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At least 1,261 records · Page 70

QMCPACK v3.17.1

QMCPACK is an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids with full performance portable GPU support.

Kent, Paul R. C. [Oak Ridge National Laboratory] (↗

Continuum gyrokinetic simulations of edge plasmas in single-null geometries

The first continuum gyrokinetic calculations of electrostatic ion scale turbulence are presented for the case of a diverted tokamak geometry. The simulation model solves the long-wavelength limit of the full-F gyrokinetic equation for ion species coupled to the quasi-neutrality equation for electrostatic potential variations, where a fluid model is used for an electron response. Furthermore, in order to facilitate simulations of highly-anisotropic microturbulence in the presence of strong magnetic shear and a magnetic X-point, a numerical algorithm utilizing a locally field-aligned multiblock coordinate system has been developed and implemented in the 5D finite-volume code COGENT. In this approach, the toroidal direction is divided into blocks, such that within each block, the cells are field-aligned and a non-matching grid interface is allowed at block boundaries. The toroidal angle corresponds to the “coarse” field-aligned coordinate, whereas the poloidal cross section, comprised of the radial and poloidal directions, is finely gridded to resolve short-scale perpendicular turbulence structures and to support accurate re-mapping (interpolation) at block boundaries. The 5D simulations explore cross-separatrix ion scale turbulence in the presence of a self-consistent radial electric field and address the effects of magnetic-shear stabilization in the X-point region.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Applications of the Navier-Stokes equations to wings and complex configurations using a zonal approach

The simulation of a transonic viscous flow over a series of 3-D configurations, ranging from isolated wings to relatively complete aircraft, is presented. A fast, diagonalized Beam-Warming algorithm is used in conjunction with a zonal approach to solve the Euler/Navier-Stokes equations for these applications. The computer code, called Transonic Navier-Stokes, uses four zones for wing configurations and up to 19 zones for more complete aircraft configurations. For the inner zones adjacent to no-slip surfaces, the thin-layer Navier-Stokes equations are solved, while in the outer zones the Euler equations are solved. Numerical results are presented and compared with experiment (when available) for wing calculations and a more complete configuration based on the F-16A aircraft.

Flores, Jolen↗

Recent Results in the Study of Static Ground Effect Using an Inviscid Unstructured Grid Code

The TetrUSS (Tetrahedral Unstructured Software System), developed at NASA LaRC, enables one to take a vehicle from its surface definition to its analyzed solution. The important parts are the shape definition, accomplished in GRIDTOOL; the initial front and volume grid generation in VGRID; the flow solver USM3D, and the various ways used to post-process the computational results.

Yaros, Steven F.↗

The LSU-Argonne conversion electron spectrometer: A new detector for the X-Array and SATURN decay station

In this study, a new conversion electron detector has been commissioned at the ATLAS/ CARIBU facility at Argonne National Laboratory. The LSU-Argonne Conversion Electron Spectrometer (LACES) is a LN 2 -cooled Si(Li) detector system designed to be incorporated into a decay station that comprises the dedicated HPGe clover array with a box geometry (X -Array) and the Scintillator and Tape Using Radioactive Nuclei (SATURN) device. This integration enables simultaneous measurements of conversion electrons and gamma-rays in decay experiments, yielding novel information on transition multipolarities, electric monopole transitions, and isomeric states that decay mostly via conversion electrons. A measurement of the energy resolution of LACES yielded 2.3-keV FWHM at 975 keV for electrons and 1.3-keV FWHM at 75 keV for X-rays. A detailed study of the absolute detection efficiency (at 5 mm from the source) was performed, where this quantity was determined experimentally in the range of electron transition energies between 25.5 keV and 1047.8 keV and subsequently simulated using the GEANT4 code. Measurement and simulations are found to be in excellent agreement. A precise characterization, for this type of detector system, of the absolute detection efficiency for such a wide energy range is reported for the first time.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Advanced calculations of X-ray spectroscopies with FEFF10 and Corvus

The real-space Green's function code FEFF has been extensively developed and used for calculations of X-ray and related spectra, including X-ray absorption (XAS), X-ray emission (XES), inelastic X-ray scattering, and electron energy-loss spectra. The code is particularly useful for the analysis and interpretation of the XAS fine-structure (EXAFS) and the near-edge structure (XANES) in materials throughout the periodic table. Nevertheless, many applications, such as non-equilibrium systems, and the analysis of ultra-fast pump–probe experiments, require extensions of the code including finite-temperature and auxiliary calculations of structure and vibrational properties. To enable these extensions, we have developed in tandem a new version FEFF10 and new FEFF -based workflows for the Corvus workflow manager, which allow users to easily augment the capabilities of FEFF10 via auxiliary codes. This coupling facilitates simplified input and automated calculations of spectra based on advanced theoretical techniques. The approach is illustrated with examples of high-temperature behavior, vibrational properties, many-body excitations in XAS, super-heavy materials, and fits of calculated spectra to experiment.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Continuum Absorption Coefficient of Atoms and Ions

The rate of heat transfer to the heat shield of a Jupiter probe has been estimated to be one order of magnitude higher than any previously experienced in an outer space exploration program. More than one-third of this heat load is due to an emission of continuum radiation from atoms and ions. The existing computer code for calculating the continuum contribution to the total load utilizes a modified version of Biberman's approximate method. The continuum radiation absorption cross sections of a C - H - O - N ablation system were examined in detail. The present computer code was evaluated and updated by being compared with available exact and approximate calculations and correlations of experimental data. A detailed calculation procedure, which can be applied to other atomic species, is presented. The approximate correlations can be made to agree with the available exact and experimental data.

