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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Numerical Evidence of Multiple Solutions for the Reynolds-Averaged Navier–Stokes Equations

In this paper, evidence is presented for the existence of multiple solutions of Reynolds-averaged Navier–Stokes equations with the one-equation Spalart–Allmaras and two-equation Wilcox $k-ω$ turbulence models on fixed grids in three dimensions and how they were obtained is described. The two major configurations considered are an “academic” extruded two-dimensional airfoil geometry and the trap wing test case. The observed appearance of the multiple solutions seems to be closely related to smooth body separation (sometimes massive) routinely observed in flows over high-lift configurations, especially near stall angles of attack. The results are obtained and cross-verified with two stabilized finite-element codes (streamwise upwind Petrov–Galerkin), which provide residual converged results for complex flows with second-order discretizations. In the paper, the ways multiple solutions have been obtained are described, including such obvious ones as providing a different initial guess to the steady-state solver as well as somewhat unexpected (in this context) techniques of using implicit residual smoothing while time marching to steady state. The phenomenon of the so-called pseudosolutions is also discussed, which is loosely defined as solutions to the discrete system of equations having “sharp” convergence behavior (sometimes up to six to seven orders of the relative residual reduction), which fail to achieve the stronger, machine-zero convergence criterion. Some numerical observations are also presented on the sensitivity of the obtained multiple solutions to the discretization and grid perturbations.

Engineering↗
DOE OSTI2022

A computational pipeline to generate a synthetic dataset of metal ion sorption to oxides for AI/ML exploration

The charged mineral/electrolyte interfaces are ubiquitous in the surface and subsurface–including the surroundings of the geological disposal sites for radioactive waste. Therefore, understanding how ions interact with charged surfaces is critically important for predicting radionuclide mobility in the case of waste leakage. At present, the Surface Complexation Models (SCMs) are the most successful thermodynamic frameworks to describe ion retention by mineral surfaces. SCMs are interfacial speciation models that account for the effect of the electric field generated by charged surfaces on sorption equilibria. These models have been successfully used to analyze and interpret a broad range of experimental observations including potentiometric and electrokinetic titrations or spectroscopy. Unfortunately, many of the current procedures to solve and fit SCM to experimental data are not optimal, which leads to a non-transferable or non-unique description of interfacial electrostatics and consequently of the strength and extent of ion retention by mineral surfaces. Recent developments in Artificial Intelligence (AI) offer a new avenue to replace SCM solvers and fitting algorithms with trained AI surrogates. Unfortunately, there is a lack of a standardized dataset covering a wide range of SCM parameter values available for AI exploration and training–a gap filled by this study. Here, we described the computational pipeline to generate synthetic SCM data and discussed approaches to transform this dataset into AI-learnable input. First, we used this pipeline to generate a synthetic dataset of electrostatic properties for a broad range of the prototypical oxide/electrolyte interfaces. The next step is to extend this dataset to include complex radionuclide sorption and complexation, and finally, to provide trained AI architectures able to infer SCMs parameter values rapidly from experimental data. Here, we illustrated the AI-surrogate development using the ensemble learning algorithms, such as Random Forest and Gradient Boosting. These surrogate models allow a rapid prediction of the SCM model parameters, do not rely on an initial guess, and guarantee convergence in all cases.

Li, Chunhui↗
DOE OSTI2021

A Hybrid Energy System Workflow for Energy Portfolio Optimization

This manuscript develops a workflow, driven by data analytics algorithms, to support the optimization of the economic performance of an Integrated Energy System. The goal is to determine the optimum mix of capacities from a set of different energy producers (e.g., nuclear, gas, wind and solar). A stochastic-based optimizer is employed, based on Gaussian Process Modeling, which requires numerous samples for its training. Each sample represents a time series describing the demand, load, or other operational and economic profiles for various types of energy producers. These samples are synthetically generated using a reduced order modeling algorithm that reads a limited set of historical data, such as demand and load data from past years. Numerous data analysis methods are employed to construct the reduced order models, including, for example, the Auto Regressive Moving Average, Fourier series decomposition, and the peak detection algorithm. All these algorithms are designed to detrend the data and extract features that can be employed to generate synthetic time histories that preserve the statistical properties of the original limited historical data. The optimization cost function is based on an economic model that assesses the effective cost of energy based on two figures of merit: the specific cash flow stream for each energy producer and the total Net Present Value. An initial guess for the optimal capacities is obtained using the screening curve method. The results of the Gaussian Process model-based optimization are assessed using an exhaustive Monte Carlo search, with the results indicating reasonable optimization results. The workflow has been implemented inside the Idaho National Laboratory’s Risk Analysis and Virtual Environment (RAVEN) framework. The main contribution of this study addresses several challenges in the current optimization methods of the energy portfolios in IES: First, the feasibility of generating the synthetic time series of the periodic peak data; Second, the computational burden of the conventional stochastic optimization of the energy portfolio, associated with the need for repeated executions of system models; Third, the inadequacies of previous studies in terms of the comparisons of the impact of the economic parameters. The proposed workflow can provide a scientifically defendable strategy to support decision-making in the electricity market and to help energy distributors develop a better understanding of the performance of integrated energy systems.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2017

