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Results for “explicit solution”

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 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
NASA NTRS1999

Long-Time Numerical Integration of the Three-Dimensional Wave Equation in the Vicinity of a Moving Source

We propose a family of algorithms for solving numerically a Cauchy problem for the three-dimensional wave equation. The sources that drive the equation (i.e., the right-hand side) are compactly supported in space for any given time; they, however, may actually move in space with a subsonic speed. The solution is calculated inside a finite domain (e.g., sphere) that also moves with a subsonic speed and always contains the support of the right-hand side. The algorithms employ a standard consistent and stable explicit finite-difference scheme for the wave equation. They allow one to calculate tile solution for arbitrarily long time intervals without error accumulation and with the fixed non-growing amount of tile CPU time and memory required for advancing one time step. The algorithms are inherently three-dimensional; they rely on the presence of lacunae in the solutions of the wave equation in oddly dimensional spaces. The methodology presented in the paper is, in fact, a building block for constructing the nonlocal highly accurate unsteady artificial boundary conditions to be used for the numerical simulation of waves propagating with finite speed over unbounded domains.

Ryabenkii, V. S.↗
NASA NTRS1998

A Novel Four-Node Quadrilateral Smoothing Element for Stress Enhancement and Error Estimation

A four-node, quadrilateral smoothing element is developed based upon a penalized-discrete-least-squares variational formulation. The smoothing methodology recovers C1-continuous stresses, thus enabling effective a posteriori error estimation and automatic adaptive mesh refinement. The element formulation is originated with a five-node macro-element configuration consisting of four triangular anisoparametric smoothing elements in a cross-diagonal pattern. This element pattern enables a convenient closed-form solution for the degrees of freedom of the interior node, resulting from enforcing explicitly a set of natural edge-wise penalty constraints. The degree-of-freedom reduction scheme leads to a very efficient formulation of a four-node quadrilateral smoothing element without any compromise in robustness and accuracy of the smoothing analysis. The application examples include stress recovery and error estimation in adaptive mesh refinement solutions for an elasticity problem and an aerospace structural component.

Tessler, A.↗
DOE OSTI2023

Direct Extraction of Sodium Hydroxide by Calix[4]pyrrole-Based Ion-Pair Receptors

Here, described in this work, are calix[4]pyrrole-based ion-pair receptors, cis/trans-1 and cis/trans-2, designed for the extraction of sodium hydroxide. An X-ray diffraction analysis of a single crystal of the cis-1·NaOH isomer isolated from a mixture of cis/trans-1 revealed a unique dimeric supramolecular structure. An average dimer in toluene-d 8 solution was inferred on the basis of diffusion-ordered spectroscopy (DOSY). Support for the proposed stoichiometry came from density functional theory (DFT) calculations. The structural stability of the dimeric cis-1·NaOH complex in toluene solution was further confirmed by ab initio molecular dynamics (AIMD) simulation with explicit representation of solvent. Under conditions of liquid–liquid extraction (LLE), purified receptors cis- and trans-2 were both found to remove NaOH from a pH 11.01 aqueous source phase into toluene with extraction efficiencies (E%) of 50–60% when used equimolar to NaOH. However, in all cases, precipitation was observed. Complexities associated with precipitation could be avoided by immobilization of the receptors onto a chemically inert poly(styrene) resin by means of solvent impregnation. The use of solvent-impregnated resins (SIRs) eliminated precipitation in solution while retaining the extraction efficiency toward NaOH. This allowed both the pH and salinity of the alkaline source phase to be lowered.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1979

State and model error estimation for distributed parameter systems

In-flight estimation of large structure model errors in order to detect inevitable deficiencies in large structure controller/estimator models is discussed. Such an estimation process is particularly applicable in the area of shape control system design required to maintain a prescribed static structural shape and, in addition, suppress dynamic disturbances due to the vehicle vibrational modes. The paper outlines a solution to the problem of static shape estimation where the vehicle shape must be reconstructed from a set of measurements discretely located throughout the structure. The estimation process is based on the principle of least-squares that inherently contains the definition and explicit computation of model error estimates that are optimal in some sense. Consequently, a solution is provided for the problem of estimation of static model errors (e.g., external loads). A generalized formulation applicable to distributed parameters systems is first worked out and then applied to a one-dimensional beam-like structural configuration.

