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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 919 records · Page 51
All sourcesNASA NTRSDOE OSTI
NASA NTRSDate not supplied

Investigation of Improved Wall Heat Flux Behavior Observed When Computing Hypersonic Flow Using a Face-averaged Nodal-gradient Approach On Tetrahedral Grids

We investigate the origin of a significant reduction in computed numerical “noise” in the spatial variation of computed wall heat flux observed when using a node-centered weighted least squares(WLSQ) gradient approach when solving the Reynolds-averaged Navier-Stokes (RANS) equations for hypersonic boundary layer flows on highly stretched tetrahedral grids. This investigation is conducted using a 2nd-order, cell-centered, finite-volume, discretization which we employ to contrast results obtained using two WLSQ gradient approaches: a conventional 3-D, cell-centered, node-neighbor, WLSQ gradient (NN-CCG) approach and a 3-D, face-averaged, node-centered gradient (F-ANG)approach. The F-ANG approach, is shown to produce significantly less “noise” in the spatial variation of wall heat flux, than the NN-CCG approach and we demonstrate the cause of this “noise” via a series of numerical experiments where we compute hypersonic laminar and turbulent boundary layer flows.We further investigate the level of grid resolution required for a tetrahedral grid to approach the fidelity of a grid resolved hexahedral grid solution obtained using an equivalent structured grid method.

Jeffery A. White↗
NASA NTRS1995

The Physics of Turbulence in the Boundary Layer

The geometry of the velocity field in a numerically simulated incompressible turbulent boundary layer over a flat plate at Re theta=670 has been studied using the invariants of the velocity gradient tensor. These invariants are computed at every grid point in the flow and used to form the discriminant. Of primary interest are those regions in the flow where the discriminant is positive; regions where, according to the characteristic equation, the eigenvalues of the velocity gradient tensor are complex. An observer moving with a frame of reference which is attached to a fluid particle lying within such a region would see a local flow pattern of the type stable-focus-stretching or unstable-focus-compressing. When the flow is visualized this way, continuous, connected, large-scale structures are revealed that extend from the point just below the buffer layer out to the beginning of the wake region. These structures are aligned with the mean shear close to the wall and arch in the cross-stream direction away from the wall. In some cases the structures observed are very similar to to the hairpin eddy vision of boundary layer structure proposed by Theodorsen. That the structure of the flow is revealed more effectively by the discriminant rather than by the vorticity is important and adds support to recent observations of the discriminant in a channel flow simulation. Of particular importance is the fact that the procedure does not require the use of an arbitrary threshold in the discriminant. Further analysis using computer flow visualization shows a high degree of spatial correlation between regions of positive discriminant, extreme negative pressure fluctuations and large instantaneous values of Reynolds shear stress.

Kline, Stephen↗
NASA NTRS1984

Numerical simulation of the transonic flowfield for wing/nacelle configurations

An efficient grid-interfacing zonal algorithm has been developed for computing the three-dimensional transonic flow field about wing/nacelle multicomponent configurations. The algorithm uses the full-potential formulation and the AF2 fully-implicit approximate factorization scheme. The flow field position is computed using a component-adaptive grid approach in which separate grids are employed for the individual components in the multicomponent configuration, where each component grid is optimized for a particular geometry such as the wing or nacelle. The wing and nacelle component grids are allowed to overlap, and flow field information is transmitted from one grid to another through the overlap region using trivariate interpolation. This paper presents a discussion of the computational methods used to generate both the wing and nacelle component grids, the technique used to interface the component grids, and the method used to obtain the inviscid multicomponent flow field solution. Computed results and correlations with experiment are presented to illustrate application of the analysis.

