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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
NASA NTRS1998

Combined Numerical/Analytical Perturbation Solutions of the Navier-Stokes Equations for Aerodynamic Ejector/Mixer Nozzle Flows

In spite of rapid advances in both scalar and parallel computational tools, the large number of variables involved in both design and inverse problems make the use of sophisticated fluid flow models impractical, With this restriction, it is concluded that an important family of methods for mathematical/computational development are reduced or approximate fluid flow models. In this study a combined perturbation/numerical modeling methodology is developed which provides a rigorously derived family of solutions. The mathematical model is computationally more efficient than classical boundary layer but provides important two-dimensional information not available using quasi-1-d approaches. An additional strength of the current methodology is its ability to locally predict static pressure fields in a manner analogous to more sophisticated parabolized Navier Stokes (PNS) formulations. To resolve singular behavior, the model utilizes classical analytical solution techniques. Hence, analytical methods have been combined with efficient numerical methods to yield an efficient hybrid fluid flow model. In particular, the main objective of this research has been to develop a system of analytical and numerical ejector/mixer nozzle models, which require minimal empirical input. A computer code, DREA Differential Reduced Ejector/mixer Analysis has been developed with the ability to run sufficiently fast so that it may be used either as a subroutine or called by an design optimization routine. Models are of direct use to the High Speed Civil Transport Program (a joint government/industry project seeking to develop an economically.viable U.S. commercial supersonic transport vehicle) and are currently being adopted by both NASA and industry. Experimental validation of these models is provided by comparison to results obtained from open literature and Limited Exclusive Right Distribution (LERD) sources, as well as dedicated experiments performed at Texas A&M. These experiments have been performed using a hydraulic/gas flow analog. Results of comparisons of DREA computations with experimental data, which include entrainment, thrust, and local profile information, are overall good. Computational time studies indicate that DREA provides considerably more information at a lower computational cost than contemporary ejector nozzle design models. Finally. physical limitations of the method, deviations from experimental data, potential improvements and alternative formulations are described. This report represents closure to the NASA Graduate Researchers Program. Versions of the DREA code and a user's guide may be obtained from the NASA Lewis Research Center.

DeChant, Lawrence Justin↗
NASA NTRS2001

Modeling and Analysis of Wrinkled Membranes: An Overview

Thin-film membranes are basic elements of a variety of space inflatable/deployable structures. Wrinkling degrades the performance and reliability of these membrane structures, and hence has been a topic of continued interest. Wrinkling analysis of membranes for general geometry and arbitrary boundary conditions is quite challenging. The objective of this presentation is two-fold. Firstly, the existing models of wrinkled membranes and related numerical solution methods are reviewed. The important issues to be discussed are the capability of a membrane model to characterize taut, wrinkled and slack states of membranes in a consistent and physically reasonable manner; the ability of a wrinkling analysis method to predict the formation and growth of wrinkled regions, and to determine out-of-plane deformation and wrinkled waves; the convergence of a numerical solution method for wrinkling analysis; and the compatibility of a wrinkling analysis with general-purpose finite element codes. According to this review, several opening issues in modeling and analysis of wrinkled membranes that are to be addressed in future research are summarized, The second objective of this presentation is to discuss a newly developed membrane model of two viable parameters (2-VP model) and associated parametric finite element method (PFEM) for wrinkling analysis are introduced. The innovations and advantages of the proposed membrane model and PFEM-based wrinkling analysis are: (1) Via a unified stress-strain relation; the 2-VP model treat the taut, wrinkled, and slack states of membranes consistently; (2) The PFEM-based wrinkling analysis has guaranteed convergence; (3) The 2-VP model along with PFEM is capable of predicting membrane out-of-plane deformations; and (4) The PFEM can be integrated into any existing finite element code. Preliminary numerical examples are also included in this presentation to demonstrate the 2-VP model and PFEM-based wrinkling analysis approach.

