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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 1,333 records · Page 74

Simulation study of the role of ion kinetics in low-frequency wave train evolution

The evolution of uniform, parallel propagating, low-frequency (less than or approx. ion cyclotron) wave trains is followed with a one-dimensional hybrid numerical code with fluid electrons and particle ions. We show that moderate amplitude (delta B/B less than 1/2) wave trains give instabilities and saturated states which differ completely from pure fluid evolution. This is most clearly seen when beta greater than 1 and instability exists for wavenumbers both below and above the wavenumber of an inital, left-handed wave train or pump wave. For corresponding parameters a fluid theory gives only a narrow range of instability above the pump wavenumber where decay and beat instabilities can occur. in simulations wave energy inverse cascades to smaller wavenumbers and into a greater number of forward than backward going waves. In fluids energy by decay goes mostly to backward ones of smaller wavenumber, and energy by beat goes mostly to forward ones of larger wavenumber. Neither fluid instability explains simulation results. The instability is saturated by thermalizing ions and sometimes exciting small wavenumber electrostatic or acoustic modes. In contrast, saturation in fluids first occurs by generating the harmonics of the growing linear modes. Harmonic generation is mostly absent in simulations. Simulations are carried out to long times and mostly reach a limit beyond which no further significant evolution can occur. Application to Alfvenic fluctuations in the solar wind is discussed.

Vasquez, Bernard J.↗

Computational Aero-acoustics As a Tool For Turbo-machinery Noise Reduction

This talk will provide an overview of the field of computational aero-acoustics and its use in fan noise prediction. After a brief history of computational fluid dynamics, some of the recent developments in computational aero-acoustics will be explored. Computational issues concerning sound wave production, propagation, and reflection in practical turbo-machinery applications will be discussed including: (a) High order/High Resolution Numerical Techniques. (b) High Resolution Boundary Conditions. [c] MIMD Parallel Computing. [d] Form of Governing Equations Useful for Simulations. In addition, the basic design of our Broadband Analysis Stator Simulator (BASS) code and its application to a 2 D rotor wake-stator interaction will be shown. An example of the noise produced by the wakes from a rotor impinging upon a stator cascade will be shown.

Dyson, Rodger W.↗

Validation of a High-Order Prefactored Compact Code on Nonlinear Flows with Complex Geometries

A finite-difference time domain solution of the airfoil gust problem is obtained using a high-accuracy nonlinear computational aeroacoustics code. For computational efficiency, the equations are cast in chain-rule curvilinear form, and a structured multiblock solver is used in parallel. In order to fully investigate the performance of this solver, a test matrix of eight problems are computed (two airfoil geometries, two gust frequencies, and two gust configurations). These results are compared to solutions obtained by the GUST3D frequency-domain solver both on the airfoil surface and in the far field. Grid density and domain size studies are included.

Hixon, R.↗

Capacity Maximizing Constellations

Some non-traditional signal constellations have been proposed for transmission of data over the Additive White Gaussian Noise (AWGN) channel using such channel-capacity-approaching codes as low-density parity-check (LDPC) or turbo codes. Computational simulations have shown performance gains of more than 1 dB over traditional constellations. These gains could be translated to bandwidth- efficient communications, variously, over longer distances, using less power, or using smaller antennas. The proposed constellations have been used in a bit-interleaved coded modulation system employing state-ofthe-art LDPC codes. In computational simulations, these constellations were shown to afford performance gains over traditional constellations as predicted by the gap between the parallel decoding capacity of the constellations and the Gaussian capacity

Barsoum, Maged↗

NASA Tech Briefs, January 2014

Topics include: Multi-Source Autonomous Response for Targeting and Monitoring of Volcanic Activity; Software Suite to Support In-Flight Characterization of Remote Sensing Systems; Visual Image Sensor Organ Replacement; Ultra-Wideband, Dual-Polarized, Beam-Steering P-Band Array Antenna; Centering a DDR Strobe in the Middle of a Data Packet; Using a Commercial Ethernet PHY Device in a Radiation Environment; Submerged AUV Charging Station; Habitat Demonstration Unit (HDU) Vertical Cylinder Habitat; Origami-Inspired Folding of Thick, Rigid Panels; A Novel Protocol for Decoating and Permeabilizing Bacterial Spores for Epifluorescent Microscopy; Method and Apparatus for Automated Isolation of Nucleic Acids from Small Cell Samples; Enabling Microliquid Chromatography by Microbead Packing of Microchannels; On-Command Force and Torque Impeding Devices (OC-FTID) Using ERF; Deployable Fresnel Rings; Transition-Edge Hot-Electron Microbolometers for Millimeter and Submillimeter Astrophysics; Spacecraft Trajectory Analysis and Mission Planning Simulation (STAMPS) Software; Cross Support Transfer Service (CSTS) Framework Library; Arbitrary Shape Deformation in CFD Design; Range Safety Flight Elevation Limit Calculation Software; Frequency-Modulated, Continuous-Wave Laser Ranging Using Photon-Counting Detectors; Calculation of Operations Efficiency Factors for Mars Surface Missions; GPU Lossless Hyperspectral Data Compression System; Robust, Optimal Subsonic Airfoil Shapes; Protograph-Based Raptor-Like Codes; Fuzzy Neuron: Method and Hardware Realization; Kalman Filter Input Processor for Boresight Calibration; Organizing Compression of Hyperspectral Imagery to Allow Efficient Parallel Decompression; and Temperature Dependences of Mechanisms Responsible for the Water-Vapor Continuum Absorption.

