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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 NTRS1985

On the factorization of block-tridiagonals without storage constraints

In many programs solving difference equations, problem size is restricted by the number of available memory cells. A strategy has been developed to permit trade-offs between the number of floating point operations required and storage requirements for the solution of certain problems such as block tridiagonal systems of equations. This is done by recomputing some intermediate results instead of storing them. Reducing the storage to the square root of the current requirement will roughly double the number of computations. In theory, if m is the order of each sub-matrix in the block tridiagonal matrix, one can solve any linear system with only 5 sq m + 1 temporary storage cells. This method lends itself to efficient use on computers with parallel processing or vector processing architectures. On these computers the larger number of floating point operations is more than offset by the decrease in I/O and the increased percentage of vector operations made possible by this algorithm.

Merriam, M. L.↗
NASA NTRS1996

Simulation of Nonlinear Instabilities in an Attachment-Line Boundary Layer

The linear and the nonlinear stability of disturbances that propagate along the attachment line of a three-dimensional boundary layer is considered. The spatially evolving disturbances in the boundary layer are computed by direct numerical simulation (DNS) of the unsteady, incompressible Navier-Stokes equations. Disturbances are introduced either by forcing at the in ow or by applying suction and blowing at the wall. Quasi-parallel linear stability theory and a nonparallel theory yield notably different stability characteristics for disturbances near the critical Reynolds number; the DNS results con rm the latter theory. Previously, a weakly nonlinear theory and computations revealed a high wave-number region of subcritical disturbance growth. More recent computations have failed to achieve this subcritical growth. The present computational results indicate the presence of subcritically growing disturbances; the results support the weakly nonlinear theory. Furthermore, an explanation is provided for the previous theoretical and computational discrepancy. In addition, the present results demonstrate that steady suction can be used to stabilize disturbances that otherwise grow subcritically along the attachment line.

Joslin, Ronald D.↗
NASA NTRS1982

On the inversion of block tridiagonals without storage constraints

A strategy was developed to permit trade-offs between the number of floating point operations required and the storage requirements for the solution of certain difference problems, such as block tridiagonal systems of equations. This is done by recomputing some intermediate results instead of storing them. Reducing the storage to the square root of the current requirement roughly doubles the number of computations. Reducing the storage more than this tends to make the number of computations prohibitively large. In theory, if m is the order of each sub-matrix in the block tridiagonal matrix, one can solve any linear system with only 5m(2) + 1 temporary storage cells. In many cases m is a constant and quite small. For example, in solving a factored form of the three-dimensional Navier-Stokes equations, the size m of the block tridiagonals is 5. This method lends itself to efficient use on computers with parallel processing or vector processing architectures. On these computers the larger number of floating point operations is more than offset by the decrease in I/O and the increased percentage of vector operations made possible by this algorithm.

Merriam, M. L.↗
NASA NTRS1979

Robust stability of linear systems: Some computational considerations

The cases of both additive and multiplicative perturbations were discussed and a number of relationships between the two cases were given. A number of computational aspects of the theory were also discussed, including a proposed new method for evaluating general transfer or frequency response matrices. The new method is numerically stable and efficient, requiring only operations to update for new values of the frequency parameter.

Laub, A. J.↗
NASA NTRSDate not supplied

Efficient Implementation for Unitary Coupled Cluster State Preparation for Near-Term Quantum Computers

Unitary coupled cluster theory (UCC) is a common wave function ansatz for quantum simulation of molecular electronic structure using the variational quantum eigenvalue solver (VQE). Even for small molecules using a double-ζ basis, the number of variational parameters required to minimize the electronic energy (i.e., optimize the circuit) is large and beyond the reach of current quantum computers. For example, a circuit simulating C2 using the UCCSD ansatz and the cc-pVDZ basis set with frozen-core will require over 10,000 variational parameters and a Hilbert space of over 10^(8) determinants. To make progress on simulating such molecular systems on near-term quantum computers, we explore how much of the optimization can be approximately prepared with classical simulation while reducing the number of optimization steps performed on a quantum device. Recently, Chen, Cheng, and Freericks [J. Chem. Theory Comput. 2021, 17, 841-847] presented an algorithm for the factorized form of the UCC ansatz that allows for efficient UCC optimizations on classical hardware. We flip the algorithm around and use it to prepare approximate quantum circuits for systems that require a large number of qubits to represent. We will present results from our implementation and discuss strategies for incorporating this implementation for algorithms involving near-term quantum computers.

