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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
NASA NTRS1993

Nonperturbative methods in HZE ion transport

A nonperturbative analytic solution of the high charge and energy (HZE) Green's function is used to implement a computer code for laboratory ion beam transport. The code is established to operate on the Langley Research Center nuclear fragmentation model used in engineering applications. Computational procedures are established to generate linear energy transfer (LET) distributions for a specified ion beam and target for comparison with experimental measurements. The code is highly efficient and compares well with the perturbation approximations.

Wilson, John W.↗
NASA NTRS1994

On the physics of waves in the solar atmosphere: Wave heating and wind acceleration

This paper presents work performed on the generation and physics of acoustic waves in the solar atmosphere. The investigators have incorporated spatial and temporal turbulent energy spectra in a newly corrected version of the Lighthill-Stein theory of acoustic wave generation in order to calculate the acoustic wave energy fluxes generated in the solar convective zone. The investigators have also revised and improved the treatment of the generation of magnetic flux tube waves, which can carry energy along the tubes far away from the region of their origin, and have calculated the tube wave energy fluxes for the sun. They also examine the transfer of the wave energy originated in the solar convective zone to the outer atmospheric layers through computation of wave propagation and dissipation in highly nonhomogeneous solar atmosphere. These waves may efficiently heat the solar atmosphere and the heating will be especially significant in the chromospheric network. It is also shown that the role played by Alfven waves in solar wind acceleration and coronal hole heating is dominant. The second part of the project concerned investigation of wave propagation in highly inhomogeneous stellar atmospheres using an approach based on an analytic tool developed by Musielak, Fontenla, and Moore. In addition, a new technique based on Dirac equations has been developed to investigate coupling between different MHD waves propagating in stratified stellar atmospheres.

Musielak, Z. E.↗
NASA NTRS1993

On the physics of waves in the solar atmosphere: Wave heating and wind acceleration

This paper presents work performed on the generation and physics of acoustic waves in the solar atmosphere. The investigators have incorporated spatial and temporal turbulent energy spectra in a newly corrected version of the Lighthill-Stein theory of acoustic wave generation in order to calculate the acoustic wave energy fluxes generated in the solar convective zone. The investigators have also revised and improved the treatment of the generation of magnetic flux tube waves, which can carry energy along the tubes far away from the region of their origin, and have calculated the tube energy fluxes for the sun. They also examine the transfer of the wave energy originated in the solar convective zone to the outer atmospheric layers through computation of wave propagation and dissipation in highly nonhomogeneous solar atmosphere. These waves may efficiently heat the solar atmosphere and the heating will be especially significant in the chromospheric network. It is also shown that the role played by Alfven waves in solar wind acceleration and coronal hole heating is dominant. The second part of the project concerned investigation of wave propagation in highly inhomogeneous stellar atmospheres using an approach based on an analytic tool developed by Musielak, Fontenla, and Moore. In addition, a new technique based on Dirac equations has been developed to investigate coupling between different MHD waves propagating in stratified stellar atmospheres.

Musielak, Z. E.↗
NASA NTRS1999

Evaluation of Spacecraft Shielding Effectiveness for Radiation Protection

The potential for serious health risks from solar particle events (SPE) and galactic cosmic rays (GCR) is a critical issue in the NASA strategic plan for the Human Exploration and Development of Space (HEDS). The excess cost to protect against the GCR and SPE due to current uncertainties in radiation transmission properties and cancer biology could be exceedingly large based on the excess launch costs to shield against uncertainties. The development of advanced shielding concepts is an important risk mitigation area with the potential to significantly reduce risk below conventional mission designs. A key issue in spacecraft material selection is the understanding of nuclear reactions on the transmission properties of materials. High-energy nuclear particles undergo nuclear reactions in passing through materials and tissue altering their composition and producing new radiation types. Spacecraft and planetary habitat designers can utilize radiation transport codes to identify optimal materials for lowering exposures and to optimize spacecraft design to reduce astronaut exposures. To reach these objectives will require providing design engineers with accurate data bases and computationally efficient software for describing the transmission properties of space radiation in materials. Our program will reduce the uncertainty in the transmission properties of space radiation by improving the theoretical description of nuclear reactions and radiation transport, and provide accurate physical descriptions of the track structure of microscopic energy deposition.