Source record↗

Aladyn - Adaptive Neural Network Molecular Dynamics Simulation Code: Computational Materials Mini-Application

This report provides an overview and commands description of the Computational Materials mini-application, Aladyn. Aladyn is a simple molecular dynamics code written in FORTRAN 2008, which is designed to demonstrate the use of adaptive neural networks (ANNs) in atomistic simulations. The role of ANNs is to reproduce the very complex energy landscape resulting from the atomic interactions in materials with the accuracy of quantum mechanics-based energy calculations. The ANN is trained on a large set of atomic structures calculated using the density functional theory (DFT) method. The Aladyn code is being released to serve as a training testbed for students and professors in academia to explore possible optimization algorithms for parallel computing on multicore central processing unit (CPU) computers or computers utilizing many core architectures based on graphic processing units (GPUs). The effort is related to the High Performance Computing Incubator (HPCI) project at NASA Langley Research Center.

Yamakov, Vesselin I.↗

AladynPi – Adaptive Neural Network Molecular Dynamics Simulation Code with Physically Informed Potential: Computational Materials Mini-Application

This report provides an overview and description of commands used in the Computational Materials mini-application, AladynPi. AladynPi is an extension of a previously released mini-application, Aladyn (https://github.com/nasa/aladyn; Yamakov, V.I., and Glaessgen, E.H., NASA/TM-2018-220104). Aladyn and AladynPi are basic molecular dynamics codes written in FORTRAN 2003, which are designed to demonstrate the use of adaptive neural networks (ANNs) in atomistic simulations. The role of ANNs is to efficiently reproduce the very complex energy landscape resulting from the atomic interactions in materials with the accuracy of the more expensive quantum mechanics-based calculations. The ANN is trained on a large set of atomic structures calculated using the density functional theory method. An input for the ANN is a set of structure coefficients, characterizing the local atomic environment of each atom, for which the atomic energy is obtained in the ANN inference process. In Aladyn, the ANN gives directly the energy of interatomic interactions. In AladynPi, the ANN gives optimized parameters for a predefined empirical function, known as bond-order-potential (BOP). The parameterized BOP function is then used to calculate the energy. AladynPi code is being released to serve as a training testbed for students and professors in academia to explore possible optimization algorithms for parallel computing on multicore central processing unit (CPU) computers or computers utilizing manycore architectures based on graphic processing units (GPUs). The effort is supported by the High Performance Computing incubator (HPCi) project at NASA Langley Research Center.

