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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 1,261 records · Page 70
All sourcesNASA NTRSDOE OSTI
NASA NTRS1987

Numerical simulation of homogeneous, isotropic, compressible turbulence

A new numerical algorithm is developed and applied to the direct simulation of compressible, homogeneous turbulent flows at low Mach numbers. A split method in time first solves a subset of the equations explicitly, followed by an implicit treatment of the pressure terms. The definition of an average sound speed over the entire field allows the implicit equations to be solved analytically, while relaxing the severe time limit imposed by the large sound speeds. Results from direct simulations on 96(3) grids provide a data base against which a new subgrid-scale model for compressible homogeneous turbulence is tested. This model reduces to the linear combination model in the absence of compressibility.

Erlebacher, G.↗
NASA NTRS1989

Multigrid solution of the Navier-Stokes equations on triangular meshes

A new Navier-Stokes algorithm for use on unstructured triangular meshes is presented. Spatial discretization of the governing equations is achieved using a finite-element Galerkin approximation, which can be shown to be equivalent to a finite-volume approximation for regular equilateral triangular meshes. Integration to steady-state is performed using a multistage time-stepping scheme, and convergence is accelerated by means of implicit residual smoothing and an unstructured multigrid algorithm. The convergence efficiency of the present method is shown to be competitive with those demonstrated by structured quadrilateral-mesh algorithms.

Mavriplis, D. J.↗
NASA NTRS1990

A circular median filter approach for resolving directional ambiguities in wind fields retrieved from spaceborne scatterometer data

The retrieval algorithm for spaceborne scatterometry proposed by Schultz (1985) is extended. A circular median filter (CMF) method is presented, which operates on wind directions independently of wind speed, removing any implicit wind speed dependence. A cell weighting scheme is included in the algorithm, permitting greater weights to be assigned to more reliable data. The mathematical properties of the ambiguous solutions to the wind retrieval problem are reviewed. The CMF algorithm is tested on twelve simulated data sets. The effects of spatially correlated likelihood assignment errors on the performance of the CMF algorithm are examined. Also, consideration is given to a wind field smoothing technique that uses a CMF.

Schultz, Howard↗
NASA NTRS1991

Finite element computation of compressible flows with the SUPG formulation

Finite element computation of compressible Euler equations is presented in the context of the streamline-upwind/Petrov-Galerkin (SUPG) formulation. The SUPG formulation, which is based on adding stabilizing terms to the Galerkin formulation, is further supplemented with a shock capturing operator which addresses the difficulty in maintaining a satisfactory solution near discontinuities in the solution field. The shock capturing operator, which has been derived from work done in entropy variables for a similar operator, is shown to lead to an appropriate level of additional stabilization near shocks, without resulting in excessive numerical diffusion. An implicit treatment of the impermeable wall boundary condition is also presented. This treatment of the no-penetration condition offers increased stability for large Courant numbers, and accelerated convergence of the computations for both implicit and explicit applications. Several examples are presented to demonstrate the ability of this method to solve the equations governing compressible fluid flow.

Le Beau, G. J.↗
NASA NTRS1996

The study of flow pattern and phase-change problem in die casting process

The flow pattern and solidification phenomena in die casting process have been investigated in the first phase study. The flow pattern in filling process is predicted by using a VOF (volume of fluid) method. A good agreement with experimental observation is obtained for filling the water into a die cavity with different gate geometry and with an obstacle in the cavity. An enthalpy method has been applied to solve the solidification problem. By treating the latent heat implicitly into the enthalpy instead of explicitly into the source term, the CPU time can be reduced at least 20 times. The effect of material properties on solidification fronts is tested. It concludes that the dependence of properties on temperature is significant. The influence of the natural convection over the diffusion has also been studied. The result shows that the liquid metal solidification phenomena is diffusion dominant, and the natural convection can affect the shape of the interface. In the second phase study, the filling and solidification processes will be considered simultaneously.