Armaly, B. F.↗

High-altitude-resolution stratospheric measurements with the Arecibo 2380-MHz radar

The 2380-MHz planetary radar of the Arecibo Observatory and the 30-m interferometer antenna at Higuialles, Puerto Rico, have been instrumented as a bistatic radar for stratospheric turbulence research studies. The average power of the transmitter is 400 kW, and it uses the 300-m Arecibo spherical reflector. A vertical resolution of 30 m has been achieved by means of a novel continuous pseudorandom phase coding scheme. Preliminary results obtained with the system are presented. The thickness and internal structure of turbulent stratospheric layers have been resolved for the first time. The potential of the instrument in assessing the role of turbulence in the vertical transport of tracers, contaminants, and momentum is discussed.

Woodman, R. F.↗

Comprehensive silicon solar cell computer modeling

The development of an efficient, comprehensive Si solar cell modeling program that has the capability of simulation accuracy of 5 percent or less is examined. A general investigation of computerized simulation is provided. Computer simulation programs are subdivided into a number of major tasks: (1) analytical method used to represent the physical system; (2) phenomena submodels that comprise the simulation of the system; (3) coding of the analysis and the phenomena submodels; (4) coding scheme that results in efficient use of the CPU so that CPU costs are low; and (5) modularized simulation program with respect to structures that may be analyzed, addition and/or modification of phenomena submodels as new experimental data become available, and the addition of other photovoltaic materials.

Lamorte, M. F.↗

Numerical and experimental determination of secondary separation on delta wings in subsonic flow

A quasi-three-dimensional boundary layer method for conical inviscid flows is presented. The model was developed to characterize the flow fields over slender delta wings, particularly the shed vortex sheet. A steady, incompressible, laminar boundary layer is assumed and a solution is obtained with the Smith (1966) finite difference code. Predictions are compared with oil flow patterns and surface pressure measurements for 74 and 80 deg delta wings at 0-20 deg angles of attack. The model is capable of accurately predicting the secondary separation lines. Inviscid velocities derived from panel methods lead, however, to inaccurate pressure distributions.

Dejarnette, F. R.↗

Low density gas dynamic wall boundary conditions

Low density nozzles or large expansion ratio nozzles used in space experience rarefaction effects near their exit in the form of velocity slip and temperature jump at the walls. In addition, the boundary layers become very thick and there is a very strong viscous/inviscid interaction. For these reasons no existing design technique has been found to accurately predict the nozzle flow properties up to the nozzle exit. The objective of this investigation was to examine the slip boundary conditions and formulate them in a form appropriate for use with a full Navier-Stokes numerical code. The viscous/inviscid interaction would automatically be accounted for by using a compressible Navier-Stokes code. Through examination of the interaction of molecules with solid surfaces, a model for the distribution function of the reflected molecules has been determined and this distribution function has been used to develop a new slip boundary condition that can be shown to yield more realistic surface boundary conditions.

Collins, F. G.↗

On the optimality of code options for a universal noiseless coder

A universal noiseless coding structure was developed that provides efficient performance over an extremely broad range of source entropy. This is accomplished by adaptively selecting the best of several easily implemented variable length coding algorithms. Custom VLSI coder and decoder modules capable of processing over 20 million samples per second are currently under development. The first of the code options used in this module development is shown to be equivalent to a class of Huffman code under the Humblet condition, other options are shown to be equivalent to the Huffman codes of a modified Laplacian symbol set, at specified symbol entropy values. Simulation results are obtained on actual aerial imagery, and they confirm the optimality of the scheme. On sources having Gaussian or Poisson distributions, coder performance is also projected through analysis and simulation.

Yeh, Pen-Shu↗

Use of the PARC code for generic NASP nozzles operating at off-design transonic conditions

A three-dimensional Navier-Stokes solver, PARC3D, has been investigated for applications to the wind tunnel testing of high-speed nozzle configurations, particularly with extended expansion ramps, operating at transonic off-design conditions. Numerous cases have been run and compared with existing wind tunnel data. The code has been shown to be an efficient and robust tool in the analysis of complex nozzle configurations whose flows are substantially determined by three-dimensional effects. Although the method requires that a grid, generated independently of the code, be supplied to it, the robust nature of the code does not require that this grid be excessively detailed, nor does it seem to require that the grid be fine-tuned for individual cases. The directness and flexibility of the boundary condition specifications allow a variety of configurations and flow conditions to be handled very efficiently.

