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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 451 records · Page 25

All sources NASA NTRS DOE OSTI

DOE OSTI2018

Experimental Measurement of Scatter to Primary Ratio by Localized Primary Modulation in Industrial Computed Radiography

The scatter-to-primary ratio (SPR), can serve as an important parameter for performing the scatter correction procedures or build up factor determination in radiography projections. In this work an experimental technique is presented based on localized primary modulation for direct SPR measurement. As illustrative examples, the SPR is measured for steel and aluminum step wedges to demonstrate the applicability of the presented technique in computed radiography. As a required parameter, the effective transmission factor of the modulator is measured using primary beam stopping concept over a calibration block. This technique has significant advantages such as a straight forward theory, simplified applicability in industrial site conditions, beam hardening consideration as well as automation possibility. The technique works by a single image acquisition, without image data loss in the interested area.

42 ENGINEERING↗

NASA NTRS2005

Verification and Validation: High Charge and Energy (HZE) Transport Codes and Future Development

In the present paper, we give the formalism for further developing a fully three-dimensional HZETRN code using marching procedures but also development of a new Green's function code is discussed. The final Green's function code is capable of not only validation in the space environment but also in ground based laboratories with directed beams of ions of specific energy and characterized with detailed diagnostic particle spectrometer devices. Special emphasis is given to verification of the computational procedures and validation of the resultant computational model using laboratory and spaceflight measurements. Due to historical requirements, two parallel development paths for computational model implementation using marching procedures and Green s function techniques are followed. A new version of the HZETRN code capable of simulating HZE ions with either laboratory or space boundary conditions is under development. Validation of computational models at this time is particularly important for President Bush s Initiative to develop infrastructure for human exploration with first target demonstration of the Crew Exploration Vehicle (CEV) in low Earth orbit in 2008.

Wilson, John W.↗

DOE OSTI2019

Photocatalytic Transformation of Amines to Imines by Meso-Porous Copper Sulfides

We have demonstrated a visible-light-driven catalytic process for amine to imine transformations, using a hydrothermal procedure based mesoporous copper sulfide material. The surface chemistry of this heterogeneously catalyzed process, which was further supported by computational calculations, was determined by the reaction kinetics, and reactive oxygen determination studies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2016

Molecular anions of polydeprotonated naphthalenes: An investigation on the metastability and deprotonation energies using nuclear-charge stabilization method

The dianions and trianions of doubly- and triply-deprotonated naphthalenes are investigated using density functional theory (DFT) computations employing hybrid, long-range, and dispersion corrected exchange-correlation functionals. The investigated polyanionic species are found to be metastable with negative electron affinity and are further treated using a nuclear-charge stabilization method. The tunneling lifetimes of these anionic species were estimated to be a few femtoseconds. Notably, the deprotonated energies (DPEs) of naphthalene leading to the formation of triply deprotonated trianions are observed to be affected by the metastability of the dianions and trianions. For the deprotonation of doubly deprotonated dianions, the DPE calculated using the improved methodology based on the stabilization method is found to be nearly 100 kcal/mol more than that computed using the conventional procedure. Though the various DFT approximations employed are in a good agreement for predicting the lifetimes of the metastable species but in the prediction of electron-affinities and deprotonation energies, the dispersion-corrected DFT-D3 significantly disagrees with the long-range corrected DFT methods employing cam-B3LYP and ωB97XD exchange-correlation functionals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1971

Numerical analysis of shells of revolution.

Summary of some of the major computer programs in existence for the analysis of shells of revolution based on numerical integration and finite-difference procedures. Selected results obtained with several of these programs are presented. A number of significant points is made on the basis of these results.

Fulton, R. E.↗

NASA NTRS1992

Modeling of solid/porous wall boundary conditions for the validation of computational fluid dynamics codes

A computational study has been undertaken to investigate method of modeling solid and porous wall boundary conditions in computational fluid dynamics (CFD) codes. The procedure utilizes experimental measurements at the walls to develop a flow field solution based on the method of singularities. This flow field solution is then imposed as a boundary condition in a CFD simulation of the internal flow field. The effectiveness of this method in describing the boundary conditions at the wind tunnel walls using only sparse experimental measurements has been investigated. Position and refinement of experimental measurement locations required to describe porous wall boundary conditions has also been considered.