Rodriguez, G.↗
NASA NTRS1983

Accelerating an iterative process by explicit annihilation

A slowly convergent stationary iterative process can be accelerated by explicitly annihilating (i.e., eliminating) the dominant eigenvector component of the error. The dominant eigenvalue or complex pair of eigenvalues can be estimated from the solution during the iteration. The corresponding eigenvector or complex pair of eigenvectors can then be annihilated by applying an explicit Richardson process over the basic iterative method. This can be done entirely in real arithmetic by analytically combining the complex conjugate annihilation steps. The technique is applied to an implicit algorithm for the calculation of two dimensional steady transonic flow over a circular cylinder using the equations of compressible inviscid gas dynamics. This demonstrates the use of explicit annihilation on a nonlinear problem.

Jespersen, D. C.↗
NASA NTRS1985

Accelerating an iterative process by explicit annihilation

A slowly convergent stationary iterative process can be accelerated by explicitly annihilating (i.e., eliminating) the dominant eigenvector component of the error. The dominant eigenvalue or complex pair of eigenvalues can be estimated from the solution during the iteration. The corresponding eigenvector or complex pair of eigenvectors can then be annihilated by applying an explicit Richardson process over the basic iterative method. This can be done entirely in real arithmetic by analytically combining the complex conjugate annihilation steps. The technique is applied to an implicit algorithm for the calculation of two dimensional steady transonic flow over a circular cylinder using the equations of compressible inviscid gas dynamics. This demonstrates the use of explicit annihilation on a nonlinear problem.

Jespersen, D. C.↗
NASA NTRS1992

The Osher scheme for non-equilibrium reacting flows

An extension of the Osher upwind scheme to nonequilibrium reacting flows is presented. Owing to the presence of source terms, the Riemann problem is no longer self-similar and therefore its approximate solution becomes tedious. With simplicity in mind, a linearized approach which avoids an iterative solution is used to define the intermediate states and sonic points. The source terms are treated explicitly. Numerical computations are presented to demonstrate the feasibility, efficiency and accuracy of the proposed method. The test problems include a ZND (Zeldovich-Neumann-Doring) detonation problem for which spurious numerical solutions which propagate at mesh speed have been observed on coarse grids. With the present method, a change of limiter causes the solution to change from the physically correct CJ detonation solution to the spurious weak detonation solution.

Suresh, Ambady↗
NASA NTRS1972

On the numerical solution of two-dimensional, laminar compressible flows with imbedded shock waves.

The complete, time-dependent Navier-Stokes equations are expressed in conservation form and solved by employing an explicit finite difference numerical technique which incorporates artificial viscosity terms of the form first suggested by Rusanov for numerical stability in the vicinity of shock waves. Surface boundary conditions are developed in a consistent and unique manner through the use of a physically oriented extrapolation procedure. From numerical experimentation an extended range for the explicit stability parameter is established. Also employed is an additional convergence parameter which relates incremental spatial steps. Convergence of the transient solution to a steady state flow was obtained after 400 to 500 time steps.

Goodrich, W. D.↗
NASA NTRS1995

Convergence properties of finite-difference hydrodynamics schemes in the presence of shocks

We investigate the asymptotic convergence of finite-difference schemes for the Euler equations when the limiting solution contains shocks. The Lax-Wendroff theorem guarantees that certain conservative schemes converge to correct, physically valid solutions. We focus on two one-dimensional operator-split schemes with explicit artificial-viscosity terms. One, an internal-energy scheme, does not satisfy the assumptions of Lax-Wendroff; the other, a conservative total-energy scheme, does. With viscous lengths chosen proportional to the grid size, we find that both schemes converge to their zero-grid-size limits at the theoretically expected rate, but only the conversative scheme converges toward correct solutions of the inviscid fluid equations. We show that the difference in their behaviors results directly from the presence of shocks in the limiting solution. Empirically, we find that when the viscous lenghts tend toward zero more slowly than the grid size, however the nonconservative scheme also converges toward correct solutions. We characterize the asymptotic behavior of the total-energy scheme in a particular problem in which a shock forms. As the grid is refined, a Cauchy error approaches the expected rate of change slowly. We show that the changes in the artificial viscosity alter the diffusion of small-amplitude waves. The differences associated with such waves make the dominant contribution to the Cauchy error. We formulate an analytic model to relate the rate of approach to the effect of varying diffusion in waves and find quantitative agreement with our numerical results.