Yang, B.↗
NASA NTRS1992

Numerical models of mantle convection

An overview of numerical methods describing the structure and dynamics of the mantle is presented with attention given to novel 3D modeling techniques. The paper reviews 3D spherical and Cartesian models for constant viscosity emphasizing the assumptions regarding style of convection, time dependence, and implications for the mantle. Similarly treated are 3D Cartesian models with temperature-dependent viscosities, and briefly examined are models that are based on compressibility, nonlinear viscosity, or plates. Extensive illustrations are presented detailing: (1) temperature variations from models of 3D thermal convection in spherical shells; (2) thermal anomalies in equatorial cross sections; and (3) temperature variations in a spherical shell heated from within. The discussion relates the numerical results of the models with real mantle-convection events, and the simulations are shown to yield increasingly realistic representations of material behavior.

Schubert, G.↗
DOE OSTI2024

Comparison of machine learning and electrical resistivity arrays to inverse modeling for locating and characterizing subsurface targets

Here, this study evaluates the performance of multiple machine learning (ML) algorithms and electrical resistivity (ER) arrays for inversion with comparison to a conventional Gauss-Newton numerical inversion method. Four different ML models and four arrays were used for the estimation of only six variables for locating and characterizing hypothetical subsurface targets. The combination of dipole-dipole with Multilayer Perceptron Neural Network (MLP-NN) had the highest accuracy. Evaluation showed that both MLP-NN and Gauss-Newton methods performed well for estimating the matrix resistivity while target resistivity accuracy was lower, and MLP-NN produced sharper contrast at target boundaries for the field and hypothetical data. Both methods exhibited comparable target characterization performance, whereas MLP-NN had increased accuracy compared to Gauss-Newton in prediction of target width and height, which was attributed to numerical smoothing present in the Gauss-Newton approach. MLP-NN was also applied to a field dataset acquired at U.S. DOE Hanford site.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Crack opening calculation in phase-field modeling of fluid-filled fracture: A robust and efficient strain-based method

The phase-field method has become popular for the numerical modeling of fluid-filled fractures, thanks to its ability to represent complex fracture geometry without algorithms. However, the algorithm-free representation of fracture geometry poses a significant challenge in calculating the crack opening (aperture) of phase-field fracture, which governs the fracture permeability and hence the overall hydromechanical behavior. Although several approaches have been devised to compute the crack opening of phase-field fracture, they require a sophisticated algorithm for post-processing the phase-field values or an additional parameter sensitive to the element size and alignment. Here, we develop a novel method for calculating the crack opening of fluid-filled phase-field fracture, which enables one to obtain the crack opening without additional algorithms or parameters. Here we transform the displacement-jump-based kinematics of a fracture into a continuous strain-based version, insert it into a force balance equation on the fracture, and apply the phase-field approximation. Through this procedure, we obtain a simple equation for the crack opening which can be calculated with quantities at individual material points. We verify the proposed method with analytical and numerical solutions obtained based on discrete representations of fractures, demonstrating its capability to calculate the crack opening regardless of the element size or alignment.

58 GEOSCIENCES↗
DOE OSTI2025

Modeling Protein–Protein and Protein–Ligand Interactions by the ClusPro Team in CASP16

ABSTRACT In the CASP16 experiment, our team employed hybrid computational strategies to predict both protein–protein and protein–ligand complex structures. For protein–protein docking, we combined physics‐based sampling—using ClusPro FFT docking and molecular dynamics—with AlphaFold (AF)‐based sampling, followed by AF‐based refinement. Our method produced numerous high‐accuracy complex models, including cases where AF alone failed, underscoring the critical role of physics‐based sampling alongside deep learning‐based refinement. For protein–ligand docking, we integrated the ClusPro LigTBM template‐based approach with a machine learning‐based confidence model for rescoring. The method preserves conserved interaction fragments derived from homologous complexes, followed by local resampling using physics‐based sampling and a diffusion model. Our template‐based strategy achieved a mean lDDT‐PLI of 0.69 across 233 targets, which was highly competitive. These results demonstrate that combining physics‐based modeling with AI‐driven refinement can significantly enhance the accuracy of both protein–protein and protein–ligand structure predictions.