Lower-tropospheric CO 2 from near-infrared ACOS-GOSAT observations

We present two new products from near-infrared Greenhouse Gases Observing Satellite (GOSAT) observations: lowermost tropospheric (LMT, from 0 to 2.5 km) and upper tropospheric–stratospheric ( U , above 2.5 km) carbon dioxide partial column mixing ratios. We compare these new products to aircraft profiles and remote surface flask measurements and find that the seasonal and year-to-year variations in the new partial column mixing ratios significantly improve upon the Atmospheric CO 2 Observations from Space (ACOS) and GOSAT (ACOS-GOSAT) initial guess and/or a priori, with distinct patterns in the LMT and U seasonal cycles that match validation data. For land monthly averages, we find errors of 1.9, 0.7, and 0.8 ppm for retrieved GOSAT LMT, U , and X CO 2 ; for ocean monthly averages, we find errors of 0.7, 0.5, and 0.5 ppm for retrieved GOSAT LMT, U , and X CO 2 . In the southern hemispheric biomass burning season, the new partial columns show similar patterns to MODIS fire maps and MOPITT multispectral CO for both vertical levels, despite a flat ACOS-GOSAT prior, and a CO–CO 2 emission factor comparable to published values. The difference of LMT and U , useful for evaluation of model transport error, has also been validated with a monthly average error of 0.8 (1.4) ppm for ocean (land). LMT is more locally influenced than U , meaning that local fluxes can now be better separated from CO 2 transported from far away.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Neural Networks for Prediction of Complex Chemistry in Water Treatment Process Optimization

Water chemistry plays a critical role in the design and operation of water treatment processes. Detailed chemistry modeling tools use a combination of advanced thermodynamic models and extensive databases to predict phase equilibria and reaction phenomena. The complexity and formulation of these models preclude their direct integration in equation-oriented modeling platforms, making it difficult to use their capabilities for rigorous water treatment process optimization. Neural networks (NN) can provide a pathway for integrating the predictive capability of chemistry software into equation-oriented models and enable optimization of complex water treatment processes across a broad range of conditions and process designs. Herein, we assess how NN architecture and training data impact their accuracy and use in equation-oriented water treatment models. We generate training data using PhreeqC software and determine how data generation and sample size impact the accuracy of trained NNs. The effect of NN architecture on optimization is evaluated by optimizing hypothetical black-box desalination processes using a range of feed compositions from USGS brackish water data set, tracking the number of successful optimizations, and testing the impact of initial guess on the final solution. Our results clearly demonstrate that data generation and architecture impact NN accuracy and viability for use in equation-oriented optimization problems.

Dudchenko, Alexander V↗
NASA NTRS1966

Sensory, Decision and Control Systems: April to July 1966

The quarter reported here for the NASA contract, and the longer period reported for the Air Force contract, saw the development of two system concepts for the transmission of video data from a remote location to Earth. In the simpler system, a stereoscopic outline together with other data such as reflectance and possibly the texture of objects will be transmitted to Earth. The objects considered are those larger than a predetermined size and within a predetermined range. From the stereoscopic outlines presented to the operator on Earth he will decide what objects he would like pictured in full TV frames and order these transmitted. In the more elaborate system, TV cameras will be carried on a vehicle and the direction in which the vehicle moves will be chosen by an onboard decision computer. Perceptual decisions may also be made to identify objects whose characteristics have been reported to Earth and whose value to the Earth observer has been communicated back to the perceptual computer. The assembly of cameras, perceptual computer, decision computer and vehicle is called a robot. Photosensors for this robot are television cameras, the first models of which have been tested under computer control. A model of both the perceptual computer and the decision computer has been simulated. It consists of 12 modules, each of which makes an initial guess as to what the response to incoming data should be. Each takes the data from all other modules and combines it in a nonlinear fashion with the data coming directly into it to arrive at a mixed guess as to what act should be performed. When 60% of the modules vote 0. 5 probability for one act, that act is performed. Convergence to a satisfactory decision took from 5 to 25 time steps. The model of the frog's retina previously reported is here extended to that part of the brain, called the tectum, where the frog begins to respond to objects detected by the retina.