Yamakov, Vesselin I.↗

New Features of the NEQAIR Radiation Code

The longest-lived code for predicting shock layer radiation, NEQAIR, is now in its 5th decade of service. Substantial changes to the code have been made over the previous decade, the most recent report of which was at the 5th Workshop on Radiation in High Temperature Gases in 2014, for the version referred to as NEQAIR14. This paper will review some of the improvements made to the NEQAIR code since then, which is now at v15.2. Some of these features are discussed briefly below. NEQAIR15 and subsequent versions have enabled parallel evaluation of multiple lines of sight. This is accomplished by utilizing the HDF5 file format and placing multiple lines into a single file, LOS.h5, which is used for both input and output. This approach enables straightforward parallel execution both over the number of lines of sight and the number of points per line. For large problems, runtime reduces linearly with the number of nodes deployed since each line is processed independently by a subset of MPI ranks. Three applications of the multi-line solver are discussed. The first has to do with performing loosely coupled radiation-flowfield solutions. In this case the computed absorption and emission coefficients are used to evaluate the total energy absorbed or emitted at each point, allowing evaluation of the volumetric source term in the flowfield. The second computation is for obtaining heat flux from nonuniform flows, which require integration over spherical co-ordinates. These are of particular interest for evaluating radiation on the vehicle backshell. This 3D option improves the angular integration scheme and allows adaptive line selection that together reduce the number of lines required by about an order of magnitude. The final application is for remote observation, which is essentially the 3D integration problem over a small solid angle. For all three of these computations, data can be stored in the HDF5 file which allows a NEQAIR run to be restarted when it times out, or to add atmospheric absorption or instrument scan functions. An additional level of parallelism is enabled in NEQAIR15.2 using GPU routines. The GPU parallelism has realized up to 8x speed-up when running on a single core but diminishes as CPU parallelism is increased. For running multi-line simulations, it may be easier to reserve a large number of CPU nodes than to obtain the number of GPU nodes required for similar performance. A GUI, known as NEQTPY, allows for reading and creating input files, running NEQAIR, and displaying results. A significant feature of NEQTPY is the ability to perform spectral fits to data. The fits can operate on a single line spectrum (radiance vs. wavelength) or a 3D input file with multiple columns of data. Other new features include improved constants, additional species, more detailed non-Boltzmann modelling, advanced user controls, the ability to read and calculate spectra from HITRAN datafiles, photodissociation and photoionization cross-sections. A “fast” automatic grid option may reduce the size and time of spectral calculations while still maintaining good accuracy for total heat flux.

Brett A Cruden↗

LAURA Users Manual: 5.7

This users manual provides in-depth information concerning installation and execution of Laura, version 5. Laura is a structured, multi-block, compu- tational aerothermodynamic simulation code. Version 5 represents a major refactoring of the original Fortran 77 Laura code toward a modular structure afforded by Fortran 2003. The refactoring improved usability and maintain- ability by eliminating the requirement for problem-dependent re-compilations, providing more intuitive distribution of functionality, and simplifying inter- faces required for multi-physics coupling. As a result, Laura now shares gas-physics modules, MPI modules, and other low-level modules with the Fun3D unstructured-grid code. In addition to internal refactoring, several new features and capabilities have been added, e.g., a GNU-standard instal- lation process, parallel load balancing, automatic trajectory point sequencing, free-energy minimization, and coupled ablation and flowfield radiation.

CFD hypersonics reentry↗

Matrix Exponential in C/C++ Version of Vector Radiative Transfer Code IPOL

We use only left eigenvectors to evaluate the matrix exponential in the method of discrete ordinates for the vector radiative transfer equation, which neglects circular polarization, in a plane-parallel atmosphere. This is contrary to a common practice of using the right eigenvectors to evaluate the matrix exponential combined with the left eigenvectors to avoid the inversion of the matrix of the right ones. Two numerical tests for Rayleigh and Aerosol scattering confirm our idea. For better explanation of our approach and for independent crosscheck of our results, we distribute an example in C/C++.

Sergey Korkin↗

FLASSH 1.0: Thermal scattering law evaluation and cross section generation for reactor physics applications

The Full Law Analysis Scattering System Hub (FLASSH) is a modern, advanced code which evaluates the thermal scattering law (TSL) along with accompanying cross sections. FLASSH features generalized methods which accommodate any material structure. Historical approximations including the incoherent and cubic approximations have been removed. Instead, the latest release of FLASSH features advanced physics options including distinct corrections (1-phonon contributions) and non-cubic formulations. The non-cubic elastic and inelastic contributions are necessary to accurately evaluate 1-phonon contributions. Both non-cubic and 1-phonon calculations require high-density sampling of the various scattering directions. Optimization and parallelization of these routines were therefore necessary to produce results in a reasonable timeframe. With these notable improvements to the generalized TSL, FLASSH 1.0 meets benchmark requirements, demonstrating noticeable agreement with experiment for both TSLs and the resulting integrated cross sections. Additional features including a graphical user interface (GUI), plotting diagnostics, and formatted output options including ACE files allow users to complete a TSL evaluation with minimal input and maximum flexibility. The user GUI creates input files for FLASSH, reducing user error and also providing built-in error checks. Autofill options and suggested input values help make TSL evaluation accessible to novice users. The FLASSH code is compiled to run on both Windows and Linux platforms with automatic parallelization. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Parallel membership queries on very large scientific data sets using bitmap indexes

© 2019 John Wiley & Sons, Ltd. Many scientific applications produce very large amounts of data as advances in hardware fuel computing and experimental facilities. Managing and analyzing massive quantities of scientific data is challenging as data are often stored in specific formatted files, such as HDF5 and NetCDF, which do not offer appropriate search capabilities. In this research, we investigated a special class of search capability, called membership query, to identify whether queried elements of a set are members of an attribute. Attributes that naturally have classification values appear frequently in scientific domains such as category and object type as well as in daily life such as zip code and occupation. Because classification attribute values are discrete and require random data access, performing a membership query on a large scientific data set creates challenges. We applied bitmap indexing and parallelization to membership queries to overcome these challenges. Bitmap indexing provides high performance not only for low cardinality attributes but also for high cardinality attributes, such as floating-point variables, electric charge, or momentum in a particle physics data set, due to compression algorithms such as Word-Aligned Hybrid. We conducted experiments, in a highly parallelized environment, on data obtained from a particle accelerator model and a synthetic data set.