Atta, E. H.↗
NASA NTRS1999

A Novel Shape Parameterization Approach

This paper presents a novel parameterization approach for complex shapes suitable for a multidisciplinary design optimization application. The approach consists of two basic concepts: (1) parameterizing the shape perturbations rather than the geometry itself and (2) performing the shape deformation by means of the soft objects animation algorithms used in computer graphics. Because the formulation presented in this paper is independent of grid topology, we can treat computational fluid dynamics and finite element grids in a similar manner. The proposed approach is simple, compact, and efficient. Also, the analytical sensitivity derivatives are easily computed for use in a gradient-based optimization. This algorithm is suitable for low-fidelity (e.g., linear aerodynamics and equivalent laminated plate structures) and high-fidelity analysis tools (e.g., nonlinear computational fluid dynamics and detailed finite element modeling). This paper contains the implementation details of parameterizing for planform, twist, dihedral, thickness, and camber. The results are presented for a multidisciplinary design optimization application consisting of nonlinear computational fluid dynamics, detailed computational structural mechanics, performance, and a simple propulsion module.

Samareh, Jamshid A.↗
NASA NTRS2000

Multidisciplinary Aerodynamic-Structural Shape Optimization Using Deformation (MASSOUD)

This paper presents a multidisciplinary shape parameterization approach. The approach consists of two basic concepts: (1) parameterizing the shape perturbations rather than the geometry itself and (2) performing the shape deformation by means of the soft object animation algorithms used in computer graphics. Because the formulation presented in this paper is independent of grid topology, we can treat computational fluid dynamics and finite element grids in a similar manner. The proposed approach is simple, compact, and efficient. Also, the analytical sensitivity derivatives are easily computed for use in a gradient-based optimization. This algorithm is suitable for low-fidelity (e.g., linear aerodynamics and equivalent laminated plate structures) and high-fidelity (e.g., nonlinear computational fluid dynamics and detailed finite element modeling analysis tools. This paper contains the implementation details of parameterizing for planform, twist, dihedral, thickness, camber, and free-form surface. Results are presented for a multidisciplinary design optimization application consisting of nonlinear computational fluid dynamics, detailed computational structural mechanics, and a simple performance module.

Samareh, Jamshid A.↗
NASA NTRS2000

Multidisciplinary Aerodynamic-Structural Shape Optimization Using Deformation (MASSOUD)

This paper presents a multidisciplinary shape parameterization approach. The approach consists of two basic concepts: (1) parameterizing the shape perturbations rather than the geometry itself and (2) performing the shape deformation by means of the soft object animation algorithms used in computer graphics. Because the formulation presented in this paper is independent of grid topology, we can treat computational fluid dynamics and finite element grids in the same manner. The proposed approach is simple, compact, and efficient. Also, the analytical sensitivity derivatives are easily computed for use in a gradient-based optimization. This algorithm is suitable for low-fidelity (e.g., linear aerodynamics and equivalent laminate plate structures) and high-fidelity (e.g., nonlinear computational fluid dynamics and detailed finite element modeling) analysis tools. This paper contains the implementation details of parameterizing for planform, twist, dihedral, thickness, camber, and free-form surface. Results are presented for a multidisciplinary application consisting of nonlinear computational fluid dynamics, detailed computational structural mechanics, and a simple performance module.

Samareh, Jamshid A.↗
NASA NTRS1992

A method of smooth bivariate interpolation for data given on a generalized curvilinear grid

A method of locally bicubic interpolation is presented for data given at the nodes of a two-dimensional generalized curvilinear grid. The physical domain is transformed to a computational domain in which the grid is uniform and rectangular by a generalized curvilinear coordinate transformation. The metrics of the transformation are obtained by finite differences in the computational domain. Metric derivatives are determined by repeated application of the chain rule for partial differentiation. Given the metrics and the metric derivatives, the partial derivatives required to determine a locally bicubic interpolant can be estimated at each data point using finite differences in the computational domain. A bilinear transformation is used to analytically transform the individual quadrilateral cells in the physical domain into unit squares, thus allowing the use of simple formulas for bicubic interpolation.

Zingg, David W.↗
DOE OSTI2020

GPU acceleration of all-electron electronic structure theory using localized numeric atom-centered basis functions

We present an implementation of all-electron density-functional theory for massively parallel GPU-based platforms, using localized atom-centered basis functions and real-space integration grids. Special attention is paid to domain decomposition of the problem on non-uniform grids, which enables compute- and memory-parallel execution across thousands of nodes for real-space operations, e.g. the update of the electron density, the integration of the real-space Hamiltonian matrix, and calculation of Pulay forces. To assess the performance of our GPU implementation, we performed benchmarks on three different architectures using a 103-material test set. We find that operations which rely on dense serial linear algebra show dramatic speedups from GPU acceleration: in particular, SCF iterations including force and stress calculations exhibit speedups ranging from 4.5 to 6.6. For the architectures and problem types investigated here, this translates to an expected overall speedup between 3–4 for the entire calculation (including non-GPU accelerated parts), for problems featuring several tens to hundreds of atoms. Additional calculations for a 375-atom Bi2Se3 bilayer show that the present GPU strategy scales for large-scale distributed-parallel simulations.