Kimoto, Paul A.↗
NASA NTRS1990

Finding curvilinear features in speckled images

A method for finding curves in digital images with speckle noise is described. The solution method differs from standard linear convolutions followed by thresholds in that it explicitly allows curvature in the features. Maximum a posteriori (MAP) estimation is used, together with statistical models for the speckle noise and for the curve-generation process, to find the most probable estimate of the feature, given the image data. The estimation process is first described in general terms. Then, incorporation of the specific neighborhood system and a multiplicative noise model for speckle allows derivation of the solution, using dynamic programming, of the estimation problem. The detection of curvilinear features is considered separately. The detection results allow the determination of the minimal size of detectable feature. Finally, the estimation of linear features, followed by a detection step, is shown for computer-simulated images and for a SAR image of sea ice.

Samadani, Ramin↗
DOE OSTI2023

Number of sites-based solver for determining coverages from steady-state mean-field micro-kinetic models

Kinetic models parameterized by ab-initio calculations have led to significant improvements in understanding chemical reactions in heterogeneous catalysis. These studies have been facilitated by implementations which determine steady-state coverages and rates of mean-field micro-kinetic models. As implemented in the open-source kinetic modeling program, CatMAP, the conventional solution strategy is to use a root-finding algorithm to determine the coverage of all intermediates through the steady-state expressions, constraining all coverages to be non-negative and to properly sum to unity. Though intuitive, this root-finding strategy causes issues with convergence to solution due to these imposed constraints. In this work, we avoid explicitly imposing these constraints, solving the mean-field steady-state micro-kinetic model in the space of number of sites instead of solving it in the space of coverages. Here, we transform the constrained root-finding problem to an unconstrained least-squares minimization problem, leading to significantly improved convergence in solving micro-kinetic models and thus enabling the efficient study of more complex catalytic reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Decoding the Effect of Anion Identity on the Solubility of N -(2-(2-Methoxyethoxy)ethyl)phenothiazine (MEEPT)

Variations in the solubility of redox-active organic molecules (ROM) of interest for nonaqueous redox flow batteries (RFB), especially as the ROM state-of-charge changes during charge-discharge cycling, present significant molecular design challenges. The situation is further complicated as ROM solubility can be regulated by the choice of electrolyte salt and solvent that together with the ROM comprise the catholyte or anolyte (redox electrolyte) formulation, presenting materials design challenges. The ROM N-(2-(2-methoxyethoxy)ethyl)phenothiazine (MEEPT) is a viscous liquid at room temperature and is miscible in several organic solvents, including acetonitrile and propylene carbonate. The MEEPT radical cation (MEEPT +· ) paired with tetrafluoroborate (BF 4 - ) in acetonitrile presents a 0.5 M solubility, a dramatic decrease when compared to the viscous liquid of neutral MEEPT. Here, in this study, we present a joint experimental, regression modeling, and molecular dynamics (MD) simulations investigation to explore MEEPT-X (where X represents the counteranion) salt solubility variability as a function of concentration and counteranion chemistry in acetonitrile. We find a strong dependence of the salt solubility on the counteranion and relate these findings to explicit intermolecular interactions between MEEPT +· and the counteranion in the electrolyte solution.

Perera, Anton S. [Univ. of Kentucky, Lexington, KY↗
DOE OSTI2025

The Stochastic Gause Predator-Prey model: Noise-induced extinctions and invariance

We consider the Gause predator-prey with general bounded or sub‑linear functional responses, – which includes those of Holling types Ⅰ–Ⅳ. – and multiplicative Gaussian noise. In contrast to previous studies, the prey in our model follows logistic dynamics while the predator's population is solely regulated by consumption of the prey. To ensure well-posedeness, we derive explicit Lyapunov‐type criteria ensuring global positivity and moment boundedness of solutions. We find conditions for noise‑induced extinctions, proving that stochasticity can drive either population to collapse even when the deterministic analogue predicts stable coexistence. In the case when the predator becomes extinct, we establish a limiting distribution for the predator's population. Last, for functional responses of Holling type Ⅰ, we provide sufficient conditions on the intensity of the noise for the existence and uniqueness of a stationary distribution.

