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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

On random fuzzy fractional partial integro-differential equations under Caputo generalized Hukuhara differentiability

This paper is devoted to the study of the solvability of random fuzzy fractional partial integro-differential equations under Caputo generalized Hukuhara differentiability. The notions of random fuzzy variables and fuzzy stochastic processes are developed for multivariable functions. The existence and uniqueness of two types of integral solutions generated from Darboux problem for nonlinear wave equations are proved using the successive approximations method and Gronwall’s inequality for stochastic processes. The continuous dependence on the data, the boundedness, and the stability with probability one of integral solutions are established to confirm the well posedness of our model. Some computational examples are presented to illustrate the theoretical results.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1975

Correlation of boundary layer quantities for hypersonic laminar flows with zero pressure gradient for several gases

The laminar boundary layer has been theoretically studied for six gases for flows over cold walls with zero pressure gradient at Mach numbers between 5.5 and 12.5 to correlate boundary layer quantities for the various gases. The flow conditions considered correspond to those that can be generated in test facilities such as the shock tunnel and the expansion tube. Computed results obtained using real gas properties indicate that the Eckert number based on edge conditions serves to correlate the results in terms of the wall shear stress and enthalpy gradient, the Stanton number, and the momentum thickness for the various gases within plus or minus 10 per cent for Te = Tw and Te approximately 3Tw. Computed Reynolds analogy factors exhibit very good agreement with those predicted by the Colburn analogy. Velocity and displacement thicknesses correlate well with Eckert number for Te = Tw, but fail to correlate for Te approximately 3Tw. Differences in results are traced to property variations. Results show that the Eckert number is a significant correlating variable for the flows considered.

Cook, W. J.↗
NASA NTRS1987

Implementation and validation of a wake model for low-speed forward flight

The computer implementation and calculations of the induced velocities produced by a wake model consisting of a trailing vortex system defined from a prescribed time averaged downwash distribution are detailed. Induced velocities are computed by approximating each spiral turn by a pair of large straight vortex segments positioned at critical points relative to where the induced velocity is required. A remainder term for the rest of the spiral is added. This approach results in decreased computation time compared to classical models where each spiral turn is broken down in small straight vortex segments. The model includes features such a harmonic variation of circulation, downwash outside of the blade and/or outside the tip path plane, blade bound vorticity induced velocity with harmonic variation of circulation and time averaging. The influence of various options and parameters on the results are investigated and results are compared to experimental field measurements with which, a resonable agreement is obtained. The capabilities of the model as well as its extension possibilities are studied. The performance of the model in predicting the recently-acquired NASA Langley Inflow data base for a four-bladed rotor is compared to that of the Scully Free Wake code, a well-established program which requires much greater computational resources. It is found that the two codes predict the experimental data with essentially the same accuracy, and show the same trends.

Komerath, Narayanan M.↗
NASA NTRS1994

Parallel Preconditioning for CFD Problems on the CM-5

Up to today, preconditioning methods on massively parallel systems have faced a major difficulty. The most successful preconditioning methods in terms of accelerating the convergence of the iterative solver such as incomplete LU factorizations are notoriously difficult to implement on parallel machines for two reasons: (1) the actual computation of the preconditioner is not very floating-point intensive, but requires a large amount of unstructured communication, and (2) the application of the preconditioning matrix in the iteration phase (i.e. triangular solves) are difficult to parallelize because of the recursive nature of the computation. Here we present a new approach to preconditioning for very large, sparse, unsymmetric, linear systems, which avoids both difficulties. We explicitly compute an approximate inverse to our original matrix. This new preconditioning matrix can be applied most efficiently for iterative methods on massively parallel machines, since the preconditioning phase involves only a matrix-vector multiplication, with possibly a dense matrix. Furthermore the actual computation of the preconditioning matrix has natural parallelism. For a problem of size n, the preconditioning matrix can be computed by solving n independent small least squares problems. The algorithm and its implementation on the Connection Machine CM-5 are discussed in detail and supported by extensive timings obtained from real problem data.

