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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 775 records · Page 43
All sourcesNASA NTRSDOE OSTI
NASA NTRS2000

Magnetic Field Suppression of Flow in Semiconductor Melt

One of the most promising approaches for the reduction of convection during the crystal growth of conductive melts (semiconductor crystals) is the application of magnetic fields. Current technology allows the experimentation with very intense static fields (up to 80 KGauss) for which nearly convection free results are expected from simple scaling analysis in stabilized systems (vertical Bridgman method with axial magnetic field). However, controversial experimental results were obtained. The computational methods are, therefore, a fundamental tool in the understanding of the phenomena accounting during the solidification of semiconductor materials. Moreover, effects like the bending of the isomagnetic lines, different aspect ratios and misalignments between the direction of the gravity and magnetic field vectors can not be analyzed with analytical methods. The earliest numerical results showed controversial conclusions and are not able to explain the experimental results. Although the generated flows are extremely low, the computational task is a complicated because of the thin boundary layers. That is one of the reasons for the discrepancy in the results that numerical studies reported. Modeling of these magnetically damped crystal growth experiments requires advanced numerical methods. We used, for comparison, three different approaches to obtain the solution of the problem of thermal convection flows: (1) Spectral method in spectral superelement implementation, (2) Finite element method with regularization for boundary layers, (3) Multiquadric method, a novel method with global radial basis functions, that is proven to have exponential convergence. The results obtained by these three methods are presented for a wide region of Rayleigh and Hartman numbers. Comparison and discussion of accuracy, efficiency, reliability and agreement with experimental results will be presented as well.

Fedoseyev, A. I.↗
NASA NTRS1988

Overview of CFD methods and comparison with flight aerothermal data

An overview of previously published aerothermal investigations which demonstrate the capabilities of detailed computational fluid dynamics and engineering codes to predict the aerothermal environment about an entry vehicle is presented. The overview consists of a brief discussion of the computational methods and experimental data and includes comparisons between the computed results and data. The overview focuses primarily on analyses of flight data since these data provide the unique capability to assess the real-gas chemistry options in the codes. The computed results are based on a series of codes which are employed by the Aerothermodynamics Branch of the Space System Division at the Langley Research Center. The flight data, which were measured on the Reentry F, the Space Shuttle, and the Fire II vehicles, represent a wide range of vehicle configurations and freestream conditions. Also, results of one recent set of ground tests are included since the tests provide data on a model of a pending flight project. The comparisons of the predicted results and data demonstrate the adequacy of the present computational fluid dynamics capabilities and indicate the potential to predict the aerothermal environment about future flight vehicles.

Sutton, Kenneth↗
NASA NTRS1977

Analysis of steranes and triterpanes in geolipid extracts by automatic classification of mass spectra

A computer method is described for the automatic classification of triterpanes and steranes into gross structural type from their mass spectral characteristics. The method has been applied to the spectra obtained by gas-chromatographic/mass-spectroscopic analysis of two mixtures of standards and of hydrocarbon fractions isolated from Green River and Messel oil shales. Almost all of the steranes and triterpanes identified previously in both shales were classified, in addition to a number of new components. The results indicate that classification of such alkanes is possible with a laboratory computer system. The method has application to diagenesis and maturation studies as well as to oil/oil and oil/source rock correlations in which rapid screening of large numbers of samples is required.

Wardroper, A. M. K.↗
DOE OSTI2024

Multiphysics Degradation Modeling of Energy Storage Materials via RKPM with a Neural Network-Enhancement

In energy storage materials, strong electrochemical-mechanical coupling and highly anisotropic material properties contribute to the formation and propagation of micro-cracking during charge/discharge cycling, resulting in reduced performance and service life. A coupled electro-chemo-mechanical reproducing kernel particle method (RKPM) formulation is developed, and a patch-test is formulated to certify optimal convergence of the proposed RKPM method for the coupled physics system. With microstructural images supplied by the National Renewable Energy Laboratory (NREL), pixel-based model construction by RKPM is then used to represent the complex material microstructures for modeling the coupled physics of these systems. Further, a neural network-enhanced reproducing kernel particle method (NN-RKPM) [1, 2] is introduced to effectively model damage and crack propagation in the material microstructures; the location, orientation, and solution transition near a localization are automatically captured by superimposed block-level NN optimizations. This NN enrichment approach allows for effective modeling of localizations via a fixed background discretization, relieving tedious efforts for adaptive refinement in traditional mesh-based methods. Applications to the heterogeneous microstructures of Li-ion battery cathodes will be presented to demonstrate the effectiveness of the proposed methods. Reference: [1] Baek, J., Chen, J. S., Susuki, K., "Neural Network enhanced Reproducing Kernel Particle Method for Modeling Localizations," International Journal for Numerical Methods in Engineering, Vol. 123, pp 4422-4454, https://doi.org/10.1002/nme.7040, 2022. [2] Baek, J., Chen, J. S., "A Neural Network-Based Enrichment of Reproducing Kernel Approximation for Modeling Brittle Fracture", Computer Methods in Applied Mechanics and Engineering Vol. 410, 116590, 2024.

electro-chemo-mechanical coupling↗
NASA NTRS1989

A procedure for computing surface wave trajectories on an inhomogeneous surface

Equations are derived for computing surface waves on smooth surfaces, including surfaces with a nonuniform wave speed. The prior literature dealt primarily with the theoretical development with little consideration given to computational methods, and examples were limited to waves on surfaces of simple analytic description, such as cones, spheres, and cylinders. The computational procedure presented is a relatively general method. Sample calculations illustrate the procedure for a class of practical shapes of the type that include aerodynamic and hydrodynamic surfaces. Equations are also included for computing the spreading of rays into a surrounding medium that will support waves.

