water are accounted for as a function of wind speed. The model produces results similar to Stogryn's model at 19.35 GHz for wind speeds less than 8 m/sec; it can use radiosonde data to calculate atmospheric effects and can incorporate an empirically determined antenna gain pattern. The corresponding computer program is of modular design and the logic of the main program is capable of treating a horizontally inhomogeneous surface or atmosphere. It is shown that a variation of microwave brightness temperature with zenith angle is necessary to produce the wind sensitivity of the horizontally polarized brightness temperature; the variation of sky temperature with frequency is sufficient to produce a frequency dependent wind sensitivity.

Hall, F. G.↗
NASA NTRS1992

Flexure-torsion behavior of sheat-deformable beams with applications to aircraft wing sections

The flexure-torsion behavior of a tip-loaded cantilever beam with an arbitrary cross-section is studied using Saint-Venant's semi-inverse method along with a power series solution for the out-of-plane flexure and torsion warping functions. The power series coefficients are determined by solving a set of variationally derived linear algebraic equations. For complex cross-sections, the calculated coefficients represent a 'best-fit approximation' to the exact warping function. The resulting warping functions are used to determine the cross-section properties including: the torsion constant, shear deformation coefficients, shear correction factors, and the shear center location. A new linear relation is developed for locating the shear center using the Saint-Venant flexure and torsion solutions, where the twist rate is zero about the line of shear centers (not the centroidal axis). Numerical results are presented for a triangular cross-section and different NACA airfoils.

Kosmatka, J. B.↗
NASA NTRS1994

An Exact Separation of the Spin-Free and Spin-Dependent Terms of the Dirac-Coulomb-Breit Hamiltonian

The Dirac Hamiltonian is transformed by extracting the operator (sigma x p)/2mc from the small component of the wave function and applying it to the operators of the original Hamiltonian. The resultant operators contain products of Paull matrices that can be rearranged to give spin-free and spin-dependent operators. These operators are the ones encountered in the Breit-Pauli Hamiltonian, as well as some of higher order in alpha(sup 2). However, since the transformation of the original Dirac Hamiltonian is exact, the new Hamiltonian can be used in variational calculations, with or without the spin-dependent terms. The new small component functions have the same symmetry properties as the large component. Use of only the spin-free terms of the new Hamiltonian permits the same factorization over spin variables as in nonrelativistic theory, and therefore all the post-Self-Consistent Field (SCF) machinery of nonrelativistic calculations can be applied. However, the single-particle functions are two-component orbitals having a large and small component, and the SCF methods must be modified accordingly. Numerical examples are presented, and comparisons are made with the spin-free second-order Douglas-Kroll transformed Hamiltonian of Hess.

Dyall, Kenneth G.↗
NASA NTRS2012

Calculating Soil Wetness, Evapotranspiration and Carbon Cycle Processes Over Large Grid Areas Using a New Scaling Technique

Soil wetness typically shows great spatial variability over the length scales of general circulation model (GCM) grid areas (approx 100 km ), and the functions relating evapotranspiration and photosynthetic rate to local-scale (approx 1 m) soil wetness are highly non-linear. Soil respiration is also highly dependent on very small-scale variations in soil wetness. We therefore expect significant inaccuracies whenever we insert a single grid area-average soil wetness value into a function to calculate any of these rates for the grid area. For the particular case of evapotranspiration., this method - use of a grid-averaged soil wetness value - can also provoke severe oscillations in the evapotranspiration rate and soil wetness under some conditions. A method is presented whereby the probability distribution timction(pdf) for soil wetness within a grid area is represented by binning. and numerical integration of the binned pdf is performed to provide a spatially-integrated wetness stress term for the whole grid area, which then permits calculation of grid area fluxes in a single operation. The method is very accurate when 10 or more bins are used, can deal realistically with spatially variable precipitation, conserves moisture exactly and allows for precise modification of the soil wetness pdf after every time step. The method could also be applied to other ecological problems where small-scale processes must be area-integrated, or upscaled, to estimate fluxes over large areas, for example in treatments of the terrestrial carbon budget or trace gas generation.

Sellers, Piers↗
DOE OSTI2023

Calculation of Dynamical Response Functions Using a Bound-State Method

Abstract We investigate a method to extract response functions (dynamical polarisabilities) directly from a bound-state approach applied to calculations of perturbation-induced reactions. The use of a square-integrable basis leads to a response in the form of a sum of $$\delta $$ δ functions. We integrate this over energy and fit a smooth function to the resulting stepwise-continuous one. Its derivative gives the final approximation to the physical response function. We show that the method reproduces analytical results where known, and analyse the details for a variety of models. We apply it to some simple models, using the stochastic variational method as the numerical method. Albeit we find that this approach, and other numerical techniques, have some difficulties with the threshold behavior in coupled-channel problems with multiple thresholds, its stochastic nature allows us to extract robust results even for such cases.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Geometry-driven modeling of electron localization in InAs/GaAs double quantum dots

The coupled electronic states in two-dimensional (2D) and three-dimensional (3D) double quantum dot (DQD) systems are investigated using a phenomenological model applied to InAs/GaAs heterostructures. The single-band k • p effective potential approach previously proposed by our group is employed to numerically calculate the energy spectrum and spatial localization of a single electron, serving as an indicator of the coupling strength within the binary system. For identical quantum dots (QDs) in a DQD, the electronic states exhibit ideal coherence. We systematically vary the DQD geometry and the strength of the confinement potential (via an applied electric field) to examine the effects of symmetry breaking and the sensitivity of electron localization in both identical and nearly identical DQDs. Our results show that coherence in DQDs is highly sensitive to these subtle variations. This sensitivity can be harnessed to detect changes in the surrounding environment, such as fluctuations in chemical or electrical properties that affect the DQD system.

electron localization↗
NASA NTRS1978

Finite elements and finite differences for transonic flow calculations

The paper reviews the chief finite difference and finite element techniques used for numerical solution of nonlinear mixed elliptic-hyperbolic equations governing transonic flow. The forms of the governing equations for unsteady two-dimensional transonic flow considered are the Euler equation, the full potential equation in both conservative and nonconservative form, the transonic small-disturbance equation in both conservative and nonconservative form, and the hodograph equations for the small-disturbance case and the full-potential case. Finite difference methods considered include time-dependent methods, relaxation methods, semidirect methods, and hybrid methods. Finite element methods include finite element Lax-Wendroff schemes, implicit Galerkin method, mixed variational principles, dual iterative procedures, optimal control methods and least squares.

Hafez, M. M.↗