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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 19 records
All sourcesNASA NTRSDOE OSTI
NASA NTRS1989

The free-wake prediction of rotor hover performance using a vortex embedding method

A method is developed to predict the rotor hover performance. This method solves the compressible mass conservation equation much like current full potential codes and can therefore predict the transonic flows on a rotor. However, the newly developed approach also allows for the free convection of shed vorticity and permits the computation of the entire hover wake system. The method uses a vortex embedding scheme in potential flow and has been implemented in a computer code, HELIX -I. To predict power we implement a simple boundary layer and two different induced-drag integration schemes. The induced-drag is obtained from surface pressure integration and an energy flux integral. Comparisons between computations and experiment show good agreement for the prediction of power polars, surface pressure distribution, and tip vortex geometry.

Ramachandran, K.↗
NASA NTRS1982

Singularity embedding method in potential flow calculations

The so-called H-type mesh is used in a finite-element (or finite-volume) calculation of the potential flow past an airfoil. Due to coordinate singularity at the leading edge, a special singular trial function is used for the elements neighboring the leading edge. The results using the special singular elements are compared to those using the regular elements. It is found that the unreasonable pressure distribution obtained by the latter is removed by the embedding of the singular element. Suggestions to extend the present method to transonic cases are given.

Jou, W. H.↗
NASA NTRS1986

An embedding method for the steady Euler equations

Certain difficulties arise in connection with the numerical solution of a direct finite difference representation of the steady Euler equations. Johnson (1979, 1981, 1982) has, therefore, proposed a surrogate-equation technique, in which the first-order steady Euler equations are embedded in a certain second-order system of equations. The present paper is concerned with the theoretical justification for such an embedding approach. For the numerical solution of the two-dimensional steady Euler equations, it is shown that, under a continuity restriction, it is possible to solve a second-order embedded system together with appropriate additional boundary conditions. The result indicates that a more direct and potentially more efficient approach to the steady solutions exists than the alternative of solving the unsteady equations.

Chang, S.-H.↗
NASA NTRS1983

Embedding methods for the steady Euler equations

An approach to the numerical solution of the steady Euler equations is to embed the first-order Euler system in a second-order system and then to recapture the original solution by imposing additional boundary conditions. Initial development of this approach and computational experimentation with it were previously based on heuristic physical reasoning. This has led to the construction of a relaxation procedure for the solution of two-dimensional steady flow problems. The theoretical justification for the embedding approach is addressed. It is proven that, with the appropriate choice of embedding operator and additional boundary conditions, the solution to the embedded system is exactly the one to the original Euler equations. Hence, solving the embedded version of the Euler equations will not produce extraneous solutions.

Chang, S. H.↗
NASA NTRS1990

Application of the embedded atom method to Pb and Be

We have derived the embedding energy functional and two-body potential of the embedded atom method using decreasing exponentials for both the electron density and the two body potential. The embedding function was obtained from the equation of state given by Rose et al. (1984). Because of the form of the embedding function, the equilibrium lattice constant, cohesive energy, and bulk modulus are automatically satisfied. The two parameters phi(e) and gamma of the two-body potential were determined by fitting to shear modulus and the single vacancy formation energy. Contributions of up to the third nearest neighbors were included in the evaluation of the charge density rho and the two-body potential phi. The stability and anisotropy of each structure were estimated and compared with the available experimental data.

Karimi, M.↗
DOE OSTI2025

Strongly Correlated States of Transition Metal Spin Defects: The Case of an Iron Impurity in Aluminum Nitride

We investigate the electronic properties of an exemplar transition metal impurity in an insulator, with the goal of accurately describing strongly correlated defect states. Here, we consider iron in aluminum nitride, a material of interest for hybrid quantum technologies, and we carry out calculations with quantum embedding methods, density matrix embedding theory (DMET) and quantum defect embedding theory (QDET), and with spin-flip time-dependent density functional theory (TDDFT). We show that both DMET and QDET accurately describe the ground state and low-lying excited states of the defect and that TDDFT yields photoluminescence spectra in agreement with experiments. In addition, we provide a detailed discussion of the convergence of our results as a function of the active space used in the embedding methods, thus defining a protocol to obtain converged data directly comparable with experiments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1994

Embedded function methods for compressible high speed turbulent flow

This is the final report on the work performed on the grant 'Embedded Function Methods for Compressible High Speed Turbulent Flow' carried out at Lehigh University during the contract period from September, 1987, to October of 1991. Work has continued at Lehigh on this project on an unfunded basis to the present. The original proposed work had two separate thrusts which were associated with developing embedded function methods in order to obviate the need to expend computational resources on turbulent wall layers in Navier Stokes and boundary-layer calculations. Previous work on the incompressible problem had indicated that this could be done successfully for two-dimensional and three-dimensional incompressible flows. The central objective here was to extend the basic approach to the high speed compressible problem.