Quantum Computing↗
NASA NTRSDate not supplied

Efficient Implementation for Unitary Coupled Cluster State Preparation for Near-Term Quantum Computers

Unitary coupled cluster theory (UCC) is a common wave function ansatz for quantum simulation of molecular electronic structure using the variational quantum eigenvalue solver (VQE). Even for small molecules using a double-ζ basis, the number of variational parameters required to minimize the electronic energy (i.e., optimize the circuit) is large and beyond the reach of current quantum computers. For example, a circuit simulating C2 using the UCCSD ansatz and the cc-pVDZ basis set with frozen-core will require over 10,000 variational parameters and a Hilbert space of over 10^(8) determinants. To make progress on simulating such molecular systems on near-term quantum computers, we explore how much of the optimization can be approximately prepared with classical simulation while reducing the number of optimization steps performed on a quantum device. Recently, Chen, Cheng, and Freericks [J. Chem. Theory Comput. 2021, 17, 841-847] presented an algorithm for the factorized form of the UCC ansatz that allows for efficient UCC optimizations on classical hardware. We flip the algorithm around and use it to prepare approximate quantum circuits for systems that require a large number of qubits to represent. We will present results from our implementation and discuss strategies for incorporating this implementation for algorithms involving near-term quantum computers.

Quantum Computing↗
NASA NTRSDate not supplied

Efficient Implementation for Unitary Coupled Cluster State Preparation for Near-Term Quantum Computers

Unitary coupled cluster theory (UCC) is a common wave function ansatz for quantum simulation of molecular electronic structure using the variational quantum eigenvalue solver (VQE). Even for small molecules using a double-ζ basis, the number of variational parameters required to minimize the electronic energy (i.e., optimize the circuit) is large and beyond the reach of current quantum computers. For example, a circuit simulating C2 using the UCCSD ansatz and the cc-pVDZ basis set with frozen-core will require over 10,000 variational parameters and a Hilbert space of over 10^8 determinants. To make progress on simulating such molecular systems on near-term quantum computers, we explore how much of the optimization can be approximately prepared with classical simulation while reducing the number of optimization steps performed on a quantum device. Recently, Chen, Cheng, and Freericks [J. Chem. Theory Comput. 2021, 17, 841-847] presented an algorithm for the factorized form of the UCC ansatz that allows for efficient UCC optimizations on classical hardware. We flip the algorithm around and use it to prepare approximate quantum circuits for systems that require a large number of qubits to represent. We will present results from our implementation and discuss strategies for incorporating this implementation for algorithms involving near-term quantum computers.

J Wayne Mullinax↗
NASA NTRS1973

Experimental and theoretical investigations in two-dimensional transonic flow.

Experimental and theoretical results are presented from a study of the flow over a family of transonically scaled circular-arc bodies mounted in a solid-wall wind tunnel. Data are presented for Reynolds numbers between 30,000 and 3,600,000, based on chord. The high Reynolds number results are compared with computations based on inviscid theory, and are used to investigate transonic similarity and the behavior of the flow near choking. The results at low Reynolds number are used to demonstrate the effect of viscosity on the overall flowfield, and comparisons are made with existing laminar viscous/inviscid interaction theory.

Collins, D. J.↗
NASA NTRS1957

Investigation of the Laminar Aerodynamic Heat-transfer Characteristics of a Hemisphere-cylinder in the Langley 11-inch Hypersonic Tunnel at a Mach Number of 6.8

A program to investigate the aerodynamic heat transfer of a nonisothermal hemisphere-cylinder has been conducted in the Langley 11-inch hypersonic tunnel at a Mach number of 6.8 and a Reynolds number from approximately 0.14 x 10(6) to 1.06 x 10(6) based on diameter and free-stream conditions. The experimental heat-transfer coefficients were slightly less over the whole body than those predicted by the theory of Stine and Wanlass (NACA technical note 3344) for an isothermal surface. For stations within 45 degrees of the stagnation point the heat-transfer coefficients could be correlated by a single relation between local Stanton number and local Reynolds number. Pitot pressure profiles taken at a Mach number of 6.8 on a hemisphere-cylinder have verified that the local Mach number or velocity outside the boundary layer required in the theories may be computed from the surface pressures by using isentropic flow relations and conditions immediately behind a normal shock. The experimental pressure distribution at Mach number of 6.8 is closely predicted by the modified Newtonian theory.

