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NASA NTRS2000

Mean Line Pump Flow Model in Rocket Engine System Simulation

A mean line pump flow modeling method has been developed to provide a fast capability for modeling turbopumps of rocket engines. Based on this method, a mean line pump flow code PUMPA has been written that can predict the performance of pumps at off-design operating conditions, given the loss of the diffusion system at the design point. The pump code can model axial flow inducers, mixed-flow and centrifugal pumps. The code can model multistage pumps in series. The code features rapid input setup and computer run time, and is an effective analysis and conceptual design tool. The map generation capability of the code provides the map information needed for interfacing with a rocket engine system modeling code. The off-design and multistage modeling capabilities of the code permit parametric design space exploration of candidate pump configurations and provide pump performance data for engine system evaluation. The PUMPA code has been integrated with the Numerical Propulsion System Simulation (NPSS) code and an expander rocket engine system has been simulated. The mean line pump flow code runs as an integral part of the NPSS rocket engine system simulation and provides key pump performance information directly to the system model at all operating conditions.

Veres, Joseph P.↗

DOE OSTI2020

Performance Optimization for Relative-Error-Bounded Lossy Compression on Scientific Data

Scientific simulations in high-performance computing (HPC) environments generate vast volume of data, which may cause a severe I/O bottleneck at runtime and a huge burden on storage space for postanalysis. Unlike traditional data reduction schemes such as deduplication or lossless compression, not only can error-controlled lossy compression significantly reduce the data size but it also holds the promise to satisfy user demand on error control. Pointwise relative error bounds (i.e., compression errors depends on the data values) are widely used by many scientific applications with lossy compression since error control can adapt to the error bound in the dataset automatically. Pointwise relative-error-bounded compression is complicated and time consuming. In this article, we develop efficient precomputation-based mechanisms based on the SZ lossy compression framework. Our mechanisms can avoid costly logarithmic transformation and identify quantization factor values via a fast table lookup, greatly accelerating the relative-error-bounded compression with excellent compression ratios. In addition, we reduce traversing operations for Huffman decoding, significantly accelerating the decompression process in SZ. Experiments with eight well-known real-world scientific simulation datasets show that our solution can improve the compression and decompression rates (i.e., the speed) by about 40 and 80 p, respectively, in most of cases, making our designed lossy compression strategy the best-in-class solution in most cases.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

DOE OSTI2021

Role of Molecular Architecture on Ion Transport in Ethylene oxide-Based Polymer Electrolytes

This work aims to develop a detailed mechanistic understanding of the role of a graft polymer architecture on lithium ion (Li + ) transport in poly(ethylene oxide)-based polymer electrolytes. Specifically, we compare Li + transport in poly-(ethylene oxide) (PEO) versus poly(oligo oxyethylene methacrylate) (POEM) polymers doped with lithium bis( trifluoromethanesulfonyl) (LiTFSI) salts, using both experimental electrochemical characterization and molecular dynamics (MD) simulations. Furthermore, our results indicate that POEM exhibits a range of relaxation processes that cannot be interpreted solely in terms of glass-transition temperature (T g ) effects. Due to its side-chain architecture, the segmental relaxation of POEM is nonuniform across ether oxygens (EOs) and shows a more pronounced sensitivity to temperature above T g compared to PEO. Moreover, POEM also exhibits a nonuniform Li + coordination behavior, in which Li + is primarily solvated by two different chains in POEM, compared to a single chain in PEO. Li + transport in POEM occurs via two events with distinct characteristic times: a fast intrachain hopping along side chains and a slow interchain hopping between side chains. Taken together, the relaxation processes and ion transport mechanisms identified in POEM provide useful insights into design of more effective solid polymer electrolytes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Improving Predictive Capability in REHEDS Simulations with Fast, Accurate, and Consistent Non-Equilibrium Material Properties

Predictive design of REHEDS experiments with radiation-hydrodynamic simulations requires knowledge of material properties (e.g. equations of state (EOS), transport coefficients, and radiation physics). Interpreting experimental results requires accurate models of diagnostic observables (e.g. detailed emission, absorption, and scattering spectra). In conditions of Local Thermodynamic Equilibrium (LTE), these material properties and observables can be pre-computed with relatively high accuracy and subsequently tabulated on simple temperature-density grids for fast look-up by simulations. When radiation and electron temperatures fall out of equilibrium, however, non-LTE effects can profoundly change material properties and diagnostic signatures. Accurately and efficiently incorporating these non-LTE effects has been a longstanding challenge for simulations. At present, most simulations include non-LTE effects by invoking highly simplified inline models. These inline non-LTE models are both much slower than table look-up and significantly less accurate than the detailed models used to populate LTE tables and diagnose experimental data through post-processing or inversion. Because inline non-LTE models are slow, designers avoid them whenever possible, which leads to known inaccuracies from using tabular LTE. Because inline models are simple, they are inconsistent with tabular data from detailed models, leading to ill-known inaccuracies, and they cannot generate detailed synthetic diagnostics suitable for direct comparisons with experimental data. This project addresses the challenge of generating and utilizing efficient, accurate, and consistent non-equilibrium material data along three complementary but relatively independent research lines. First, we have developed a relatively fast and accurate non-LTE average-atom model based on density functional theory (DFT) that provides a complete set of EOS, transport, and radiative data, and have rigorously tested it against more sophisticated first-principles multi-atom DFT models, including time-dependent DFT. Next, we have developed a tabular scheme and interpolation methods that compactly capture non-LTE effects for use in simulations and have implemented these tables in the GORGON magneto-hydrodynamic (MHD) code. Finally, we have developed post-processing tools that use detailed tabulated non-LTE data to directly predict experimental observables from simulation output.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Once in a blue stream: Detection of recent star formation in the NGC 7241 stellar stream with MEGARA