Walker, J. D. A.↗
DOE OSTI2025

Pore Resolved Simulations of Joule Heating in Fibrous Media using an Embedded Boundary Method

Joule heating has been regarded as an energy-efficient and sustainable method for heating materials and gases at large scales. The modeling of local temperature effects at pore-resolved scales for such systems, however, has been difficult to achieve due to challenges in coupling thermo-chemical processes in complex porous media and in large representative volume elements (RVEs). To this end, we developed an electro-thermal model at the pore scale to study Joule heating effects in large heterogeneous systems with different microstructures. This was achieved using the level set method to implicitly delineate distinct regions within the domain, and an embedded boundary method to facilitate heat exchange across the fluid-solid interface. Moreover, we applied this method to investigate unsteady non-linear electro-thermal effects in non-woven fibrous graphite conductors for RVEs with characteristic lengths of 2 mm, with different fiber orientations, porosity (80% – 90%) and fiber diameters (10 – 20µm). The coupled equations were solved numerically and they produced peak temperatures greater than 2000 K resulting in heating rates as high as 80,000 K/s. Moreover, the results depended strongly on the microstructure of the fiber skeleton and current density. Geometries with large fibers (∼ 20µm) had the highest average and peak temperatures with the mean temperature increasing by 3.9 % while the peak temperature increased by 9.9 %. Anisotropic domains on the other hand had the lowest mean and peak temperatures with peak and mean temperatures of 2293 K and 1437.7K respectively representing a corresponding 12.1% and 5.1% drop in the temperatures. An increase in porosity from 80% to 90%, however, led to an increase in the peak temperature by 5.1%.

Joule heating↗
NASA NTRS1990

Embedded function methods for supersonic turbulent boundary layers

The development of embedded functions to represent the mean velocity and total enthalpy distributions in the wall layer of a supersonic turbulent boundary layer is considered. The asymptotic scaling laws (in the limit of large Reynolds number) for high speed compressible flows are obtained to facilitate eventual implementation of the embedded functions in a general prediction method. A self-consistent asymptotic structure is derived, as well as a compressible law of the wall in which the velocity and total enthalpy are logarithmic within the overlap zone, but in the Howarth-Dorodnitsyn variable. Simple outer region turbulence models are proposed (some of which are modifications of existing incompressible models) to reflect the effects of compressibility. As a test of the methodology and the new turbulence models, a set of self-similar outer region profiles is obtained for constant pressure flow; these are then coupled with embedded functions in the wall layer. The composite profiles thus obtained are compared directly with experimental data and good agreement is obtained for flows with Mach numbers up to 10.

He, J.↗
DOE OSTI2025

A constrained-transport embedded boundary method for compressible resistive magnetohydrodynamics

Motivated by the increased interest in pulsed-power magneto-inertial fusion devices in recent years, we present a method for implementing an arbitrarily shaped embedded boundary on a Cartesian mesh while solving the equations of compressible resistive magnetohydrodynamics. The method is built around a finite volume formulation of the equations in which a Riemann solver is used to compute fluxes on the faces between grid cells, and a face-centered constrained transport formulation of the induction equation. The small time step problem associated with the cut cells is avoided by always computing fluxes on the faces and edges of the Cartesian mesh. We extend the method to model a moving interface between two materials with different properties using a ghost-fluid approach, and show some preliminary results including shock-wave-driven and magnetically-driven dynamical compressions of magnetohydrostatic equilibria. In conclusion, we present a thorough verification of the method and show that it converges at second order in the absence of discontinuities, and at first order with a discontinuity in material properties.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1991

Disordering and H-embrittlement of Pb(110) surface using embedded atom method and molecular dynamics

The dynamics and structure of the crystal melt interface are of great importance in crystal growth, melting, and other properties of the solid-liquid interface. The Embedded Atom Method (EAM), a semiempirical method developed by Daw and Baskes for determining the energetics of atoms in a bulk environment, is a useful method in the computer simulation. The EAM functions of PB in conjunction with the MD code are employed to study melting and disordering of the Pb(100) surface. The EAM functions are fitted to the bulk experimental data at zero temperature, and it is not clear if it will behave correctly at higher temperatures. In fact, it is shown that use of a similar type of potential at higher temperatures might result in a negative coefficient of thermal expansion. The primary purpose here is to perform MD simulation combined with the EAM functions of PB to study melting of the Pb(100) surface. This provides an accurate test of the EAM functions at higher temperatures. In particular, we calculate the two dimensional structure factor, the two dimensional distribution function, and density profile as a function of temperature up to the melting point of lead.