Crawford, Davis H↗
NASA NTRS1979

Subsolidus convection in the mantles of terrestrial planets

The role of heat transport by solid state mantle convection in determining the past and present thermal states of terrestrial planets is examined. Mantle convection models have relied on two-dimensional and axisymmetric three-dimensional numerical calculations incorporating the temperature and pressure dependence of mantle rheology and its non-Newtonian nature. Convection at high Rayleigh numbers has been investigated through theoretical scaling arguments and boundary layer theories; nevertheless, computational limits prevent modeling of the fully three-dimensional, time-dependent, very high Rayleigh number convection which probably prevails in terrestrial planets. Radar measurements of Venus, as well as Voyager exploration of the Galilean satellites, should also provide information on mantle convection.

Schubert, G.↗
NASA NTRS1992

Numerical simulation of jet noise

Jet noise and jet-induced structural loads have become key issues in the design of commercial and military aircraft. Computational Fluid Dynamics (CFD) can be of use in predicting the underlying jet shear-layer instabilities and, in conjunction with classical acoustic theory, jet noise. The computational issues involved in the resolution of high Reynolds number unsteady jet flows are addressed in this paper. Once these jet flows can be accurately resolved, it should be possible to use acoustic theory to extract, for example, the far-field jet noise. An assessment of future work and computational resources required for directly computing far-field jet noise is also presented.

Van Dalsem, W. R.↗
NASA NTRS1991

Renormalization group analysis of anisotropic diffusion in turbulent shear flows

The renormalization group is applied to compute anisotropic corrections to the scalar eddy diffusivity representation of turbulent diffusion of a passive scalar. The corrections are linear in the mean velocity gradients. All model constants are computed theoretically. A form of the theory valid at arbitrary Reynolds number is derived. The theory applies only when convection of the velocity-scalar correlation can be neglected. A ratio of diffusivity components, found experimentally to have a nearly constant value in a variety of shear flows, is computed theoretically for flows in a certain state of equilibrium. The theoretical value is well within the fairly narrow range of experimentally observed values. Theoretical predictions of this diffusivity ratio are also compared with data from experiments and direct numerical simulations of homogeneous shear flows with constant velocity and scalar gradients.

Rubinstein, Robert↗
NASA NTRS2019

Production and Potential Detection of Functionalized Hexamethylene-Tetramine Compounds in Space

Laboratory studies have shown that exposure of mixed ices of astrophysical interest to ionizing radiation such as ultraviolet (UV) photons or energetic particles (electrons, protons) leads to the production of large numbers of new, more complex compounds. A significant portion of these new species appear to belong to a family of molecules that consist of hexamethylenetetramine (HMT; C6N4H12) and HMT to which different chemical side groups have been substituted for a peripheral H atom. This work presents the identification of HMT-methanol (HMT-CH2OH), one of these HMT variants, in organic residues produced from the UV irradiation of astrophysically relevant ice mixtures at < 20 K. We also present the infrared (IR) spectra of HMT, HMTCH2OH, and a number of other HMT variants computed using density functional theory (DFT) computations. These spectra can be compared with each other and show similarities that can be used to search for this family of compounds in space.

UV Irradiation↗
NASA NTRS1990

Effects of forebody geometry on subsonic boundary-layer stability

As part of an effort to develop computational techniques for design of natural laminar flow fuselages, a computational study was made of the effect of forebody geometry on laminar boundary layer stability on axisymmetric body shapes. The effects of nose radius on the stability of the incompressible laminar boundary layer was computationally investigated using linear stability theory for body length Reynolds numbers representative of small and medium-sized airplanes. The steepness of the pressure gradient and the value of the minimum pressure (both functions of fineness ratio) govern the stability of laminar flow possible on an axisymmetric body at a given Reynolds number. It was found that to keep the laminar boundary layer stable for extended lengths, it is important to have a small nose radius. However, nose shapes with extremely small nose radii produce large pressure peaks at off-design angles of attack and can produce vortices which would adversely affect transition.