Simon, Horst D.↗
NASA NTRS2003

Improved Collision-Detection Method for Robotic Manipulator

An improved method has been devised for the computational prediction of a collision between (1) a robotic manipulator and (2) another part of the robot or an external object in the vicinity of the robot. The method is intended to be used to test commanded manipulator trajectories in advance so that execution of the commands can be stopped before damage is done. The method involves utilization of both (1) mathematical models of the robot and its environment constructed manually prior to operation and (2) similar models constructed automatically from sensory data acquired during operation. The representation of objects in this method is simpler and more efficient (with respect to both computation time and computer memory), relative to the representations used in most prior methods. The present method was developed especially for use on a robotic land vehicle (rover) equipped with a manipulator arm and a vision system that includes stereoscopic electronic cameras. In this method, objects are represented and collisions detected by use of a previously developed technique known in the art as the method of oriented bounding boxes (OBBs). As the name of this technique indicates, an object is represented approximately, for computational purposes, by a box that encloses its outer boundary. Because many parts of a robotic manipulator are cylindrical, the OBB method has been extended in this method to enable the approximate representation of cylindrical parts by use of octagonal or other multiple-OBB assemblies denoted oriented bounding prisms (OBPs), as in the example of Figure 1. Unlike prior methods, the OBB/OBP method does not require any divisions or transcendental functions; this feature leads to greater robustness and numerical accuracy. The OBB/OBP method was selected for incorporation into the present method because it offers the best compromise between accuracy on the one hand and computational efficiency (and thus computational speed) on the other hand.

Leger, Chris↗
NASA NTRS1977

An automated consultant for MACSYMA

A consultant is necessary whenever on is faced with a problem solving situation in a domain one does not fully understand. The lack of knowledge may be incidental, as it is when the domain or device is fairly simple but time constraints make it impossible for the user to learn all that is necessary. Computer systems like MACSYMA in which the level of commands is so close to the level of the task environment that the user is apt to confuse a simply defined procedure (like COEFF) with its mathematical counterpart (here coefficient) that it at best approximates. A computer program is described which has the capability of conversing with its user in English about a difficulty he has encountered, and providing information tailored to his need. The MACSYMA Advisor is a program distinct from MACSYMA with its own separate data base and expertise. For convenience the program can be called directly from MACSYMA and can access the user's data structures contained therein. The Advisor described here deals only with the "straightline" or nested use of MACSYMA commands and not loops or user-defined functions. The implementation of the Advisor relies heavily on an explict, internal "model" of the user's state of knowledge, his goals, and his "plan" for achieving them.

Genesereth, M. R.↗
DOE OSTI2018

Criteria for the Best Approximation by Simple Partial Fractions on Semi-Axis and Axis

We study uniform approximation of real-valued functions f, f(∞) = 0, on ℝ{sup +} and ℝ by real-valued simple partial fractions (the logarithmic derivatives of polynomials). We obtain a criterion for the best approximation on ℝ{sup +} and ℝ in terms of the Chebyshev alternance. This criterion is similar to the known criterion on finite segments. For the problem of approximating odd functions on ℝ we construct an alternance criterion with a weakened condition on the poles of fractions. We present a criterion for the best approximation by simple partial fractions on ℝ{sup +} and ℝ in terms of Kolmogorov. We prove analogs of the de la Vallee-Poussin alternation theorem.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Exploring numerical blow-up phenomena for the Keller–Segel–Navier–Stokes equations

The Keller–Segel–Navier–Stokes system governs chemotaxis in liquid environments. This system is to be solved for the organism and chemoattractant densities and for the fluid velocity and pressure. It is known that if the total initial organism density mass is below 2π there exist globally defined generalised solutions, but what is less understood is whether there are blow-up solutions beyond such a threshold and its optimality. Motivated by this issue, a numerical blow-up scenario is investigated. Approximate solutions computed via a stabilised finite element method founded on a shock capturing technique are such that they satisfy a priori bounds as well as lower and L 1 (Ω) bounds for the organism and chemoattractant densities. In particular, these latter properties are essential in detecting numerical blow-up configurations, since the non-satisfaction of these two requirements might trigger numerical oscillations leading to non-realistic finite-time collapses into persistent Dirac-type measures. Our findings show that the existence threshold value 2π encountered for the organism density mass may not be optimal and hence it is conjectured that the critical threshold value 4π may be inherited from the fluid-free Keller–Segel equations. Additionally it is observed that the formation of singular points can be neglected if the fluid flow is intensified.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2007