42 ENGINEERING↗
DOE OSTI2020

Multi-species collisions for delta-f gyrokinetic simulations: Implementation and verification with GENE

we report a multi-species linearized collision operator based on the model developed by Sugama et al. has been implemented in the nonlinear gyrokinetic code, GENE. Such a model conserves particles, momentum, and energy to machine precision, and is shown to have negative definite free energy dissipation characteristics, satisfying Boltzmann’s H-theorem, including for realistic mass ratio. Finite Larmor Radius (FLR) effects have also been implemented into the local version of the code. For the global version of the code, the collision operator has been developed to allow for block-structured velocity space grids, allowing for computationally tractable collisional global simulations. The validity of the collision operator has been demonstrated by relaxation and conservation tests, as well as appropriate benchmarks. The newly implemented operator shall be used in future simulations to study magnetically confined fusion plasma turbulence and transport in more extreme regions with higher collisionality.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Constructing field-aligned coordinate systems for gyrokinetic simulations of tokamaks in X-point geometries

Structures in tokamak plasmas are elongated along the direction of the magnetic field and short in the directions perpendicular to the magnetic field. Many tokamak simulation codes take advantage of this by using a field-aligned coordinate system. However, field-aligned coordinate systems have a coordinate singularity at magnetic X-points where the poloidal magnetic field vanishes, which makes it difficult to use field-aligned coordinate systems when simulating the core and scrape-off layer simultaneously. Here, we present an algorithm for grid generation and computing geometric quantities in a standard field-aligned coordinate system that avoids the singularity and allows one to conduct two-dimensional gyrokinetic axisymmetric simulations in X-point geometries. Convergence tests of advection, boundary value problems and geometric quantities all show greater than first-order convergence even in the vicinity of the X-point. We also demonstrate the geometric consistency of our algorithm with an example simulation of the spherical tokamak for energy production, which shows machine-precision particle conservation.

fusion plasma↗
DOE OSTI2020

Numerically modeling stochastic inflation in slow-roll and beyond

In this work, we present a complete numerical treatment of inflationary dynamics under the influence of stochastic corrections from sub-Hubble modes. We discuss how to exactly model the stochastic noise terms arising from the sub-Hubble quantum modes that give rise to the coarse-grained inflaton dynamics in the form of stochastic differential equations. The stochastic differential equations are solved event by event on a discrete time grid. We then compute the power spectrum of curvature perturbations that can be compared with the power spectrum computed in the traditional fashion using the Mukhanov-Sasaki equation by canonically quantizing the inflaton fluctuations. Our numerical procedure helps us to easily extend the formalism to ultra slow-roll inflation and study the possibility of primordial black hole formation.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Data-Driven Compression of Electron-Phonon Interactions

First-principles calculations of electron interactions in materials have seen rapid progress in recent years, with electron-phonon ( e − ph ) interactions being a prime example. However, these techniques use large matrices encoding the interactions on dense momentum grids, which reduces computational efficiency and obscures interpretability. For e − ph interactions, existing interpolation techniques leverage locality in real space, but the high dimensionality of the data remains a bottleneck to balance cost and accuracy. Here we show an efficient way to compress e − ph interactions based on singular value decomposition (SVD), a widely used matrix and image compression technique. Leveraging (un)constrained SVD methods, we accurately predict material properties related to e − ph interactions—including charge mobility, spin relaxation times, band renormalization, and superconducting critical temperature—while using only a small fraction (1%–2%) of the interaction data. These findings unveil the hidden low-dimensional nature of e − ph interactions. Furthermore, they accelerate state-of-the-art first-principles e − ph calculations by about 2 orders of magnitude without sacrificing accuracy. Our Pareto-optimal parametrization of e − ph interactions can be readily generalized to electron-electron and electron-defect interactions, as well as to other couplings, advancing quantitative studies of condensed matter. Published by the American Physical Society 2024