Dodbele, Simha S.↗
NASA NTRS1987

Report from the MPP Working Group to the NASA Associate Administrator for Space Science and Applications

NASA's Office of Space Science and Applications (OSSA) gave a select group of scientists the opportunity to test and implement their computational algorithms on the Massively Parallel Processor (MPP) located at Goddard Space Flight Center, beginning in late 1985. One year later, the Working Group presented its report, which addressed the following: algorithms, programming languages, architecture, programming environments, the way theory relates, and performance measured. The findings point to a number of demonstrated computational techniques for which the MPP architecture is ideally suited. For example, besides executing much faster on the MPP than on conventional computers, systolic VLSI simulation (where distances are short), lattice simulation, neural network simulation, and image problems were found to be easier to program on the MPP's architecture than on a CYBER 205 or even a VAX. The report also makes technical recommendations covering all aspects of MPP use, and recommendations concerning the future of the MPP and machines based on similar architectures, expansion of the Working Group, and study of the role of future parallel processors for space station, EOS, and the Great Observatories era.

Fischer, James R.↗
NASA NTRS1992

The effect of gravitational modulation on convection in vertical Bridgman growth

During vertical directional solidification of a binary alloy at constant velocity, buoyancy driven solutal convection may occur due to the solute gradient associated with the solidification process. This problem is further complicated if time periodic forcing is considered, which is relevant to materials processing in a microgravity environment or as a means of dynamic control of flow instabilities. The effect of time periodic modulation is studied by introducing a gravitational acceleration which is a sinusoidal function of time. The onset of solutal convection is treated by a stability analysis of the linearized governing equations and boundary conditions. Solutions are obtained numerically by employing two distinct computational implementations of Floquet theory. Results for materials with large Schmidt number are presented, and an analysis for large frequency and large Schmidt number yields a more complete description of the behavior in this relevant limit.

Murray, Bruce T.↗
NASA NTRS1974

An oscillatory kernel function method for lifting surfaces in mixed transonic flow

A study was conducted on the use of combined subsonic and supersonic linear theory to obtain economical and yet realistic solutions to unsteady transonic flow problems. With some modification, existing linear theory methods were combined into a single computer program. The method was applied to problems for which measured steady Mach number distributions and unsteady pressure distributions were available. By comparing theory and experiment, the transonic method showed a significant improvement over uniform flow methods. The results also indicated that more exact local Mach number effects and normal shock boundary conditions on the perturbation potential were needed. The validity of these improvements was demonstrated by application to steady flow.

Cunningham, A. M., Jr.↗
NASA NTRS2010

Interlaminar Stresses by Refined Beam Theories and the Sinc Method Based on Interpolation of Highest Derivative

Computation of interlaminar stresses from the higher-order shear and normal deformable beam theory and the refined zigzag theory was performed using the Sinc method based on Interpolation of Highest Derivative. The Sinc method based on Interpolation of Highest Derivative was proposed as an efficient method for determining through-the-thickness variations of interlaminar stresses from one- and two-dimensional analysis by integration of the equilibrium equations of three-dimensional elasticity. However, the use of traditional equivalent single layer theories often results in inaccuracies near the boundaries and when the lamina have extremely large differences in material properties. Interlaminar stresses in symmetric cross-ply laminated beams were obtained by solving the higher-order shear and normal deformable beam theory and the refined zigzag theory with the Sinc method based on Interpolation of Highest Derivative. Interlaminar stresses and bending stresses from the present approach were compared with a detailed finite element solution obtained by ABAQUS/Standard. The results illustrate the ease with which the Sinc method based on Interpolation of Highest Derivative can be used to obtain the through-the-thickness distributions of interlaminar stresses from the beam theories. Moreover, the results indicate that the refined zigzag theory is a substantial improvement over the Timoshenko beam theory due to the piecewise continuous displacement field which more accurately represents interlaminar discontinuities in the strain field. The higher-order shear and normal deformable beam theory more accurately captures the interlaminar stresses at the ends of the beam because it allows transverse normal strain. However, the continuous nature of the displacement field requires a large number of monomial terms before the interlaminar stresses are computed as accurately as the refined zigzag theory.

Slemp, Wesley C. H.↗