Gause model↗
NASA NTRS1980

Supersonic flow over three-dimensional ablated nosetips using an unsteady implicit numerical procedure

The three-dimensional supersonic flow over passive, that is, nonablating, indented nosetips of reentry vehicles is determined using an unsteady implicit numerical algorithm which solves either the inviscid Euler equations or the 'thin-layer' Navier-Stokes equations. A nonorthogonal independent variable transformation is used to map the distorted physical domain, containing multiple zones of embedded subsonic flow and separated flow regions into a rectangular computational volume at whose boundaries the required permeable or impermeable boundary conditions are simulated. Use of the implicit algorithm results in faster convergence to the steady state because of a larger allowable time step over conventional explicit schemes. The numerical results obtained compare favorably with existing numerical solutions and experimental data for simple spheres which validates the program. Results are also presented for analytically defined indented bodies for both laminar and turbulent flow conditions that demonstrate the program's capability for computing such flows.

Kutler, P.↗
NASA NTRS1984

Investigation of the three-dimensional flow field within a transonic fan rotor: Experiment and analysis

An experimental investigation of the three dimensional flow field through a low aspect ratio, transonic, axial flow fan rotor has been conducted using an advanced laser anemometer (LA) system. Laser velocimeter measurements of the rotor flow field at the design operating speed and over a range of through flow conditions are compared to analytical solutions. The numerical technique used herein yields the solution to the full, three dimensional, unsteady Euler equations using an explicit time marching, finite volume approach. The numerical analysis, when coupled with a simplified boundary layer calculation, generally yields good agreement with the experimental data. The test rotor has an aspect ratio of 1.56, a design total pressure ratio of 1.629 and a tip relative Mach number of 1.38. The high spatial resolution of the LA data matrix (9 radial by 30 axial by 50 blade to blade) permits details of the transonic flow field such as shock location, turning distribution and blade loading levels to be investigated and compared to analytical results.

Pierzga, M. J.↗
NASA NTRS1986

Exogenic and endogenic albedo and color patterns on Europa

New global and high-resolution multispectral mosaics of Europa have been produced from the Voyager imaging data. Photometric normalizations are based on multiple-image techniques that explicitly account for intrinsic albedo variations through pixel-by-pixel solutions. The exogenic color and albedo pattern on Europa is described by a second-order function of the cosine of the angular distance from the apex of orbital motion. On the basis of this second-order function and of color trends that are different on the leading and trailing hemispheres, the exogenic pattern is interpreted as being due to equilibrium between two dominant processes: (1) impact gardening and (2) magnetospheric interactions, including sulfur-ion implantation and sputtering redistribution. Removal of the model exogenic pattern in the mosaics reveals the endogenic variations, consisting of only two major units: darker (redder) and bright materials. Therefore Europa's visual spectral reflectivity is simple, having one continuous exogenic pattern and two discrete endogenic units.

Mcewen, A. S.↗
NASA NTRS1987

Navier-Stokes cascade analysis with a stiff Kappa-Epsilon turbulence solver

The two dimensional, compressible, thin layer Navier-Stokes equations with the Baldwin-Lomax turbulence model and the kinetic energy-energy dissipation (k-epsilon) model are solved numerically to simulate the flow through a cascade. The governing equations are solved for the entire flow domain, without the boundary layer assumptions. The stiffness of the k-epsilon equations is discussed. A semi-implicit, Runge-Kutta, time-marching scheme is developed to solve the k-epsilon equations. The impact of the k-epsilon solver on the explicit Runge-Kutta Navier-Stokes solver is discussed. Numerical solutions are presented for two dimensional turbulent flow over a flat plate and a double circular arc cascade and compared with experimental data.

Liu, Jong-Shang↗
NASA NTRS1988

Navier-Stokes cascade analysis with a stiff k-epsilon turbulence solver

The two dimensional, compressible, thin layer Navier-Stokes equations with the Baldwin-Lomax turbulence model and the kinetic energy-energy dissipation (k-epsilon) model are solved numerically to simulate the flow through a cascade. The governing equations are solved for the entire flow domain, without the boundary layer assumptions. The stiffness of the k-epsilon equations is discussed. A semi-implicit, Runge-Kutta, time-marching scheme is developed to solve the k-epsilon equations. The impact of the k-epsilon solver on the explicit Runge-Kutta Navier-Stokes solver is discussed. Numerical solutions are presented for two dimensional turbulent flow over a flat plate and a double circular arc cascade and compared with experimental data.

Liu, Jong-Shang↗