Ashizawa, Ryota [Department of Applied Mathematics↗
NASA NTRS1981

Recent advances in reduction methods for nonlinear problems

Status and some recent developments in the application of reduction methods to nonlinear structural mechanics problems are summarized. The aspects of reduction methods discussed herein include: (1) selection of basis vectors in nonlinear static and dynamic problems, (2) application of reduction methods in nonlinear static analysis of structures subjected to prescribed edge displacements, and (3) use of reduction methods in conjunction with mixed finite element models. Numerical examples are presented to demonstrate the effectiveness of reduction methods in nonlinear problems. Also, a number of research areas which have high potential for application of reduction methods are identified.

Noor, A. K.↗
NASA NTRS1991

A planar oblique wave model for the Euler equations

A numerical method in which any transition between neighboring states in a multidimensional flowfield is reconstructed by a pattern of oblique waves. The wave pattern is obtained from a superposition of model waves which arise in a local linearization based on Rankine-Hugoniot averaging. The strengths and orientations of these waves are derived from a minimum path length rule applied in state space. Two test cases with comparisons to other methods in planar flow problems are presented to demonstrate the strengths of the method, and to point out its weaknesses.

Parpia, Ijaz H.↗
NASA NTRS2011

A Grobner Basis Solution for Lightning Ground Flash Fraction Retrieval

A Bayesian inversion method was previously introduced for retrieving the fraction of ground flashes in a set of flashes observed from a (low earth orbiting or geostationary) satellite lightning imager. The method employed a constrained mixed exponential distribution model to describe the lightning optical measurements. To obtain the optimum model parameters, a scalar function was minimized by a numerical method. In order to improve this optimization, we introduce a Grobner basis solution to obtain analytic representations of the model parameters that serve as a refined initialization scheme to the numerical optimization. Using the Grobner basis, we show that there are exactly 2 solutions involving the first 3 moments of the (exponentially distributed) data. When the mean of the ground flash optical characteristic (e.g., such as the Maximum Group Area, MGA) is larger than that for cloud flashes, then a unique solution can be obtained.

Solakiewicz, Richard↗
NASA NTRS1987

A Numerical Model of Unsteady, Subsonic Aeroelastic Behavior

A method for predicting unsteady, subsonic aeroelastic responses was developed. The technique accounts for aerodynamic nonlinearities associated with angles of attack, vortex-dominated flow, static deformations, and unsteady behavior. The fluid and the wing together are treated as a single dynamical system, and the equations of motion for the structure and flow field are integrated simultaneously and interactively in the time domain. The method employs an iterative scheme based on a predictor-corrector technique. The aerodynamic loads are computed by the general unsteady vortex-lattice method and are determined simultaneously with the motion of the wing. Because the unsteady vortex-lattice method predicts the wake as part of the solution, the history of the motion is taken into account; hysteresis is predicted. Two models are used to demonstrate the technique: a rigid wing on an elastic support experiencing plunge and pitch about the elastic axis, and an elastic wing rigidly supported at the root chord experiencing spanwise bending and twisting. The method can be readily extended to account for structural nonlinearities and/or substitute aerodynamic load models. The time domain solution coupled with the unsteady vortex-lattice method provides the capability of graphically depicting wing and wake motion.

Strganac, Thomas W.↗
NASA NTRS1983

Turbulence modeling methods for the compressible Navier-Stokes equations

Turbulence modeling methods for the compressible Navier-Stokes equations, including several zero- and two-equation eddy-viscosity models, are described and applied. Advantages and disadvantages of the models are discussed with respect to mathematical simplicity, conformity with physical theory, and numerical compatibility with methods. A new two-equation model is introduced which shows advantages over other two-equation models with regard to numerical compatibility and the ability to predict low-Reynolds-number transitional phenomena. Calculations of various transonic airfoil flows are compared with experimental results. A new implicit upwind-differencing method is used which enhances numerical stability and accuracy, and leads to rapidly convergent steady-state solutions.