Physics↗
DOE OSTI2021

Multi-species collisions for delta-f gyrokinetic simulations: Implementation and verification with GENE

A multi-species linearized collision operator based on the model developed by Sugama et al. has been implemented in the nonlinear gyrokinetic code, GENE. Such a model conserves particles, momentum, and energy to machine precision, and is shown to have negative definite free energy dissipation characteristics, satisfying Boltzmann’s H-theorem, including for realistic mass ratio. Finite Larmor Radius (FLR) effects have also been implemented into the local version of the code. For the global version of the code, the collision operator has been developed to allow for block-structured velocity space grids, allowing for computationally tractable collisional global simulations. The validity of the collision operator has been demonstrated by relaxation and conservation tests, as well as appropriate benchmarks. The newly implemented operator shall be used in future simulations to study magnetically confined fusion plasma turbulence and transport in more extreme regions with higher collisionality.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1972

The last Balmer line and H gamma in model B stars

Profiles of the last few Balmer lines (H12-H27) and the full profiles of the H gamma line were computed for a grid of hydrogen line blanketed model atmospheres. The use of the last hydrogen line and the equivalent width of H gamma provide a quick means of estimating the effective temperature and surface gravity of B stars. Regression curves relating the quantum number of the last hydrogen line to the electron density in the model atmosphere are given. Futhermore, it is shown that the difference in the gravity determination deduced from H gamma equivalent widths using the Edmonds-Schuter-Wells formalism and the Griem wing formulae is, at worst, 0.18 in the common logarithm.

Fischel, D.↗
NASA NTRS1975

Observations and theory of Mg II lines in early type stars. II - Theory and predicted profiles. III - The observations and a comparison with the predictions

Profiles of the UV Mg II lines in the spectra of early type stars are computed in a grid of model atmospheres with effective temperatures between 8000 and 35,000 K and log g values of 2.5 to 4.0 using the LTE and non-LTE theories of line formation. The theoretical results indicate that the line cores are strengthened by non-LTE effects over the entire temperature range, resonance-line wings are weaker in the cooler models than in the LTE case, and very large deviations from LTE occur in the hot low-gravity models. These predictions are compared with the equivalent widths of the UV Mg II lines in 106 stars and of the visual lines in 48 stars (spectral types O4 to A3). The observed equivalent widths of normal stars in luminosity classes II through V are found to agree with the predictions over the entire range from O8 to A2 if a certain Mg/H abundance is adopted. The line intensities observed in supergiants, Be, Bp, and Ap stars are discussed.

Snijders, M. A. J.↗
NASA NTRS1977

The external magnetic field environment

Calculations were made to predict magnetic field intensities surrounding an aircraft following a lightning strike. Aircraft design and aircraft structural geometry were considered in the computations. A wire grid aircraft model was used to aid in magnetic flux estimation.

Franklin A Fisher↗
NASA NTRS1978

On the use of co-ordinate stretching in the numeral computation of high frequency scattering

The scattering of the sound of a jet engine by an airplane fuselage is modeled by solving the axially symmetric Helmholtz equation exterior to a long thin ellipsoid. The integral equation method based on the single layer potential formulation is used. A family of coordinate systems on the body is introduced and an algorithm is presented to determine the optimal coordinate system. Numerical results verify that the optimal choice enables the solution to be computed with a grid that is coarse relative to the wavelength.

Bayliss, A.↗
NASA NTRS1982

Finite difference modeling of rotor flows including wake effects

Rotary wing finite difference methods are investigated. The main concern is the specification of boundary conditions to properly account for the effect of the wake on the blade. Examples are given of an approach where wake effects are introduced by specifying an equivalent angle of attack. An alternate approach is also given where discrete vortices are introduced into the finite difference grid. The resulting computations of hovering and high advance ratio cases compare well with experiment. Some consideration is also given to the modeling of low to moderate advance ratio flows.

Caradonna, F. X.↗