Control system↗
NASA NTRS1969

Determination of the temperature profile in an atmosphere from its outgoing radiation

A highly convergent relaxation method for the inversion of the full radiative transfer equation was developed. The results of the iterative solution indicate that convergence can be achieved over a wide range of initial guesses, enabling the temperature profile of a relatively unknown atmosphere to be unambiguously determined. The method is illustrated by examples for the outgoing radiance in the earth's atmosphere for the region of the 4.3 microns CO2 band, but can be similarly applied in other frequency ranges.

Chahine, M. T.↗
NASA NTRS1972

Calculation of free-fall trajectories using numerical optimization methods.

An important problem in space flight is the calculation of trajectories for nonthrusting vehicles between fixed points in a given time. A new procedure based on Hamilton's principle for solving such two-point boundary-value problems is presented. It employs numerical optimization methods to perform the extremization required by Hamilton's principle. This procedure is applied to the calculation of an Earth-Moon trajectory. The results show that the initial guesses required to obtain an iteration procedure which converges are not critical and that convergence can be obtained to any predetermined degree of accuracy.

Hull, D. G.↗
NASA NTRS1972

The lunar conductivity profile and the nonuniqueness of electromagnetic data inversion.

A review of the theory for the electromagnetic functional used to date to determine the lunar conductivity profile from spectral analyses of lunar magnetometer data. The 'hard' boundary condition used by Sonett et al. (1971) and others appears to be a good approximation for the sunlit lunar hemisphere. The use of the spectral data in conjunction with the functional to find a least squares conductivity profile is examined from the point of view of the nonuniqueness of nonlinear estimation. An unsuccessful search was carried out to find models that were both geophysically reasonable and consistent with the data. It is asserted that the failure to find these models is due to the inadequacy of the functional. Of the models generated, those that best fit the data all have a conductivity peak at a depth of 240 km similar to that of the model discussed by Sonett et al. However, all of these models are quite distinct elsewhere in the profile. It is shown how such models are dependent on both the nature of the functional as well as the initial guess in the least squares procedure. A correlation analysis shows that the only resolvable features from this type of model are a low conductivity crust, a high conductivity peak of limited radial extent, and a low conductivity zone beneath the peak.

Phillips, R. J.↗
NASA NTRS1973

Optimal detumbling of a large manned spacecraft using an internal moving mass

The use of a movable mass control system to stabilize an arbitrarily tumbling asymmetric vehicle about the maximum inertia axis is considered. A first-order gradient optimization technique is used to minimize angular velocity components along the intermediate and minimum inertia axes. This method permits a wide range of initial guesses for mass position history. Motion of the control mass is along a linear track fixed in the vehicle. The control variable is taken as mass acceleration with respect to body coordinates. Motion is limited to defined quantities and a penalty function is used to insure a given range of positions. Numerical solutions of the optimization equations verify that minimum time detumbling is achieved with the largest permissible movable mass, length of linear track, and positions of the mass on the two coordinates perpendicular to the linear motion.

Kunciw, B. G.↗
NASA NTRS1974

Low thrust space vehicle trajectory optimization using regularized variables

Optimizing the trajectory of a low thrust space vehicle usually means solving a nonlinear two point boundary value problem. In general, accuracy requirements necessitate extensive computation times. In celestial mechanics, regularizing transformations of the equations of motion are used to eliminate computational and analytical problems that occur during close approaches to gravitational force centers. It was shown in previous investigations that regularization in the formulation of the trajectory optimization problem may reduce the computation time. In this study, a set of regularized equations describing the optimal trajectory of a continuously thrusting space vehicle is derived. The computational characteristics of the set are investigated and compared to the classical Newtonian unregularized set of equations. The comparison is made for low thrust, minimum time, escape trajectories and numerical calculations of Keplerian orbits. The comparison indicates that in the cases investigated for bad initial guesses of the known boundary values a remarkable reduction in the computation time was achieved. Furthermore, the investigated set of regularized equations shows high numerical stability even for long duration flights and is less sensitive to errors in the guesses of the unknown boundary values.