Wang, T. S.↗
NASA NTRS1996

The Mass of Large Impactors

By means of a simplified dynamical model, we have computed the eccentricity change in the orbit of each giant planet, caused by a single, large impact at the end of the accretion process. In order to set an upper bound on this eccentricity change, we have considered the giant planets' present eccentricities as primordial ones. By means of this procedure, we were able to obtain an implicit relation for the impactor masses and maximum velocities. We have estimated by this method the maximum allowed mass to impact Jupiter to be approx. 1.136 x 10(exp -1), being in the case of Neptune approx. 3.99 x 10(exp -2) (expressed in units of each planet final mass). Due to the similar present eccentricities of Saturn, Uranus and Jupiter, the constraint masses and velocities of the bodies to impact them (in units of each planet final mass and velocity respectively) are almost the same for the three planets. These results are in good agreement with those obtained by Lissauer and Safronov. These bounds might be used to derive the mass distribution of planetesimals in the early solar system.

Parisi, M. G.↗
DOE OSTI2015

A coupled ordinates method for solution acceleration of rarefied gas dynamics simulations

Non-equilibrium rarefied flows are frequently encountered in a wide range of applications, including atmospheric re-entry vehicles, vacuum technology, and microscale devices. Rarefied flows at the microscale can be effectively modeled using the ellipsoidal statistical Bhatnagar–Gross–Krook (ESBGK) form of the Boltzmann kinetic equation. Numerical solutions of these equations are often based on the finite volume method (FVM) in physical space and the discrete ordinates method in velocity space. However, existing solvers use a sequential solution procedure wherein the velocity distribution functions are implicitly coupled in physical space, but are solved sequentially in velocity space. This leads to explicit coupling of the distribution function values in velocity space and slows down convergence in systems with low Knudsen numbers. Furthermore, this also makes it difficult to solve multiscale problems or problems in which there is a large range of Knudsen numbers. In this paper, we extend the coupled ordinates method (COMET), previously developed to study participating radiative heat transfer, to solve the ESBGK equations. In this method, at each cell in the physical domain, distribution function values for all velocity ordinates are solved simultaneously. This coupled solution is used as a relaxation sweep in a geometric multigrid method in the spatial domain. Enhancements to COMET to account for the non-linearity of the ESBGK equations, as well as the coupled implementation of boundary conditions, are presented. The methodology works well with arbitrary convex polyhedral meshes, and is shown to give significantly faster solutions than the conventional sequential solution procedure. Acceleration factors of 5–9 are obtained for low to moderate Knudsen numbers on single processor platforms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1983

Solution of Poisson equations for 3-dimensional grid generations

A method for generating three dimensional, finite difference grids about complicated geometries by using Poisson equations is developed. The inhomogenous terms are automatically chosen such that orthogonality and spacing restrictions at the body surface are satisfied. Spherical variables are used to avoid the axis singularity, and an alternating-direction-implicit (ADI) solution scheme is used to accelerate the computations. Computed results are presented that show the capability of the method. Since most of the results presented have been used as grids for flow-field computations, this is indicative that the method is a useful tool for generating three-dimensional grids about complicated geometries.

Fujii, K.↗
NASA NTRS1981

Treatment of conical and nonconical supersonic flows by an implicit marching scheme applied to the full potential equation

An aerodynamic prediction technique based on the full potential equation in conservation form is developed for the treatment of supersonic flows. This technique bridges the gap between simplistic linear theory methods and complex Euler solvers. A novel local density linearization concept and a second order accurate retarded density scheme, both producing the correct artificial viscosity, are introduced in developing an implicit marching scheme for solving the scalar potential. Results for conical flows over delta wings and a wing-body combination and for non-conical flows over bodies of revolution at angles of attack are compared with Euler and nonconservative full potential calculations and experimental data. The present formulation requires an order of magnitude less computer time and significantly less computer memory over Euler codes and exhibits a considerable improvement in computational efficiency and generality over an existing nonconservative full potential code.

Shankar, V.↗
DOE OSTI2025

Forecasting Dark Matter Subhalo Constraints from Stellar Streams using Implicit Likelihood Inference