Coakley, T. J.↗
NASA NTRS2001

Computation of Nonlinear Backscattering Using a High-Order Numerical Method

The nonlinear Schrodinger equation (NLS) is the standard model for propagation of intense laser beams in Kerr media. The NLS is derived from the nonlinear Helmholtz equation (NLH) by employing the paraxial approximation and neglecting the backscattered waves. In this study we use a fourth-order finite-difference method supplemented by special two-way artificial boundary conditions (ABCs) to solve the NLH as a boundary value problem. Our numerical methodology allows for a direct comparison of the NLH and NLS models and for an accurate quantitative assessment of the backscattered signal.

Fibich, G.↗
NASA NTRS2004

A Model for the Oxidation of Carbon Silicon Carbide Composite Structures

A mathematical theory and an accompanying numerical scheme have been developed for predicting the oxidation behavior of carbon silicon carbide (C/SiC) composite structures. The theory is derived from the mechanics of the flow of ideal gases through a porous solid. The result of the theoretical formulation is a set of two coupled nonlinear differential equations written in terms of the oxidant and oxide partial pressures. The differential equations are solved simultaneously to obtain the partial vapor pressures of the oxidant and oxides as a function of the spatial location and time. The local rate of carbon oxidation is determined using the map of the local oxidant partial vapor pressure along with the Arrhenius rate equation. The nonlinear differential equations are cast into matrix equations by applying the Bubnov-Galerkin weighted residual method, allowing for the solution of the differential equations numerically. The numerical method is demonstrated by utilizing the method to model the carbon oxidation and weight loss behavior of C/SiC specimens during thermogravimetric experiments. The numerical method is used to study the physics of carbon oxidation in carbon silicon carbide composites.

Sullivan, Roy M.↗
NASA NTRS2001

Restraint of Liquid Jets by Surface Tension in Microgravity Modeled

Tension in Microgravity Modeled Microgravity poses many challenges to the designer of spacecraft tanks. Chief among these are the lack of phase separation and the need to supply vapor-free liquid or liquidfree vapor to the spacecraft processes that require fluid. One of the principal problems of phase separation is the creation of liquid jets. A jet can be created by liquid filling, settling of the fluid to one end of the tank, or even closing a valve to stop the liquid flow. Anyone who has seen a fountain knows that jets occur in normal gravity also. However, in normal gravity, the gravity controls and restricts the jet flow. In microgravity, with gravity largely absent, jets must be contained by surface tension forces. Recent NASA experiments in microgravity (Tank Pressure Control Experiment, TPCE, and Vented Tank Pressure Experiment, VTRE) resulted in a wealth of data about jet behavior in microgravity. VTRE was surprising in that, although it contained a complex geometry of baffles and vanes, the limit on liquid inflow was the emergence of a liquid jet from the top of the vane structure. Clearly understanding the restraint of liquid jets by surface tension is key to managing fluids in low gravity. To model this phenomenon, we need a numerical method that can track the fluid motion and the surface tension forces. The fluid motion is modeled with the Navier-Stokes equation formulated for low-speed incompressible flows. The quantities of velocity and pressure are placed on a staggered grid, with velocity being tracked at cell faces and pressure at cell centers. The free surface is tracked via the introduction of a color function that tracks liquid as 1/2 and gas as -1/2. A phase model developed by Jacqmin is used. This model converts the discrete surface tension force into a barrier function that peaks at the free surface and decays rapidly. Previous attempts at this formulation have been criticized for smearing the interface. However, by sharpening the phase function, double gridding the fluid function, and using a higher order solution for the fluid function, interface smearing is avoided. These equations can be rewritten as two coupled Poisson equations that also include the velocity. The method of solution is as follows: first, the phase equations are solved from this solution, a velocity field is generated, then a successive overrelaxation scheme is used to solve for a pressure field consistent with the velocity solution. After the code was implemented in axisymmetric form and verified by several test cases, the drop tower runs of Aydelott were modeled. The model handed the free-surface deformation quite nicely, even to the point of modeling geyser growth in the regime where the free surface was no longer restrained. A representative run is shown.