Algorithm Plans Collision-Free Path for Robotic Manipulator

An algorithm has been developed to enable a computer aboard a robot to autonomously plan the path of the manipulator arm of the robot to avoid collisions between the arm and any obstacle, which could be another part of the robot or an external object in the vicinity of the robot. In simplified terms, the algorithm generates trial path segments and tests each segment for potential collisions in an iterative process that ends when a sequence of collision-free segments reaches from the starting point to the destination. The main advantage of this algorithm, relative to prior such algorithms, is computational efficiency: the algorithm is designed to make minimal demands upon the limited computational resources available aboard a robot. This path-planning algorithm utilizes a modified version of the collision-detection method described in "Improved Collision-Detection Method for Robotic Manipulator" (NPO-30356), NASA Tech Briefs, Vol. 27, No. 3 (June 2003), page 72. The method involves utilization of mathematical models of the robot constructed prior to operation and similar models of external objects constructed automatically from sensory data acquired during operation. This method incorporates a previously developed method, known in the art as the method of oriented bounding boxes (OBBs), in which an object is represented approximately, for computational purposes, by a box that encloses its outer boundary. Because many parts of a robotic manipulator are cylindrical, the OBB method has been extended in this method to enable the approximate representation of cylindrical parts by use of octagonal or other multiple-OBB assemblies denoted oriented bounding prisms (OBPs). A multiresolution OBB/OBP representation of the robot and its manipulator arm and a multiresolution OBB representation of external objects (including terrain) are constructed and used in a process in which collisions at successively finer resolutions are detected through computational detection of overlaps between the corresponding OBB and OBP models. For computational efficiency, the process is started at the coarsest resolution and stopped as soon as possible, preferably before reaching the finest resolution. At the coarsest resolution, there is a single OBB enclosing all relevant external objects and a single OBB enclosing the entire robot. At the next finer level of resolution, the coarsest-resolution OBB is divided into two OBBs, and so forth. If no collision is detected at the coarsest resolution, then there is no need for further computation to detect collisions. If a collision is detected at the coarsest resolution, then tests for collisions are performed at the next finer level of resolution. This process is continued to successively finer resolutions until either no more collisions are detected or the finest resolution is reached.

Backes, Paul↗
DOE OSTI2022

The symmetric quasi-classical model using on-the-fly time-dependent density functional theory within the Tamm–Dancoff approximation

The primary computational challenge when simulating nonadiabatic ab initio molecular dynamics is the unfavourable compute costs of electronic structure calculations with molecular size. Simple electronic structure theories, like time-dependent density functional theory within the Tamm–Dancoff approximation (TDDFT/TDA), alleviate this cost for moderately sized molecular systems simulated on realistic time scales. Although TDDFT/TDA does have some limitations in accuracy, an appealing feature is that, in addition to including electron correlation through the use of a density functional, the cost of calculating analytic nuclear gradients and nonadiabatic coupling vectors is often computationally feasible even for moderately sized basis sets. Here in this work, some of the benefits and limitations of TDDFT/TDA are discussed and analysed with regard to its applicability as a ‘back-end’ electronic structure method for the symmetric quasi-classical Meyer–Miller model (SQC/MM). In order to investigate the benefits and limitations of TDDFT/TDA, SQC/MM is employed to predict and analyse a prototypical example of excited-state hydrogen transfer in gas-phase malonaldehyde. Then, the ring-opening dynamics of selenophene are simulated, which highlight some of the deficiencies of TDDFT/TDA. Additionally, some new algorithms are proposed that speed up the calculation of analytic nuclear gradients and nonadiabatic coupling vectors for a set of excited electronic states.

molecular dynamics↗
NASA NTRS2003

Atomistic Modeling of Nanostructures via the BFS Quantum Approximate Method

Ideally, computational modeling techniques for nanoscopic physics would be able to perform free of limitations on the type and number of elements, while providing comparable accuracy when dealing with bulk or surface problems. Computational efficiency is also desirable, if not mandatory, for properly dealing with the complexity of typical nano-strucured systems. A quantum approximate technique, the BFS method for alloys, which attempts to meet these demands, is introduced for the calculation of the energetics of nanostructures. The versatility of the technique is demonstrated through analysis of diverse systems, including multi-phase precipitation in a five element Ni-Al-Ti-Cr-Cu alloy and the formation of mixed composition Co-Cu islands on a metallic Cu(III) substrate.

Bozzolo, Guillermo↗
NASA NTRS2012

Efficient Implementation of the Invariant Imbedding T-Matrix Method and the Separation of Variables Method Applied to Large Nonspherical Inhomogeneous Particles

Three terms, ''Waterman's T-matrix method'', ''extended boundary condition method (EBCM)'', and ''null field method'', have been interchangeable in the literature to indicate a method based on surface integral equations to calculate the T-matrix. Unlike the previous method, the invariant imbedding method (IIM) calculates the T-matrix by the use of a volume integral equation. In addition, the standard separation of variables method (SOV) can be applied to compute the T-matrix of a sphere centered at the origin of the coordinate system and having a maximal radius such that the sphere remains inscribed within a nonspherical particle. This study explores the feasibility of a numerical combination of the IIM and the SOV, hereafter referred to as the IIMþSOV method, for computing the single-scattering properties of nonspherical dielectric particles, which are, in general, inhomogeneous. The IIMþSOV method is shown to be capable of solving light-scattering problems for large nonspherical particles where the standard EBCM fails to converge. The IIMþSOV method is flexible and applicable to inhomogeneous particles and aggregated nonspherical particles (overlapped circumscribed spheres) representing a challenge to the standard superposition T-matrix method. The IIMþSOV computational program, developed in this study, is validated against EBCM simulated spheroid and cylinder cases with excellent numerical agreement (up to four decimal places). In addition, solutions for cylinders with large aspect ratios, inhomogeneous particles, and two-particle systems are compared with results from discrete dipole approximation (DDA) computations, and comparisons with the improved geometric-optics method (IGOM) are found to be quite encouraging.