The evidence for dark matter (DM) remains compelling, although attempts to understand its particle nature remain inconclusive. One promising method to study DM is detecting DM subhalos through their gravitational interactions with stellar streams. In this study, we apply Neural Posterior Estimation (NPE) to constrain subhalo interaction parameters, including mass, scale radius, velocity, and encounter geometry, from stellar stream kinematics. We generate particle spray simulations based on the Lagrange Cloud stripping technique, focusing on the ATLAS-Aliqa Uma stream as a test case. We train multiple NPE models across multiple observational scenarios, quantifying how kinematic completeness affects inference and forecasting constraints from upcoming surveys including LSST, 4MOST, and 10-year Gaia data. Our results demonstrate that NPE can produce accurate and well-calibrated posteriors. In the idealized case with full 6D coordinates, we achieve subhalo mass uncertainties of 15-20% for a $10^7 \, \mathrm{M_\odot}$ subhalo, with 5D coordinates (excluding radial velocities) achieving similar performance. Under realistic observational conditions, mass uncertainties range from 50% (present-day) to 20-40% (future scenarios), with comparable performance between the photometric-only LSST sample and a smaller sample that includes Gaia proper motions and 4MOST radial velocities. Most notably, we find that velocity bimodality emerges when phase space is poorly sampled, whether due to missing kinematic information or limited stellar tracers. Combining large photometric samples with targeted spectroscopic follow-up can effectively resolves this degeneracy. These results demonstrate the power of implicit likelihood inference for optimizing stellar stream observational strategies and forecasting DM subhalo constraints from upcoming surveys.

Nguyen, Tri [Northwestern U. (main); SkAI, Chicago↗
NASA NTRS1994

A Navier-Strokes Chimera Code on the Connection Machine CM-5: Design and Performance

We have implemented a three-dimensional compressible Navier-Stokes code on the Connection Machine CM-5. The code is set up for implicit time-stepping on single or multiple structured grids. For multiple grids and geometrically complex problems, we follow the 'chimera' approach, where flow data on one zone is interpolated onto another in the region of overlap. We will describe our design philosophy and give some timing results for the current code. A parallel machine like the CM-5 is well-suited for finite-difference methods on structured grids. The regular pattern of connections of a structured mesh maps well onto the architecture of the machine. So the first design choice, finite differences on a structured mesh, is natural. We use centered differences in space, with added artificial dissipation terms. When numerically solving the Navier-Stokes equations, there are liable to be some mesh cells near a solid body that are small in at least one direction. This mesh cell geometry can impose a very severe CFL (Courant-Friedrichs-Lewy) condition on the time step for explicit time-stepping methods. Thus, though explicit time-stepping is well-suited to the architecture of the machine, we have adopted implicit time-stepping. We have further taken the approximate factorization approach. This creates the need to solve large banded linear systems and creates the first possible barrier to an efficient algorithm. To overcome this first possible barrier we have considered two options. The first is just to solve the banded linear systems with data spread over the whole machine, using whatever fast method is available. This option is adequate for solving scalar tridiagonal systems, but for scalar pentadiagonal or block tridiagonal systems it is somewhat slower than desired. The second option is to 'transpose' the flow and geometry variables as part of the time-stepping process: Start with x-lines of data in-processor. Form explicit terms in x, then transpose so y-lines of data are in-processor. Form explicit terms in y, then transpose so z-lines are in processor. Form explicit terms in z, then solve linear systems in the z-direction. Transpose to the y-direction, then solve linear systems in the y-direction. Finally transpose to the x direction and solve linear systems in the x-direction. This strategy avoids inter-processor communication when differencing and solving linear systems, but requires a large amount of communication when doing the transposes. The transpose method is more efficient than the non-transpose strategy when dealing with scalar pentadiagonal or block tridiagonal systems. For handling geometrically complex problems the chimera strategy was adopted. For multiple zone cases we compute on each zone sequentially (using the whole parallel machine), then send the chimera interpolation data to a distributed data structure (array) laid out over the whole machine. This information transfer implies an irregular communication pattern, and is the second possible barrier to an efficient algorithm. We have implemented these ideas on the CM-5 using CMF (Connection Machine Fortran), a data parallel language which combines elements of Fortran 90 and certain extensions, and which bears a strong similarity to High Performance Fortran. We make use of the Connection Machine Scientific Software Library (CMSSL) for the linear solver and array transpose operations.