Karimi, Majid↗
NASA NTRS1996

A liquid drop model for embedded atom method cluster energies

Minimum energy configurations for homonuclear clusters containing from two to twenty-two atoms of six metals, Ag, Au, Cu, Ni, Pd, and Pt have been calculated using the Embedded Atom Method (EAM). The average energy per atom as a function of cluster size has been fit to a liquid drop model, giving estimates of the surface and curvature energies. The liquid drop model gives a good representation of the relationship between average energy and cluster size. As a test the resulting surface energies are compared to EAM surface energy calculations for various low-index crystal faces with reasonable agreement.

Finley, C. W.↗
NASA NTRS1983

Spectral methods for flows in complex geometries

Three methods for the application of spectral methods to flows in complex geometries are discussed. They are the spectral iteration method, the spectral embedding method, and the spectral element method. Applications are given to the flow over wavy walls, past a large-eddy breakup device (LEBU), and to flow over a step.

Orszag, S. A.↗
NASA NTRS1982

A transonic rectangular grid embedded panel method

A method is presented that has the potential for solving transonic flow problems about the same complex aircraft configurations currently being analyzed by subsonic panel methods. This method does not require the generation of surface fitted grids. Instead it uses rectangular grids and subgrids together with embedded surface panels on which boundary conditions are imposed. Both the Euler and full potential equations are considered. The method of least squares is used to reduce the solution of these equations to the solution of a sequence of Poisson problems. The Poisson problems are solved using fast Fourier transforms and panel influence coefficient techniques. The overall method is still in its infancy but some two dimensional results are shown illustrating various key features.

Johnson, F. T.↗
NASA NTRS1990

Application of vortex embedding to aircraft flows

A combined Eulerian/Lagrangian 'vortex embedding' method was applied to two cases. The first case involved compressible flow over a realistic fighter aircraft (X-29 fighter) at low angle of attack, for both subsonic and transonic speeds, with shock. Good agreement was obtained for computed wing surface pressures when compared to flight test data. The second case involved incompressible flow over a delta wing with round leading edges at moderate angles of attack. Strong, concentrated vortices were shown to be shed from the leading edge. The vortex embedding method appears to be an efficient solution procedure for cases where well-defined vortex sheets are shed from surfaces.

Steinhoff, John↗
DOE OSTI2025

Moment-based adaptive time integration for thermal radiation transport

Here, in this paper we develop a framework for moment-based adaptive time integration of deterministic multifrequency thermal radiation transpot (TRT). We generalize our recent semi-implicit-explicit (IMEX) integration framework for gray TRT to multifrequency TRT, and also introduce a semi-implicit variation that facilitates higher-order integration of TRT, where each stage is implicit in all components except opacities. To appeal to the broad literature on adaptivity with Runge–Kutta methods, we derive new embedded methods for four asymptotic preserving IMEX Runge–Kutta schemes we have found to be robust in our previous work on TRT and radiation hydrodynamics. We then use a moment-based high-order-low-order representation of the transport equations. Due to the high dimensionality, memory is always a concern in simulating TRT. We form error estimates and adaptivity in time purely based on temperature and radiation energy, for a trivial overhead in computational cost and memory usage compared with the base second order integrators. We then test the adaptivity in time on the tophat and Larsen problem, demonstrating the ability of the adaptive algorithm to naturally vary the timestep across 4–5 orders of magnitude, ranging from the dynamical timescales of the streaming regime to the thick diffusion limit.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1985

A transonic rectangular grid embedded panel method

In this chapter, a description is given of a nonstandard method which has the ultimate goal to provide a routine solution of transonic flow problems about large, complex configurations. For a number of reasons, it is difficult to extend standard methods to the solution of flows about complicated configurations. According to the particular approach of the considered nonstandard method, in the process of solving for linear potential flow via panel methods, a flow everwhere in space is created, taking into account the interior of the aircraft as well as the external flowfield of interest. Attention is given to the solution of flow problems without interior boundaries, the treatment of interior boundaries, and areas of current and future research.

Johnson, F. T.↗