Invariant imbedding method↗
DOE OSTI2018

Runge–Kutta method for solving fuzzy differential equations under generalized differentiability

In this paper, we interpret a fuzzy differential equation by using the strongly generalized differentiability concept. Utilizing the Generalized Characterization Theorem, we investigate the problem of finding a numerical approximation of solutions. The Runge–Kutta approximation method is implemented and its error analysis, which guarantees pointwise convergence, is given. The method applicability is illustrated by solving a linear first-order fuzzy differential equation.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Fracture-based shape optimization built upon the topological derivative

In Silva et al. (2011) and Alidoost et al. (2020), the authors developed an approximation of the energy release rate field associated with a small edge or surface crack at any boundary location and with any orientation using the topological derivative. The approximation is computationally attractive because it requires only a single analysis on the non-cracked domain in contrast with conventional boundary-element and finite-element-based methods, which require a separate and costlier analysis for each crack length-location-orientation combination. Here, a shape optimization scheme for fracture-resistant structures is developed using the energy release rate approximation. In the gradient-based optimization scheme, the domain and its boundary are defined implicitly using level-set functions. The level-set functions of arbitrary geometries are constructed using Boolean operations from the level-set functions of simple primitives. This geometrical representation has the dual advantage of (i) allowing shapes to intersect and/or separate during the optimization and (ii) simplifying the computation of the shape sensitivities.

42 ENGINEERING↗
NASA NTRS2002

Error Estimation and Uncertainty Propagation in Computational Fluid Mechanics

Numerical simulation has now become an integral part of engineering design process. Critical design decisions are routinely made based on the simulation results and conclusions. Verification and validation of the reliability of the numerical simulation is therefore vitally important in the engineering design processes. We propose to develop theories and methodologies that can automatically provide quantitative information about the reliability of the numerical simulation by estimating numerical approximation error, computational model induced errors and the uncertainties contained in the mathematical models so that the reliability of the numerical simulation can be verified and validated. We also propose to develop and implement methodologies and techniques that can control the error and uncertainty during the numerical simulation so that the reliability of the numerical simulation can be improved.

Zhu, J. Z.↗
DOE OSTI2019

A Fast All-sky Radiation Model for Solar applications with Narrowband Irradiances on Tilted surfaces (FARMS-NIT): Part II. The cloudy-sky model

The Fast All-sky Radiation Model for Solar applications with Narrowband Irradiances on Tilted surfaces (FARMS-NIT) reported in Part I of this report is enhanced to include the requirements for cloudy-sky conditions. Surface radiances in 2002 narrow-wavelength bands from 0.28 to 4.0 um are analytically computed by solving the radiative transfer equation for five independent photon paths accounting for clear-sky absorption, Rayleigh scattering, and cloud absorption and scattering. The Simple Model of the Atmospheric Radiative Transfer of Sunshine (SMARTS) is used to show the optical thickness of the clear-sky atmosphere. Unlike Part I, which approximates the computation of aerosol scattering using the single-scattering phase function, the cloud transmittance and reflectance are efficiently retrieved from a comprehensive look-up table pre-computed by a 32-stream DIScrete Ordinates Radiative Transfer (DISORT) model for possible cloud conditions as well as solar and viewing geometries. A resolution assessment is performed to observe the optimal balance between the computational efficiency and accuracy in the development of the look-up table. Model simulations by DISORT and TMYSPEC are used to evaluate the performance of FARMS-NIT under cloudy-sky conditions. Compared to DISORT, FARMS-NIT yields 2-3% uncertainties on average, but it substantially reduces the computational time because of the independent computation of cloud properties and the implementation of the look-up table. In contrast to TMYSPEC, which uses successive steps to empirically compute plane-of-array (POA) irradiances and spectral irradiances, FARMS-NIT directly solves spectral radiances from the radiative transfer equation, which profoundly increases the accuracy in surface irradiances, especially over inclined photovoltaics (PV) panels.

14 SOLAR ENERGY↗
DOE OSTI2020

Global description of $β$ – decay with the axially deformed Skyrme finite-amplitude method: Extension to odd-mass and odd-odd nuclei

Here we use the finite-amplitude method (FAM), an efficient implementation of the quasiparticle random phase approximation, to compute $β$-decay rates with Skyrme energy-density functionals for 3983 nuclei, essentially all the medium-mass and heavy isotopes on the neutron-rich side of stability. We employ an extension of the FAM that treats odd-mass and odd-odd nuclear ground states in the equal filling approximation. Our rates are in reasonable agreement both with experimental data where available and with rates from other global calculations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