Beutner, Thomas J.↗

NASA NTRS1992

Improvement of observer/Kalman filter identification (OKID) by residual whitening

This paper presents a time-domain method to identify a state space model of a linear system and its corresponding observer/Kalman filter from a given set of general input-output data. The identified filter has the properties that its residual is minimized in the least squares sense, orthogonal to the time-shifted versions of itself, and to the given input-output data sequence. The connection between the state space model and a particular auto-regressive moving average description of a linear system is made in terms of the Kalman filter and a deadbeat gain matrix. The procedure first identifies the Markov parameters of an observer system, from which a state space model of the system and the filter gain are computed. The developed procedure is shown to improve results obtained by an existing observer/Kalman filter identification method, which is based on an auto-regressive model without the moving average terms. Numerical and experimental results are presented to illustrate the proposed method.

Phan, Minh↗

NASA NTRS1994

Advanced computer architecture specification for automated weld systems

This report describes the requirements for an advanced automated weld system and the associated computer architecture, and defines the overall system specification from a broad perspective. According to the requirements of welding procedures as they relate to an integrated multiaxis motion control and sensor architecture, the computer system requirements are developed based on a proven multiple-processor architecture with an expandable, distributed-memory, single global bus architecture, containing individual processors which are assigned to specific tasks that support sensor or control processes. The specified architecture is sufficiently flexible to integrate previously developed equipment, be upgradable and allow on-site modifications.

Katsinis, Constantine↗

NASA NTRS1995

Genetic-Algorithm Tool For Search And Optimization

SPLICER computer program used to solve search and optimization problems. Genetic algorithms adaptive search procedures (i.e., problem-solving methods) based loosely on processes of natural selection and Darwinian "survival of fittest." Algorithms apply genetically inspired operators to populations of potential solutions in iterative fashion, creating new populations while searching for optimal or nearly optimal solution to problem at hand. Written in Think C.

Wang, Lui↗

NASA NTRS1994

Investigation of supersonic jet plumes using an improved two-equation turbulence model

Supersonic jet plumes were studied using a two-equation turbulence model employing corrections for compressible dissipation and pressure-dilatation. A space-marching procedure based on an upwind numerical scheme was used to solve the governing equations and turbulence transport equations. The computed results indicate that two-equation models employing corrections for compressible dissipation and pressure-dilatation yield improved agreement with the experimental data. In addition, the numerical study demonstrates that the computed results are sensitive to the effect of grid refinement and insensitive to the type of velocity profiles used at the inflow boundary for the cases considered in the present study.

Lakshmanan, B.↗

NASA NTRSDate not supplied

Single-Scattering Properties of Melting Precipitation for GPM Passive Microwave and Radar Remote Sensing Applications

Over the past two decades, detailed computational simulations of the intricate three dimensional structures of ice-phase crystals and aggregates of those crystals have been developed. The microwave single-scattering properties of these simulated ice particles have been computed and used to improve quantitative estimates of snow rates and to better deRne the vertical structure of snow water contents in deep convective systems, as derived from satellite-borne passive microwave and/or radar remote sensing measurements. The same icephase particles have more recently been used as the starting point for simulations of melting precipitation using computational melting methods. In the current study, a heuristic melting method, as well as a physically-based melting procedure based on smoothed-particle hydrodynamics, are applied to ice particle models to describe the full evolution of the particles from dry snow to liquid drops. The discrete dipole approximation is utilized to calculate the single-scattering properties of the mixed-phase particles throughout the melting process. Then, the properties of the particles are “mapped” into simpliRed microphysical simulations of particle size spectra in the melting layers of stratiform, precipitating clouds. The bulk single-scattering properties of the melting layers and the sensitivity of their properties to modeling assumptions are explored, and the implications for combined radar-radiometer precipitation remote sensing from GPM are discussed.

William S Olson↗

NASA NTRS2001

Blood Pump Development Using Rocket Engine Flow Simulation Technology

This paper reports the progress made towards developing complete blood flow simulation capability in humans, especially in the presence of artificial devices such as valves and ventricular assist devices. Devices modeling poses unique challenges different from computing the blood flow in natural hearts and arteries. There are many elements needed to quantify the flow in these devices such as flow solvers, geometry modeling including flexible walls, moving boundary procedures and physiological characterization of blood. As a first step, computational technology developed for aerospace applications was extended to the analysis and development of a ventricular assist device (VAD), i.e., a blood pump. The blood flow in a VAD is practically incompressible and Newtonian, and thus an incompressible Navier-Stokes solution procedure can be applied. A primitive variable formulation is used in conjunction with the overset grid approach to handle complex moving geometry. The primary purpose of developing the incompressible flow analysis capability was to quantify the flow in advanced turbopump for space propulsion system. The same procedure has been extended to the development of NASA-DeBakey VAD that is based on an axial blood pump. Due to massive computing requirements, high-end computing is necessary for simulating three-dimensional flow in these pumps. Computational, experimental, and clinical results are presented.