Cucinotta, Francis A.↗
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 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 NTRS1982

Thermal radiation view factor: Methods, accuracy and computer-aided procedures

The computer aided thermal analysis programs which predicts the result of predetermined acceptable temperature range prior to stationing of these orbiting equipment in various attitudes with respect to the Sun and the Earth was examined. Complexity of the surface geometries suggests the use of numerical schemes for the determination of these viewfactors. Basic definitions and standard methods which form the basis for various digital computer methods and various numerical methods are presented. The physical model and the mathematical methods on which a number of available programs are built are summarized. The strength and the weaknesses of the methods employed, the accuracy of the calculations and the time required for computations are evaluated. The situations where accuracies are important for energy calculations are identified and methods to save computational times are proposed. Guide to best use of the available programs at several centers and the future choices for efficient use of digital computers are included in the recommendations.

Kadaba, P. V.↗
NASA NTRS2012

A New and General Formulation of the Parametric HFGMC Micromechanical Method for Three-Dimensional Multi-Phase Composites

The recent two-dimensional (2-D) parametric formulation of the high fidelity generalized method of cells (HFGMC) reported by the authors is generalized for the micromechanical analysis of three-dimensional (3-D) multiphase composites with periodic microstructure. Arbitrary hexahedral subcell geometry is developed to discretize a triply periodic repeating unit-cell (RUC). Linear parametric-geometric mapping is employed to transform the arbitrary hexahedral subcell shapes from the physical space to an auxiliary orthogonal shape, where a complete quadratic displacement expansion is performed. Previously in the 2-D case, additional three equations are needed in the form of average moments of equilibrium as a result of the inclusion of the bilinear terms. However, the present 3-D parametric HFGMC formulation eliminates the need for such additional equations. This is achieved by expressing the coefficients of the full quadratic polynomial expansion of the subcell in terms of the side or face average-displacement vectors. The 2-D parametric and orthogonal HFGMC are special cases of the present 3-D formulation. The continuity of displacements and tractions, as well as the equilibrium equations, are imposed in the average (integral) sense as in the original HFGMC formulation. Each of the six sides (faces) of a subcell has an independent average displacement micro-variable vector which forms an energy-conjugate pair with the transformed average-traction vector. This allows generating symmetric stiffness matrices along with internal resisting vectors for the subcells which enhances the computational efficiency. The established new parametric 3-D HFGMC equations are formulated and solution implementations are addressed. Several applications for triply periodic 3-D composites are presented to demonstrate the general capability and varsity of the present parametric HFGMC method for refined micromechanical analysis by generating the spatial distributions of local stress fields. These applications include triply periodic composites with inclusions in the form of a cavity, spherical inclusion, ellipsoidal inclusion, discontinuous aligned short fiber. A 3-D repeating unit-cell for foam material composite is simulated.

Haj-Ali, Rami↗
NASA NTRS1982

A Methology for Assessing the Regional Transportation Energy Demands of Different Spatial Residential Development Scenarios: a Case Study for the Upper Housatonic River Basin, Massachusetts

A method is suggested whereby regional landscape planning efforts can be aided by the use of a geographic information system to determine sites for more energy efficient residential and mixed use developments within a study area. The location of land parcels suited for residential and mixed land use developments in the Upper Housatonic River Basin Study Area in Berkshire County, Massachusetts is described as well as the three development options. Significant steps in the procedure are discussed and the computation of the transportation energy requirement is elaborated.

Oski, J. A.↗
NASA NTRS2011

Development of a Real-Time Pulse Processing Algorithm for TES-Based X-Ray Microcalorimeters

We report here a real-time pulse processing algorithm for superconducting transition-edge sensor (TES) based x-ray microcalorimeters. TES-based. microca1orimeters offer ultra-high energy resolutions, but the small volume of each pixel requires that large arrays of identical microcalorimeter pixe1s be built to achieve sufficient detection efficiency. That in turn requires as much pulse processing as possible must be performed at the front end of readout electronics to avoid transferring large amounts of data to a host computer for post-processing. Therefore, a real-time pulse processing algorithm that not only can be implemented in the readout electronics but also achieve satisfactory energy resolutions is desired. We have developed an algorithm that can be easily implemented. in hardware. We then tested the algorithm offline using several data sets acquired with an 8 x 8 Goddard TES x-ray calorimeter array and 2x16 NIST time-division SQUID multiplexer. We obtained an average energy resolution of close to 3.0 eV at 6 keV for the multiplexed pixels while preserving over 99% of the events in the data sets.