Yildiz, Beytullah↗

Capacity, cutoff rate, and coding for a direct-detection optical channel

It is shown that Pierce's pulse position modulation scheme with 2 to the L pulse positions used on a self-noise-limited direct detection optical communication channel results in a 2 to the L-ary erasure channel that is equivalent to the parallel combination of L completely correlated binary erasure channels. The capacity of the full channel is the sum of the capacities of the component channels, but the cutoff rate of the full channel is shown to be much smaller than the sum of the cutoff rates. An interpretation of the cutoff rate is given that suggests a complexity advantage in coding separately on the component channels. It is shown that if short-constraint-length convolutional codes with Viterbi decoders are used on the component channels, then the performance and complexity compare favorably with the Reed-Solomon coding system proposed by McEliece for the full channel. The reasons for this unexpectedly fine performance by the convolutional code system are explored in detail, as are various facets of the channel structure.

Massey, J. L.↗

To Exascale and Beyond—The Simple Cloud-Resolving E3SM Atmosphere Model (SCREAM), a Performance Portable Global Atmosphere Model for Cloud-Resolving Scales

The new generation of heterogeneous CPU/GPU computer systems offer much greater computational performance but are not yet widely used for climate modeling. One reason for this is that traditional climate models were written before GPUs were available and would require an extensive overhaul to run on these new machines. In addition, even conventional “high–resolution” simulations don't currently provide enough parallel work to keep GPUs busy, so the benefits of such overhaul would be limited for the types of simulations climate scientists are accustomed to. The vision of the Simple Cloud-Resolving Energy Exascale Earth System (E3SM) Atmosphere Model (SCREAM) project is to create a global atmospheric model with the architecture to efficiently use GPUs and horizontal resolution sufficient to fully take advantage of GPU parallelism. After 5 years of model development, SCREAM is finally ready for use. In this paper, we describe the design of this new code, its performance on both CPU and heterogeneous machines, and its ability to simulate real-world climate via a set of four 40 day simulations covering all 4 seasons of the year.

54 ENVIRONMENTAL SCIENCES↗

Data and scripts associated with a manuscript investigating impacts of solid phase extraction on freshwater organic matter optical signatures and mass spectrometry pairing

This data package is associated with the publication “Investigating the impacts of solid phase extraction on dissolved organic matter optical signatures and the pairing with high-resolution mass spectrometry data in a freshwater system” submitted to “Limnology and Oceanography: Methods.” This data is an extension of the River Corridor and Watershed Biogeochemistry SFA’s Spatial Study 2021 (https://doi.org/10.15485/1898914). Other associated data and field metadata can be found at the link provided. The goal of this manuscript is to assess the impact of solid phase extraction (SPE) on the ability to pair ultra-high resolution mass spectrometry data collected from SPE extracts with optical properties collected on ambient stream samples. Forty-seven samples collected from within the Yakima River Basin, Washington were analyzed dissolved organic carbon (DOC, measured as non-purgeable organic carbon, NPOC), absorbance, and fluorescence. Samples were subsequently concentrated with SPE and reanalyzed for each measurement. The extraction efficiency for the DOC and common optical indices were calculated. In addition, SPE samples were subject to ultra-high resolution mass spectrometry and compared with the ambient and SPE generated optical data. Finally, in addition to this cross-platform inter-comparison, we further performed and intra-comparison among the high-resolution mass spectrometry data to determine the impact of sample preparation on the interpretability of results. Here, the SPE samples were prepared at 40 milligrams per liter (mg/L) based on the known DOC extraction efficiency of the samples (ranging from ~30 to ~75%) compared to the common practice of assuming the DOC extraction efficiency of freshwater samples at 60%. This data package folder consists of one main data folder with one subfolder (Data_Input). The main data folder contains (1) readme; (2) data dictionary (dd); (3) file-level metadata (flmd); (4) final data summary output from processing script; and (5) the processing script. The R-markdown processing script (SPE_Manuscript_Rmarkdown_Data_Package.rmd) contains all code needed to reproduce manuscript statistics and figures (with the exception of that stated below). The Data_Input folder has two subfolders: (1) FTICR and (2) Optics. Additionally, the Data_Input folder contains dissolved organic carbon (DOC, measured as non-purgeable organic carbon, NPOC) data (SPS_NPOC_Summary.csv) and relevant supporting Solid Phase Extraction Volume information (SPS_SPE_Volumes.csv). Methods information for the optical and FTICR data is embedded in the header rows of SPS_EEMs_Methods.csv and SPS_FTICR_Methods.csv, respectively. In addition, the data dictionary (SPS_SPE_dd.csv), file level metadata (SPS_SPE_flmd.csv), and methods codes (SPS_SPE_Methods_codes.csv) are provided. The FTICR subfolder contains all raw FTICR data as well as instructions for processing. In addition, post processed FTICR molecular information (Processed_FTICRMS_Mol.csv) and sample data (Processed_FTICRMS_Data.csv) is provided that can be directly read into R with the associated R-markdown file. The Optics subfolder contains all Absorbance and Fluorescence Spectra. Fluorescence spectra have been blank corrected, inner filter corrected, and undergone scatter removal. In addition, this folder contains Matlab code used to make a portion of Figure 1 within the manuscript, derive various spectral parameters used within the manuscript, and used for parallel factor analysis (PARAFAC) modeling. Spectral indices (SPS_SpectralIndices.csv) and PARAFAC outputs (SPS_PARAFAC_Model_Loadings.csv and SPS_PARAFAC_Sample_Scores.csv) are directly read into the associated R-markdown file. We acknowledge the Yakama Nation as owners and caretakers of the lands where we collected some of these data. We thank the Confederated Tribes and Bands of the Yakama Nation Tribal Council and Yakama Nation Fisheries for working with us to facilitate sample collection and optimization of data usage according to their values and worldview.