Kwak, Dochan↗

NASA NTRS1989

A method for estimating the mass properties of a manipulator by measuring the reaction moments at its base

Emulating on earth the weightlessness of a manipulator floating in space requires knowledge of the manipulator's mass properties. A method for calculating these properties by measuring the reaction forces and moments at the base of the manipulator is described. A manipulator is mounted on a 6-DOF sensor, and the reaction forces and moments at its base are measured for different positions of the links as well as for different orientations of its base. A procedure is developed to calculate from these measurements some combinations of the mass properties. The mass properties identified are not sufficiently complete for computed torque and other dynamic control techniques, but do allow compensation for the gravitational load on the links, and for simulation of weightless conditions on a space emulator. The algorithm has been experimentally demonstrated on a PUMA 260 and used to measure the independent combinations of the 16 mass parameters of the base and three proximal links.

West, Harry↗

NASA NTRS1983

Assessment of a 3-D boundary layer code to predict heat transfer and flow losses in a turbine

The prediction of the complete flow field in a turbine passage is an extremely difficult task due to the complex three dimensional pattern which contains separation and attachment lines, a saddle point and horseshoe vortex. Whereas, in principle such a problem can be solved using full Navier-Stokes equations, in reality methods based on a Navier-Stokes solution procedure encounter difficulty in accurately predicting surface quantities (e.g., heat transfer) due to grid limitations imposed by the speed and size of the existing computers. On the other hand the overall problem is strongly three dimensional and too complex to be analyzed by the current design methods based on inviscid and/or viscous strip theories. Thus there is a strong need for enhancing the current prediction techniques through inclusion of 3-D viscous effects. A potentially simple and cost effective way to achieve this is to use a prediction method based on three dimensional boundary layer (3-DBL) theory. The major objective of this program is to assess the applicability of such a 3-DBL approach for the prediction of heat loads, boundary layer growth, pressure losses and streamline skewing in critical areas of a turbine passage. A brief discussion of the physical problem addressed here along with the overall approach is presented.

Vatsa, V. N.↗

DOE OSTI2016

Coupled Neutron and Gamma Heating Calculation Based on VARIANT Nodal Transport Method

Accurate determination of temperature distributions in fuel pins and duct walls is essential for fuel-pin performance and assembly bowing analyses. Currently, the multi-assembly, sub-channel analysis code SE2-ANL is used in thermalhydraulic analysis of sodium cooled fast reactors (SFR). SE2- ANL is interfaced with the DIF3D/GAMSOR/DIF3D procedure for coupled neutron and gamma heating calculations, developed at Argonne National Laboratory (ANL). In this procedure, the neutron flux distribution is first calculated using the finite-difference diffusion theory option of the DIF3D code. Using the neutron flux solution, the GAMSOR code computes the gamma source distribution for the subsequent gamma flux calculation with DIF3D. However, in the current heating calculation scheme, the neutron and gamma flux calculations are limited to six triangular meshes per hexagonal assembly. In addition, the pin power distributions are estimated by assuming that the power distribution within an assembly is separable in the radial and axial directions. In each assembly, the axial power profile is obtained by averaging the power densities of six triangular meshes at each axial mesh interval. The radial power profile is evaluated at a single axial mesh (e.g., at the core mid-plane) by approximating the neutron and gamma flux distributions by a linear or quadratic polynomial of two variables x and y, depending on the polynomial order specified by the user. The coefficients of the linear and quadratic polynomials are determined by the least squares fit of six and 24 triangular mesh fluxes, respectively. Furthermore, the total heat generation rate in an assembly duct wall is simply determined by a user-specified fraction of the total gamma heating within that assembly. With the advancement of computer technology, the nodal transport theory code VARIANT is routinely used in core design analyses of SFR instead of DIF3D. It is therefore necessary to develop a new heating calculation procedure based on VARIANT neutron and gamma transport calculations. In this study, a new, coupled neutron and gamma heating calculation scheme has been developed to determine the pin power distributions more accurately by eliminating the aforementioned limitations of the current procedure. For this, the GAMSOR code has been extended to generate the intra-nodal gamma source distribution to be consistent with the trial functions of VARIANT. In the new heating calculation procedure, the neutron flux distribution is determined first by solving an eigenvalue transport problem using VARIANT. The obtained neutron flux is then used in GAMSOR to calculate the gamma source distribution. Using this gamma source distribution, the gamma flux distribution is determined by solving a fixed-source transport problem using VARIANT again. Using the computed neutron and gamma flux distributions, the power distribution in each fuel pin and duct wall is determined using a new utility code CURVE, which has been developed to evaluate the VARIANT flux solution at each fuel pin position and along the duct mid-wall. For each pin segment contained in a VARIANT node, the axial power shape is represented as a quadratic profile. The performance of the new heating calculation scheme based on VARIANT transport solutions has been tested against the existing method of SE2-ANL, using the ABR-1000 metal core design. The gamma source distribution and the assembly, fuel pin and duct wall power distributions were calculated and compared. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2013