Tan, Hui↗
NASA NTRS1976

Beam efflux measurements

Measurements have been made of the high energy thrust ions, (Group I), high angle/high energy ions (Group II), and high angle/low energy ions (Group IV) of a mercury electron bombardment thruster in the angular divergence range from 0 deg to greater than 90 deg. The measurements have been made as a function of thrust ion current, propellant utilization efficiency, bombardment discharge voltage, screen and accelerator grid potential (accel-decel ratio) and neutralizer keeper potential. The shape of the Group IV (charge exchange) ion plume has remained essentially fixed within the range of variation of the engine operation parameters. The magnitude of the charge exchange ion flux scales with thrust ion current, for good propellant utilization conditions. For fixed thrust ion current, charge exchange ion flux increases for diminishing propellant utilization efficiency. Facility effects influence experimental accuracies within the range of propellant utilization efficiency used in the experiments. The flux of high angle/high energy Group II ions is significantly diminished by the use of minimum decel voltages on the accelerator grid. A computer model of charge exchange ion production and motion has been developed. The program allows computation of charge exchange ion volume production rate, total production rate, and charge exchange ion trajectories for "genuine" and "facilities effects" particles. In the computed flux deposition patterns, the Group I and Group IV ion plumes exhibit a counter motion.

Komatsu, G. K.↗
NASA NTRS2009

Innovative Tools Advance Revolutionary Weld Technique

The iconic, orange external tank of the space shuttle launch system not only contains the fuel used by the shuttle s main engines during liftoff but also comprises the shuttle s backbone, supporting the space shuttle orbiter and solid rocket boosters. Given the tank s structural importance and the extreme forces (7.8 million pounds of thrust load) and temperatures it encounters during launch, the welds used to construct the tank must be highly reliable. Variable polarity plasma arc welding, developed for manufacturing the external tank and later employed for building the International Space Station, was until 1994 the best process for joining the aluminum alloys used during construction. That year, Marshall Space Flight Center engineers began experimenting with a relatively new welding technique called friction stir welding (FSW), developed in 1991 by The Welding Institute, of Cambridge, England. FSW differs from traditional fusion welding in that it is a solid-state welding technique, using frictional heat and motion to join structural components without actually melting any of the material. The weld is created by a shouldered pin tool that is plunged into the seam of the materials to be joined. The tool traverses the line while rotating at high speeds, generating friction that heats and softens but does not melt the metal. (The heat produced approaches about 80 percent of the metal s melting temperature.) The pin tool s rotation crushes and stirs the plasticized metal, extruding it along the seam as the tool moves forward. The material cools and consolidates, resulting in a weld with superior mechanical properties as compared to those weld properties of fusion welds. The innovative FSW technology promises a number of attractive benefits. Because the welded materials are not melted, many of the undesirables associated with fusion welding porosity, cracking, shrinkage, and distortion of the weld are minimized or avoided. The process is more energy efficient, safe (no toxic smoke or shielding gas, liquid metal splatter, arcing, dangerous voltage, or radiation), and environmentally sound (no consumables, fumes, or noise) than fusion welding. Under computer control, an automated FSW machine can create welds with high reproducibility, improving efficiency and overall quality of manufactured materials. The process also allows for welding dissimilar metals as well as those metals considered to be "unweldable" such as the 7xxx series aluminum alloys. Its effectiveness and versatility makes FSW useful for aerospace, rail, automotive, marine, and military applications. A downside to FSW, however, is the keyhole opening left in the weld when the FSW pin tool exits the weld joint. This is a significant problem when using the FSW process to join circumferential structures such as pipes and storage containers. Furthermore, weld joints that taper in material thickness also present problems when using the conventional FSW pin tool, because the threaded pin rotating within the weld joint material is a fixed length. There must be capability for the rotating pin to both increase and decrease in length in real time while welding the tapered material. (Both circumferential and tapered thickness weldments are found in the space shuttle external tank.) Marshall engineers addressed both the keyhole and tapered material thickness problems by developing the auto-adjustable pin tool. This unique piece of equipment automatically withdraws the pin into the tool s shoulder for keyhole closeout. In addition, the auto-adjustable pin tool retracts, or shortens, the rotating pin while welding a weld joint that tapers from one thickness to a thinner thickness. This year, the impact of the Marshall innovation was recognized with an "Excellence in Technology Transfer Award" from the Federal Laboratory Consortium.

Source record↗
NASA NTRS1991

Monte Carlo analysis of dissociation and recombination behind strong shock waves in nitrogen

Computations are presented for the relaxation zone behind strong, 1D shock waves in nitrogen. The analysis is performed with the direct simulation Monte Carlo method (DSMC). The DSMC code is vectorized for efficient use on a supercomputer. The code simulates translational, rotational and vibrational energy exchange and dissociative and recombinative chemical reactions. A model is proposed for the treatment of three body-recombination collisions in the DSMC technique which usually simulates binary collision events. The model improves previous models because it can be employed with a large range of chemical-rate data, does not introduce into the flow field troublesome pairs of atoms which may recombine upon further collision (pseudoparticles) and is compatible with the vectorized code. The computational results are compared with existing experimental data. It is shown that the derivation of chemical-rate coefficients must account for the degree of vibrational nonequilibrium in the flow. A nonequilibrium-chemistry model is employed together with equilibrium-rate data to compute the flow in several different nitrogen shock waves.