Yaros, Steven F.↗

Contribution of High Charge and Energy (HZE) Ions During Solar-Particle Event of September 29, 1989

The solar-particle event (SPE) of September 29, 1989, produced an iron-rich spectrum with energies approaching 1 A GeV with an approximate spectral slope parameter of 2.5. These high charge and energy (HZE) ions challenge conventional methods of shield design and assessment of astronaut risks. In the past, shield design and risk assessment have relied on proton shielding codes and biological response models derived from X-ray and neutron exposure data. Because the HZE spectra decline rapidly with energy and HZE attenuation in materials is limited by their penetration power, details of the mass distributions about the sensitive tissues (shielding materials and the astronaut's body) are important determining factors of the exposure levels and distributions of linear energy transfer. Local tissue environments during the SPE of September 29, 1989, with its f= components are examined to analyze the importance of these ions to human SPE exposure. Typical space suit and lightly shielded structures leave significant contributions from HZE components to certain critical body tissues and have important implications on the models for risk assessment. A heavily shielded equipment room of a space vehicle or habitat requires knowledge of the breakup of these ions into lighter components, including neutrons, for shield design specifications.

Kim, Myung-Hee Y.↗

Analysis of a Channeled Centerbody Supersonic Inlet for F-15B Flight Research

The Propulsion Flight Test Fixture at the NASA Dryden Flight Research Center is a unique test platform available for use on the NASA F-15B airplane, tail number 836, as a modular host for a variety of aerodynamics and propulsion research. The first experiment that is to be flown on the test fixture is the Channeled Centerbody Inlet Experiment. The objectives of this project at Dryden are twofold: 1) flight evaluation of an innovative new approach to variable geometry for high-speed inlets, and 2) flight validation of channeled inlet performance prediction by complex computational fluid dynamics codes. The inlet itself is a fixed-geometry version of a mixed-compression, variable-geometry, supersonic in- let developed by TechLand Research, Inc. (North Olmsted, Ohio) to improve the efficiency of supersonic flight at off-nominal conditions. The concept utilizes variable channels in the centerbody section to vary the mass flow of the inlet, enabling efficient operation at a range of flight conditions. This study is particularly concerned with the starting characteristics of the inlet. Computational fluid dynamics studies were shown to align well with analytical predictions, showing the inlet to remain unstarted as designed at the primary test point of Mach 1.5 at an equivalent pressure altitude of 29,500 ft local conditions. Mass-flow-related concerns such as the inlet start problem, as well as inlet efficiency in terms of total pressure loss, are assessed using the flight test geometry.

Ratnayake, Nalin A.↗

Toward Improved CFD Predictions of Slender Airframe Aerodynamics Using the F-16XL Aircraft (CAWAPI-2)

A coordinated project has been underway to improve CFD predictions of slender airframe aerodynamics. The work is focused on two flow conditions and leverages a unique flight data set obtained with an F-16XL aircraft. These conditions, a low-speed high angleof- attack case and a transonic low angle-of-attack case, were selected from a prior prediction campaign wherein the CFD failed to provide acceptable results. In this paper the background, objectives and approach to the current project are presented. The work embodies predictions from multiple numerical formulations that are contributed from multiple organizations, and the context of this campaign to other multi-code, multiorganizational efforts is included. The relevance of this body of work toward future supersonic commercial transport concepts is also briefly addressed.

Luckring, James M.↗

Evolving Material Porosity on an Additive Manufacturing Simulation with the Generalized Method of Cells

The effect of material porosity on final part distortion and residual stresses in a selective laser sintering manufacturing simulation is presented here. A time-dependent thermomechanical model is used with the open-source FEA software CalculiX. Effective homogenized material properties for Inconel 625 are precomputed using NASA’s Micromechanics Analysis Code with Generalized Method of Cells (MAC/GMC). The evolving porosity of the material is estimated with each pass of the laser beam during simulation runtime. A comparison with a homogenous model and the evolving model shows that the evolving porous model predicts larger distortions with greater residual stresses.

Silva, Luis F.↗

Effect of Material Porosity on Residual Stress in an Additive Manufacturing Simulation using the Generalized Method of Cells

The effect of material porosity on final part distortion and residual stresses in a selective laser sintering manufacturing simulation is presented here. A time-dependent thermo-mechanical model is used with the open-source FEA software CalculiX. Effective homogenized material properties for Inconel 625 are precomputed using NASA’s Micromechanics Analysis Code with the Generalized Method of Cells. The evolving porosity of the material is estimated with each pass of the laser beam during simulation runtime. A comparison with a homogenous model and the evolving model shows that the model with evolving porosity predicts larger distortions with greater residual stresses.

Additive Manufactuirng↗