Jespersen, Dennis C.↗
NASA NTRS1986

Image restoration and superresolution as probes of small scale far-IR structure in star forming regions

Far-infrared continuum studies from the Kuiper Airborne Observatory are described that are designed to fully exploit the small-scale spatial information that this facility can provide. This work gives the clearest picture to data on the structure of galactic and extragalactic star forming regions in the far infrared. Work is presently being done with slit scans taken simultaneously at 50 and 100 microns, yielding one-dimensional data. Scans of sources in different directions have been used to get certain information on two dimensional structure. Planned work with linear arrays will allow us to generalize our techniques to two dimensional image restoration. For faint sources, spatial information at the diffraction limit of the telescope is obtained, while for brighter sources, nonlinear deconvolution techniques have allowed us to improve over the diffraction limit by as much as a factor of four. Information on the details of the color temperature distribution is derived as well. This is made possible by the accuracy with which the instrumental point-source profile (PSP) is determined at both wavelengths. While these two PSPs are different, data at different wavelengths can be compared by proper spatial filtering. Considerable effort has been devoted to implementing deconvolution algorithms. Nonlinear deconvolution methods offer the potential of superresolution -- that is, inference of power at spatial frequencies that exceed D lambda. This potential is made possible by the implicit assumption by the algorithm of positivity of the deconvolved data, a universally justifiable constraint for photon processes. We have tested two nonlinear deconvolution algorithms on our data; the Richardson-Lucy (R-L) method and the Maximum Entropy Method (MEM). The limits of image deconvolution techniques for achieving spatial resolution are addressed.

Lester, D. F.↗
DOE OSTI2023

Generative adversarial networks for scintillation signal simulation in EXO-200

Generative Adversarial Networks trained on samples of simulated or actual events have been proposed as a way of generating large simulated datasets at a reduced computational cost. In this work, a novel approach to perform the simulation of photodetector signals from the time projection chamber of the EXO-200 experiment is demonstrated. The method is based on a Wasserstein Generative Adversarial Network — a deep learning technique allowing for implicit non-parametric estimation of the population distribution for a given set of objects. Our network is trained on real calibration data using raw scintillation waveforms as input. We find that it is able to produce high-quality simulated waveforms an order of magnitude faster than the traditional simulation approach and, importantly, generalize from the training sample and discern salient high-level features of the data. In particular, the network correctly deduces position dependency of scintillation light response in the detector and correctly recognizes dead photodetector channels. Furthermore, the network output is then integrated into the EXO-200 analysis framework to show that the standard EXO-200 reconstruction routine processes the simulated waveforms to produce energy distributions comparable to that of real waveforms. Finally, the remaining discrepancies and potential ways to improve the approach further are highlighted.

47 OTHER INSTRUMENTATION↗
DOE OSTI2019

First-principles electronic structure in second-moment calculation of mode frequencies: Failure of quasiharmonic approximation in silicon

Using first-principles electronic structure calculations (local density approximation), we present second-moment calculations of the temperature dependence of the vibrational normal mode frequencies in Si up to 1500 K . The method is based on simple ensemble averages of displacements and forces and is easy to implement. These efficient calculations incorporate all interactions nonperturbatively, implicitly including all high order force constants, in contrast to typical perturbative approaches. Also in this work, we propose and apply to our classical calculations an estimated quantum correction that could be used for classical approaches other than the moments method. We compare our results to available experiments, including recent inelastic neutron scattering data and conclude that the second-moment gives the frequency shift to within a factor of 2 in contrast to quasiharmonic approaches that fail by an order of magnitude to predict the anharmonic shift. Noting the relative simplicity and speed of the calculations, we conclude that the second-moment approximation reasonably accounts for anharmonicity in a system that has been very closely studied experimentally and may reliably be applied in an exploratory way to more complex systems. Finally, we suggest that further improvement on the results could be obtained by incorporating the fourth moment, which can be implemented with little additional cost.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Extended virtual element method for the Laplace problem with singularities and discontinuities