Boyd, I. D.↗
NASA NTRS1991

A parallel vectorized implementation of triple excitations in CCSD(T) - Application to the binding energies of the AlH3, AlH2F, AlHF2 and AlF3 dimers

An efficient method for various noniterative estimates of connected triple excitations in coupled-cluster theory is outlined and related to a similar expression occurring in Moller-Plesset perturbation theory. The method is highly vectorized and capable of utilizing multiple processors on a shared-memory machine, leading to computational rates in excess of one billion floating-point operations per second on four processors of a CRAY Y-MP. Using the new procedure, the binding energies of the D(2h) diborane-type dimers of AlH3, AlH2F, AlHF2, and AlF3 have been determined to be 32, 40, 20, and 47 kcal/mol, respectively. For Al2F6, the correlation procedure includes 232 molecular orbitals and over 1.5 x 10 to the 6th single and double coupled-cluster amplitudes, effectively accounting for over 2 x 10 to the 9th connected triple excitations.

Rendell, Alistair P.↗
NASA NTRS2008

Neutron Transport Models and Methods for HZETRN and Coupling to Low Energy Light Ion Transport

Exposure estimates inside space vehicles, surface habitats, and high altitude aircraft exposed to space radiation are highly influenced by secondary neutron production. The deterministic transport code HZETRN has been identified as a reliable and efficient tool for such studies, but improvements to the underlying transport models and numerical methods are still necessary. In this paper, the forward-backward (FB) and directionally coupled forward-backward (DC) neutron transport models are derived, numerical methods for the FB model are reviewed, and a computationally efficient numerical solution is presented for the DC model. Both models are compared to the Monte Carlo codes HETCHEDS and FLUKA, and the DC model is shown to agree closely with the Monte Carlo results. Finally, it is found in the development of either model that the decoupling of low energy neutrons from the light ion (A<4) transport procedure adversely affects low energy light ion fluence spectra and exposure quantities. A first order correction is presented to resolve the problem, and it is shown to be both accurate and efficient.

Blattnig, S.R.↗
NASA NTRS1999

A Shell/3D Modeling Technique for Delaminations in Composite Laminates

A shell/3D modeling technique was developed for which a local solid finite element model is used only in the immediate vicinity of the delamination front. The goal was to combine the accuracy of the full three-dimensional solution with the computational efficiency of a plate or shell finite element model. Multi-point constraints provide a kinematically compatible interface between the local 3D model and the global structural model which has been meshed with plate or shell finite elements. For simple double cantilever beam (DCB), end notched flexure (ENF), and single leg bending (SLB) specimens, mixed mode energy release rate distributions were computed across the width from nonlinear finite element analyses using the virtual crack closure technique. The analyses served to test the accuracy of the shell/3D technique for the pure mode I case (DCB), mode II case (ENF) and a mixed mode I/II case (SLB). Specimens with a unidirectional layup where the delamination is located between two 0 plies, as well as a multidirectional layup where the delamination is located between two non-zero degree plies, were simulated. For a local 3D model extending to a minimum of about three specimen thicknesses in front of and behind the delamination front, the results were in good agreement with mixed mode strain energy release rates obtained from computations where the entire specimen had been modeled with solid elements. For large built-up composite structures modeled with plate elements, the shell/3D modeling technique offers a great potential, since only a relatively small section in the vicinity of the delamination front needs to be modeled with solid elements.

Krueger, Ronald↗
NASA NTRS1983

Radiation exchange in large space structures and frames

The analysis of radiation heat transfer is determined by the need to determine the geometrical quantity, F(ij), which is commonly called the view factor, and which represents the fraction of energy leaving surface i which strikes surface j. The present investigation shows that the use of a rotating plane to model a one-dimensional radiation element is both computationally efficient and accurate. Because of the reduced computational cost of this element, radiation view factors for complex structures can be calculated directly. Under some conditions, the characteristics of the one-dimensional element may lead to a loss in accuracy when it is used to model obstructing cylinders. In cases in which the element is too close to the radiating surfaces, curved surfaces must be represented by a collection of flat planes. However, it appears that as long as the one-dimensional element is more than 5 diameters from the other surfaces, its use is valid.

Emery, A. F.↗