Chato, David J.↗
NASA NTRS2001

Modeling of Convective-Stratiform Precipitation Processes: Sensitivity to Partitioning Methods and Numerical Advection Schemes

Six different convective-stratiform separation techniques, including a new technique that utilizes the ratio of vertical and terminal velocities, are compared and evaluated using two-dimensional numerical simulations of a tropical [Tropical Ocean Global Atmosphere Coupled Ocean-Atmosphere Response Experiment (TOGA COARE)] and midlatitude continental [Preliminary Regional Experiment for STORM-Central (PRESTORM)] squall line. The simulations are made using two different numerical advection schemes: 4th order and positive definite advection. Comparisons are made in terms of rainfall, cloud coverage, mass fluxes, apparent heating and moistening, mean hydrometeor profiles, CFADs (Contoured Frequency with Altitude Diagrams), microphysics, and latent heating retrieval. Overall, it was found that the different separation techniques produced results that qualitatively agreed. However, the quantitative differences were significant. Observational comparisons were unable to conclusively evaluate the performance of the techniques. Latent heating retrieval was shown to be sensitive to the use of separation technique mainly due to the stratiform region for methods that found very little stratiform rain. The midlatitude PRESTORM simulation was found to be nearly invariant with respect to advection type for most quantities while for TOGA COARE fourth order advection produced numerous shallow convective cores and positive definite advection fewer cells that were both broader and deeper penetrating above the freezing level.

Lang, Steve↗
NASA NTRS2015

Numerical Computation of a Continuous-thrust State Transition Matrix Incorporating Accurate Hardware and Ephemeris Models

A significant body of work exists showing that providing a nonlinear programming (NLP) solver with expressions for the problem constraint gradient substantially increases the speed of program execution and can also improve the robustness of convergence, especially for local optimizers. Calculation of these derivatives is often accomplished through the computation of spacecraft's state transition matrix (STM). If the two-body gravitational model is employed as is often done in the context of preliminary design, closed form expressions for these derivatives may be provided. If a high fidelity dynamics model, that might include perturbing forces such as the gravitational effect from multiple third bodies and solar radiation pressure is used then these STM's must be computed numerically. We present a method for the power hardward model and a full ephemeris model. An adaptive-step embedded eight order Dormand-Prince numerical integrator is discussed and a method for the computation of the time of flight derivatives in this framework is presented. The use of these numerically calculated derivatieves offer a substantial improvement over finite differencing in the context of a global optimizer. Specifically the inclusion of these STM's into the low thrust missiondesign tool chain in use at NASA Goddard Spaceflight Center allows for an increased preliminary mission design cadence.

Low Thrust↗
NASA NTRS2000

An Assessment of Our Ability to Model the Upper Troposphere and Lower Stratosphere in Interactive Climate Models

The physics of the upper troposphere is dominated by the different phases of water, while the lower stratosphere is governed by the presence of ozone. The tropopause may be regarded as the layer which separates the regions where stratospheric and tropospheric processes dominate the physics, but it is clearly not a smooth transition level. Modelling this region in comprehensive climate models is complicated, partly because of the constraints inherent in numerical methods (such as the finite resolution used in models) and partly because of our incomplete knowledge of the physical and chemical interactions which occur (such as the phase transitions of water and the composition of aerosols). However, studies of stratospheric impacts on climate change clearly require the tropopause region to be modelled with a high degree of accuracy. This paper will examine how well we can currently model the structure and dynamics of the tropopause region; this includes some comparisons of the simulated atmospheric composition with observational estimates of these species, some studies of discrepancies between forecasts and observations in the Data Assimilation System of the Data Assimilation office, and inferences for sparsely observed quantities. The analysis will focus on meteorological quantities, physical forcing mechanisms, and the transport and interactions of trace species.

Pawson, Steven↗