Schwenzfeger, K. J.↗
NASA NTRS1975

On the variational equations for Householder transformations in feature selection

Results that suggest the possibility of using a sequential monotone process for solving the feature selection problem using Householder transformations are applied to the divergence separability criterion and an expression for the gradient of the divergence with respect to the generator of a single Householder transformation will be developed. This expression for the gradient is used in any number of differential correction schemes (iterators) that attempt to extremize the divergence. Data sets provided by the Earth Observations Division-JSC are used to demonstrate selecting the Householder transformations that generate the kxn matrix defining the best (in the sense of extremizing the divergence) k linear combinations of features. The tests allow initial comparisons to be made with results. In particular, this technique does not appear to require initial guesses for the iterator to be generated without replacement, exhaustive search, or other similar schemes.

Decell, H. P., Jr.↗
NASA NTRS1975

Relaxation methods in fluid mechanics

The present work considers the iterative solution of a coupled set of difference equations and examines methods that carry successive approximates to a state that is invariant with further iteration and independent of the initial guess. Methods are studied with regard to their efficiency and economy of computer resources. The basic principles of classical relaxation are set forth, with attention confined to linear elliptic equations. This discussion involves the evaluation of the spectral radius that is the magnitude of the eigenvalue with largest modulus. The subject of relaxation is then related to the study of ordinary differential equations and hyperbolic partial differential equations. Problems that occur when linearly dependent eigenvectors appear in the relaxation matrix are discussed, leading to multiply connected eigenvalues in the Jordan canonical form. Finally, a brief survey of relaxation methods used in aerodynamics is given.

Lomax, H.↗
NASA NTRS1974

Optimal detumbling of a large manned spacecraft using an internal moving mass

This investigation deals with the use of a movable mass control system to stabilize a tumbling asymmetric spacecraft about the maximum inertia axis. A first-order gradient optimization technique is used to minimize angular velocity components along the intermediate and minimum inertia axes, thus, permitting a wide range of initial guesses for mass position history. Motion of the control mass is along a linear track fixed in the vehicle. The control variable is taken as mass acceleration with respect to body coordinates. Motion is limited to defined quantities and a penalty function is used to insure a given range of positions. Numerical solutions of the optimization equations verify that minimum time detumbling is achieved with the largest permissible movable mass, length of linear track, and positions of the mass on the two coordinates perpendicular to the linear motion. The optimal method permits detumbling in about one-fourth the time when compared to a force control law formulation available in the literature.

Kunciw, B. G.↗
NASA NTRS1975

The inversion of aureole measurements to derive aerosol size distributions

An iterative method to invert size distributions from simulated scattered radiance measurements at small angles from the sun has been investigated. The inferred size distributions were represented by piecewise linear and cubic spline functions. Various relevant characteristics were investigated and it was found that: (1) the inverted size distribution was insensitive to the number of knots in the piecewise linear spline; (2) within the range of sensitivity, the choice of initial guess had little effect on the inverted size distribution; (3) five per cent random noise in the simulated radiances appreciably deteriorated the result but variations are still tolerable when compared with other methods for determining size distributions; (4) the inverted distribution was insensitive to the index of refraction used in the kernel for particle radii greater than 1 micron; (5) the choice of wavelength between 0.40 and 0.70 microns has a negligible effect on the inverted distribution; (6) a range of tropospheric aerosol size distributions gives acceptable inverted results; and (7) the cubic spline representation can give reasonable inverted distributions, but may become unstable.

Twitty, J. T.↗
NASA NTRS1977

Initial values for the integration scheme to compute the eigenvalues for propagation in ducts

A scheme for the calculation of eigenvalues in the problem of acoustic propagation in a two-dimensional duct is described. The computation method involves changing the coupled transcendental nonlinear algebraic equations into an initial value problem involving a nonlinear ordinary differential equation. The simplest approach is to use as initial values the hardwall eigenvalues and to integrate away from these values as the admittance varies from zero to its actual value with a linear variation. The approach leads to a powerful root finding routine capable of computing the transverse and axial wave numbers for two-dimensional ducts for any frequency, lining, admittance and Mach number without requiring initial guesses or starting points.

Eversman, W.↗