Barger, Raymond L.↗
DOE OSTI2020

Modeling Nondestructive Defect Detection in Additively Manufactured Metallic Structures for Nuclear Applications

The future of quickly, economically produced metallic nuclear reactor parts with minimal supply-chain dependence lies in Laser Powder Bed Fusion (LPBF) Additive Manufacturing (AM): a 3D printing method involving laser melting and net shaping stainless steel and Inconel metallic powder into a solid structure. However, intrinsic features in LPBF frequently leads to the formation of materials defects, such as pores, within 3D printed structures. As safe long-term use in energy applications requires knowledge of all relevant defects before deployment in a reactor, we must develop methods for nondestructive detection of these defects. We are investigating Pulsed Thermal Tomography (PTT), which is a non-contact nondestructive imaging method scalable to arbitrary structure size. Thermal tomography (TT) is a computational method for 3D spatial reconstruction of material thermal effusivity from flash or pulsed thermography temperature data cube. Thermography data cube consists of 2D surface temperature measurements at different times. The objective of the present work is to investigate limits on defect detection in AM metallic structures with PTT. To this effect, we modeled PTT with COMSOL heat transfer computer simulations. We developed a layered media COMSOL simulation consisting of a Stainless Steel 316 (SS316) plate with an internal layer of un-sintered SS316 powder. Thermophysical properties of the powder layer were modeled with equivalent volume mixing model. To account for partial sintering at the boundary of the defect, the transition between solid and powder layers was modeled as a Gaussian. Using data from COMSOL simulations, we reconstructed depth-dependent thermal effusivity, which allowed defect visibility estimation. A series of parametric studies determined that at 1mm depth, 50µm is the smallest detectable defect. In addition, classification of the defects which can lead to early fatigue of the metallic structure in a reactor is briefly discussed.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS1972

Relaxation techniques for three-dimensional transonic flow about wings.

A relaxation procedure has been developed to treat the three-dimensional, transonic small perturbation equations about finite lifting wings. A combination of two schemes is employed. For flow forward of the wing trailing edge the equations are written in terms of a velocity potential in order to minimize computer algebra and storage. For the remaining flow field the equations are written in terms of the velocity components in order to simplify the enforcement of the Kutta condition. Difference equations and relaxation procedures are described for both schemes. The computational method automatically captures the imbedded shock wave in the three-dimensional flow field. Computed results are given and compared to experiment and other inviscid methods.

Bailey, F. R.↗
DOE OSTI2024

Optimal experimental design: Formulations and computations

Questions of ‘how best to acquire data’ are essential to modelling and prediction in the natural and social sciences, engineering applications, and beyond. Optimal experimental design (OED) formalizes these questions and creates computational methods to answer them. This article presents a systematic survey of modern OED, from its foundations in classical design theory to current research involving OED for complex models. We begin by reviewing criteria used to formulate an OED problem and thus to encode the goal of performing an experiment. We emphasize the flexibility of the Bayesian and decision-theoretic approach, which encompasses information-based criteria that are well-suited to nonlinear and non-Gaussian statistical models. We then discuss methods for estimating or bounding the values of these design criteria; this endeavour can be quite challenging due to strong nonlinearities, high parameter dimension, large per-sample costs, or settings where the model is implicit. A complementary set of computational issues involves optimization methods used to find a design; we discuss such methods in the discrete (combinatorial) setting of observation selection and in settings where an exact design can be continuously parametrized. Finally we present emerging methods for sequential OED that build non-myopic design policies, rather than explicit designs; these methods naturally adapt to the outcomes of past experiments in proposing new experiments, while seeking coordination among all experiments to be performed. Throughout, we highlight important open questions and challenges.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1981

Some aspects of calculating flows about three-dimensional subsonic inlets

As a consequence of the growing interest in the development of V/STOL aircraft technology, efforts are being made to create new designs for a propulsion system which can be operated over a wide range of flight speeds, incidence angles, and throttle settings. In connection with these efforts, various inlet configurations have been proposed. The high experimental costs incurred in the study of various inlet geometries, led to the employment of a computational method for the investigation of inlets. Attention is given to the computer program, paneling and surface static pressure, surface flow pattern, and the inlet flow field. The reported investigation demonstrates that useful information for initial screenings may be obtained from potential flow calculations.