Multi-Objective Optimization of a Wrought Magnesium Alloy for High Strength and Ductility

An optimization technique is coupled with crystal plasticity based finite element (CPFE) computations to aid the microstructural design of a wrought magnesium alloy for improved strength and ductility. The initial microstructure consists of a collection of sub-micron sized grains containing deformation twins. The variables used in the simulations are crystallographic texture, and twin spacing within the grains. It is assumed that plastic deformation occurs mainly by dislocation slip on two sets of slip systems classified as hard and soft modes. The hard modes are those slip systems that are inclined to the twin planes and the soft mode consists of dislocation glide along the twin plane. The CPFE code calculates the stress-strain response of the microstructure as a function of the microstructural parameters and the length-scale of the features. A failure criterion based on a critical shear strain and a critical hydrostatic stress is used to define ductility. The optimization is based on the sequential generation of an initial population defined by the texture and twin spacing variables. The CPFE code and the optimizer are coupled in parallel so that new generations are created and analyzed dynamically. In each successive generation, microstructures that satisfy at least 90% of the mean strength and mean ductility in the current generation are retained. Multiple generation runs based on the above procedure are carried out in order to obtain maximum strength-ductility combinations. The implications of the computations for the design of a wrought magnesium alloy are discussed. Research sponsored by the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the U. S. Department of Energy.

Radhakrishnan, Balasubramaniam↗

DOE OSTI2021

Fast and robust all-electron density functional theory calculations in solids using orthogonalized enriched finite elements

Here, we present a computationally efficient approach to perform systematically convergent real-space all-electron Kohn-Sham density functional theory calculations for solids using an enriched finite element (FE) basis. The enriched FE basis is constructed by augmenting the classical FE basis with atom-centered numerical basis functions, comprising of atomic solutions to the Kohn-Sham problem. Notably, to improve the conditioning, we orthogonalize the enrichment functions with respect to the classical FE basis, without sacrificing the locality of the resultant basis. In addition to improved conditioning, this orthogonalization procedure also renders the overlap matrix block diagonal, greatly simplifying its inversion. Subsequently, we use a Chebyshev polynomial based filtering technique to efficiently compute the occupied eigenspace in each self-consistent field iteration. We demonstrate the accuracy and efficiency of the proposed approach on periodic unit cells and supercells. The benchmark studies show a staggering 130× speedup of the orthogonalized enriched FE basis over the classical FE basis. We also present a comparison of the orthogonalized enriched FE basis with the linearized augmented plane-wave + local orbitals basis, both in terms of accuracy and efficiency. Notably, we demonstrate that the orthogonalized enriched FE basis can handle large system sizes of ~10 000 electrons. Finally, we observe good parallel scalability of our implementation with 92% efficiency at 22× speedup for a system with 620 electrons

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1987

Reduced complexity structural modeling for automated airframe synthesis

A procedure is developed for the optimum sizing of wing structures based on representing the built-up finite element assembly of the structure by equivalent beam models. The reduced-order beam models are computationally less demanding in an optimum design environment which dictates repetitive analysis of several trial designs. The design procedure is implemented in a computer program requiring geometry and loading information to create the wing finite element model and its equivalent beam model, and providing a rapid estimate of the optimum weight obtained from a fully stressed design approach applied to the beam. The synthesis procedure is demonstrated for representative conventional-cantilever and joined wing configurations.

Hajela, Prabhat↗