54 ENVIRONMENTAL SCIENCES↗

Integration of Ultrawide Bandgap Photoconducting Semiconductor Switches into High-Voltage, High-Current Pulser Systems

In this feasibility study we will evaluate the viability of integrating ultrawide bandgap (UWBG) photoconducting semiconductor switches (PCSS) in high-voltage pulser systems capable of driving low-impedance dynamic loads critical for next-generation accelerator and RF-source applications. The project consisted of developing modelling tools that would inform design of UWBG PCSS packages that could be mounted onto conventional circuit boards. Specifically, we are interested in evaluating the following through simulation software: (1) resistance to electrical breakdown (2) proximity effects due to high-frequency skin effect (3) transient behavior from switching (4) effective transmission of RF signals (5) thermal dynamics of the switch under operation (6) sensitivity to inhomogeneities in optical excitation of the material (7) cross-talk effects from parallel switching structures, and (8) susceptibility of system to damaged components. The project resulted in the development of a special-purpose circuit code that implements photoconductivity physics. This code was used to evaluate objectives 1-6 above, identifying a critical requirement associated with the need for fine control of dopant concentrations in the UWBG material to reach an optimal solution for voltage standoff and laser light responsivity requirements. In addition, we identified that the temperature dependence of the electrical conductivity of this material was typically not well-measured and developed a platform for measuring both the “dark” and “illuminated” conductivity on real physical switches in the lab to better inform our models.

24 POWER TRANSMISSION AND DISTRIBUTION↗

The solution of the three-dimensional viscous-compressible Navier-Stokes equations on a vector computer

The development of a vectorized computer code for the solution of the three-dimensional viscous-compressible Navier-Stokes equations is described. The code is applied on the CDC STAR-100 vector computer which is capable of achieving high result rates when a high degree of parallelism is present in the computations. The computational technique is an explicit time-split MacCormack predictor-corrector algorithm. Since a large volume of data is processed and virtual memory utilized, a data management scheme based on interleaving is used. The program has been applied to obtain the solution of the laminar supersonic flow about a family of three-dimensional corners. The equations of motion are expressed in a generalized form relative to a uniform rectangular computational domain. The metric coefficient and boundary conditions must be supplied for the corresponding physical domain. For calculations with 30,000 grid points, a computational rate of 0.00015 seconds per grid point per time step is observed.

Smith, R. E.↗

Fast VLSI Viterbi Decoder

Fast Viterbi decoder with fully parallel, pipeline architecture implemented on two VLSI NMOS chips. Decoder used with constraint-length-7, rate-1/2, convolutional error-correcting code widely used by NASA for deepspace telemetry data. With this (7,1/2) code, bit stream contains 2 bits per original data bit, and information about 1 data bit distributed over 7 pairs of bits. Design principles of decoder also applicable to Viterbi codes of other lengths and rates.

Wang, C. C.↗