In this paper, we propose the extended virtual element method (X-VEM) to treat singularities and crack discontinuities that arise in the Laplace problem. The virtual element method (VEM) is a stabilized Galerkin formulation on arbitrary polytopal meshes, wherein the basis functions are implicit (virtual)—they are not known explicitly nor do they need to be computed within the problem domain. In this work, suitable projection operators are used to decompose the bilinear form on each element into two parts: a consistent term that reproduces the first-order polynomial space and a correction term that ensures stability. A similar approach is pursued in the X-VEM with a few notable extensions. To capture singularities and discontinuities in the discrete space, we augment the standard virtual element space with an additional contribution that consists of the product of virtual nodal basis (partition-of-unity) functions with enrichment functions. For discontinuities, basis functions are discontinuous across the crack and for singularities a weakly singular enrichment function that satisfies the Laplace equation is chosen. For the Laplace problem with a singularity, we devise an extended projector that maps functions that lie in the extended virtual element space onto linear polynomials and the enrichment function, whereas for the discontinuous problem, the consistent element stiffness matrix has a block-structure that is readily computed. An adaptive homogeneous numerical integration method is used to accurately and efficiently (no element-partitioning is required) compute integrals with integrands that are weakly singular. Once the element projection matrix is computed, the same steps as in the standard VEM are followed to compute the element stabilization matrix. Numerical experiments are performed on quadrilateral and polygonal (convex and nonconvex elements) meshes for the problem of an $\textit{L}$-shaped domain with a corner singularity and the problem of a cracked membrane under mode III loading, and results are presented that affirm the sound accuracy and demonstrate the optimal rates of convergence in the $\textit{L}^2$ norm and energy of the proposed method.

42 ENGINEERING↗
NASA NTRS1988

An improved version of NCOREL: A computer program for 3-D nonlinear supersonic potential flow computations

A computer code called NCOREL (for Nonconical Relaxation) has been developed to solve for supersonic full potential flows over complex geometries. The method first solves for the conical at the apex and then marches downstream in a spherical coordinate system. Implicit relaxation techniques are used to numerically solve the full potential equation at each subsequent crossflow plane. Many improvements have been made to the original code including more reliable numerics for computing wing-body flows with multiple embedded shocks, inlet flow through simulation, wake model and entropy corrections. Line relaxation or approximate factorization schemes are optionally available. Improved internal grid generation using analytic conformal mappings, supported by a simple geometric Harris wave drag input that was originally developed for panel methods and internal geometry package are some of the new features.

Siclari, Michael J.↗
DOE OSTI2016

Simulation and fitting of complex reaction network TPR: The key is the objective function

In this research, a method has been developed for finding improved fits during simulation and fitting of data from complex reaction network temperature programmed reactions (CRN-TPR). It was found that simulation and fitting of CRN-TPR presents additional challenges relative to simulation and fitting of simpler TPR systems. The method used here can enable checking the plausibility of proposed chemical mechanisms and kinetic models. The most important finding was that when choosing an objective function, use of an objective function that is based on integrated production provides more utility in finding improved fits when compared to an objective function based on the rate of production. The response surface produced by using the integrated production is monotonic, suppresses effects from experimental noise, requires fewer points to capture the response behavior, and can be simulated numerically with smaller errors. For CRN-TPR, there is increased importance (relative to simple reaction network TPR) in resolving of peaks prior to fitting, as well as from weighting of experimental data points. Using an implicit ordinary differential equation solver was found to be inadequate for simulating CRN-TPR. Lastly, the method employed here was capable of attaining improved fits in simulation and fitting of CRN-TPR when starting with a postulated mechanism and physically realistic initial guesses for the kinetic parameters.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

EXPLICIT SYMPLECTIC-LIKE INTEGRATORS WITH MIDPOINT PERMUTATIONS FOR SPINNING COMPACT BINARIES

We refine the recently developed fourth-order extended phase space explicit symplectic-like methods for inseparable Hamiltonians using Yoshida’s triple product combined with a midpoint permuted map. The midpoint between the original variables and their corresponding extended variables at every integration step is readjusted as the initial values of the original variables and their corresponding extended ones at the next step integration. The triple-product construction is apparently superior to the composition of two triple products in computational efficiency. Above all, the new midpoint permutations are more effective in restraining the equality of the original variables and their corresponding extended ones at each integration step than the existing sequent permutations of momenta and coordinates. As a result, our new construction shares the benefit of implicit symplectic integrators in the conservation of the second post-Newtonian Hamiltonian of spinning compact binaries. Especially for the chaotic case, it can work well, but the existing sequent permuted algorithm cannot. When dissipative effects from the gravitational radiation reaction are included, the new symplectic-like method has a secular drift in the energy error of the dissipative system for the orbits that are regular in the absence of radiation, as an implicit symplectic integrator does. In spite of this, it is superior to the same-order implicit symplectic integrator in accuracy and efficiency. The new method is particularly useful in discussing the long-term evolution of inseparable Hamiltonian problems.

79 ASTRONOMY AND ASTROPHYSICS↗