Kao, H. C.↗
NASA NTRS1986

Partial and Interaction Spline Models for the Semiparametric Estimation of Functions of Several Variables

A partial spline model is a model for a response as a function of several variables, which is the sum of a smooth function of several variables and a parametric function of the same plus possibly some other variables. Partial spline models in one and several variables, with direct and indirect data, with Gaussian errors and as an extension of GLIM to partially penalized GLIM models are described. Application to the modeling of change of regime in several variables is described. Interaction splines are introduced and described and their potential use for modeling non-linear interactions between variables by semiparametric methods is noted. Reference is made to recent work in efficient computational methods.

Wahba, Grace↗
NASA NTRS1989

Aerodynamics of high-lift, low-aspect-ratio unswept wings

It is presently demonstrated that highly cambered, low aspect ratio airfoil configurations can be neither experimentally nor numerically developed on the basis of two-dimensional methods; the strong dependency of airfoil shape on aspect ratio requires the definition of a planform to be conducted first, in order to serve as input for three-dimensional optimization methods. It is found that even the simplified three-dimensional computational method presently employed can accelerate a multielement-airfoil wing development.

Katz, Joseph↗
NASA NTRS1990

Advances and trends in computational structures technology

The major goals of computational structures technology (CST) are outlined, and recent advances in CST are examined. These include computational material modeling, stochastic-based modeling, computational methods for articulated structural dynamics, strategies and numerical algorithms for new computing systems, multidisciplinary analysis and optimization. The role of CST in the future development of structures technology and the multidisciplinary design of future flight vehicles is addressed, and the future directions of CST research in the prediction of failures of structural components, the solution of large-scale structural problems, and quality assessment and control of numerical simulations are discussed.

Noor, A. K.↗
NASA NTRS1992

Comparison of general circulation models to Earth Radiation Budget Experiment data - Computation of clear-sky fluxes

A clear-sky flux computation method is described which is representative of the Earth Radiation Budget Experiment data processing, while at the same time being enough straightforward for implementation in a general circulation model (GCM). The method is a hybrid version of Cess and Potter (1987) Method I and Method II clear-sky top-of-the-atmosphere flux computations for GCMs. The procedure is demonstrated using the ECMWF GCM.

Cess, Robert D.↗
NASA NTRSDate not supplied

The Calculation of Diffusion Properties for Open Shell Molecules

- Navier-Stokes requires as input various collision integrals for gases - Diffusion, - Viscosity - Thermal conductivity - Thermal diffusion ... - Levin, Stallcop and Partridge state-of-the-art - Non-Relativistic Born-Oppenheimer Approximation (freeze nuclei first, let them move second) - Solve electron problem: Compute realistic Potential Curves (PC) from first principles, - Solve nuclei problem: Compute scattering properties for each PC using sophisticated semi-classical method - Compute cross sections - Compute appropriate thermal collision integrals

STMD↗
NASA NTRS1995

Implicit method for the computation of unsteady flows on unstructured grids

An implicit method for the computation of unsteady flows on unstructured grids is presented. Following a finite difference approximation for the time derivative, the resulting nonlinear system of equations is solved at each time step by using an agglomeration multigrid procedure. The method allows for arbitrarily large time steps and is efficient in terms of computational effort and storage. Inviscid and viscous unsteady flows are computed to validate the procedure. The issue of the mass matrix which arises with vertex-centered finite volume schemes is addressed. The present formulation allows the mass matrix to be inverted indirectly. A mesh point movement and reconnection procedure is described that allows the grids to evolve with the motion of bodies. As an example of flow over bodies in relative motion, flow over a multi-element airfoil system undergoing deployment is computed.

Venkatakrishnan, V.↗
NASA NTRS2008

Towards Verification of Unstructured-Grid Solvers

New methodology for verification of finite-volume computational methods using unstructured grids is presented. The discretization order properties are studied in computational windows, easily constructed within a collection of grids or a single grid. Tests are performed within each window and address a combination of problem-, solution-, and discretization/grid-related features affecting discretization error convergence. The windows can be adjusted to isolate particular elements of the computational scheme, such as the interior discretization, the boundary discretization, or singularities. Studies can use traditional grid-refinement computations within a fixed window or downscaling, a recently-introduced technique in which computations are made within windows contracting toward a focal point of interest. Grids within the windows are constrained to be consistently refined, allowing a meaningful assessment of asymptotic error convergence on unstructured grids. Demonstrations of the method are shown, including a comparative accuracy assessment of commonly-used schemes on general mixed grids and the identification of local accuracy deterioration at boundary intersections. Recommendations to enable attainment of design-order discretization errors for large-scale computational simulations are given.

Thomas, James L.↗
NASA NTRS1975

Method of representation of acoustic spectra and reflection corrections applied to externally blown flap noise

A computer method for obtaining a rational function representation of an acoustic spectrum and for correcting reflection effects is introduced. The functional representation provides a means of compact storage of data and the nucleus of the data analysis method. The method is applied to noise from a full-scale externally blown flap system with a quiet 6:1 bypass ratio turbofan engine and a three-flap wing section designed to simulate the take-off condition of a conceptual STOL aircraft.

Miles, J. H.↗