Aims.In this work we study the striking case of a narrow blue stream with a possible globular cluster-like progenitor around the NGC 7241 galaxy and its foreground dwarf companion. We want to figure out if the stream was generated by tidal interaction with NGC 7241 or if it first interacted with the foreground dwarf companion and later both fell together toward NGC 7241. Methods.We used four sets of observations, including a follow-up spectroscopic study of this stream based on data taken with the MEGARA instrument at the 10.4 m Gran Telescopio Canarias using the integral field spectroscopy mode, the Mount Lemmon 0.80 m telescope, the Telescopio NazionaleGalileo, the DESI Imaging Legacy surveys, and GALEX archival data. We also used high-resolution zoomed-in cosmological simulations. Results.Our data suggest that the compact object we detected in the stream is a foreground Milky Way halo star. Near this compact object we detect emission lines overlapping a less compact, bluer, and fainter blob of the stream that is clearly visible in both ultraviolet and optical deep images. From its heliocentric systemic radial velocity derived from the [O III]λ5007 Å lines (V syst = 1548.58 ± 1.80 km s −1 ) and new UV and optical broadband photometry, we conclude that this overdensity could be the actual core of the stream, with an absolute magnitude ofM g ∼ −10 and ag − r = 0.08 ± 0.11, consistent with a remnant of a low-mass dwarf satellite undergoing a current episode of star formation. From the width of the stream and assuming a circular orbit, we calculate that the progenitor mass can be typical of a dwarf galaxy, but it could also be substantially lower if the stream is on a very radial orbit or if it was created by tidal interaction with the companion dwarf instead of with NGC 7241. These estimates also suggest that this is one of the lowest mass streams detected to date beyond the Local Group. Finally, we find that blue stellar streams containing star formation regions are commonly predicted by high-resolution cosmological simulations of galaxies lighter than the Milky Way. This scenario is consistent with the processes explaining the bursty star formation history of some dwarf satellites, which are followed by a gas depletion and a fast quenching once they enter within the virial radius of their host galaxies for the first time. Thus, it is likely that the stream’s progenitor is undergoing a star formation burst comparable to those that have shaped the star formation history of several Local Group dwarfs in the last few gigayears.

Astronomy & Astrophysics↗

NASA NTRS1994

Generation of slow-mode waves in front of the dayside magnetopause

Slow-mode waves have been observed to appear frequently in front of the dayside magnetopause. It is found based on two-dimensional global magnetohydrodynamic (MHD) simulations that slow-mode waves are generated through the interaction between the bow shock and various MHD waves (fast-mode, Alfven-mode, or slow-mode waves) in the upstream solar wind. The generated slow-mode waves stay in front of the magnetopause for a long time (over 15 minutes) before the wave energy is convected away tailward. Since various waves are often present in the solar wind, this mechanism may lead to the frequent appearance of slow-mode waves in front of the magnetopause.

Yan, M.↗

NASA NTRS2002

FAST/Polar Conjunction Study of Field-Aligned Auroral Acceleration and Corresponding Magnetotail Drivers

The discrete aurora results when energized electrons bombard the Earth's atmosphere at high latitudes. This paper examines the physical processes that can cause field-aligned acceleration of plasma particles in the auroral region. A data and theoretical study has been carried out to examine the acceleration mechanisms that operate in the auroral zone and to identity the magnetospheric drivers of these acceleration mechanisms. The observations used in the study were collected by the Fast Auroral SnapshoT (FAST) and Polar satellites when the two satellites were in approximate magnetic conjunction in the auroral region. During these events FAST was in the middle of the auroral zone and Polar was above the auroral zone in the near-Earth plasma sheet. Polar data was used to determine the conditions in the magnetotail at the time field-aligned acceleration was measured by FAST in the auroral zone. For each of the magnetotail drivers identified in the data study, the physics of field-aligned acceleration in the auroral region was examined using existing theoretical efforts and a long-system particle-in-cell simulation to model the magnetically connected region between the two satellites.

Schriver, D.↗

NASA NTRS1989

Computer simulations of cosmic-ray diffusion near supernova remnant shock waves

A plasma simulation model was used to study the resonant interactions between streaming cosmic-ray ions and a self-consistent spectrum of Alfven waves, such as might exist in the interstellar medium upstream of a supernova remnant shock wave. The computational model is a hybrid one, in which the background interstellar medium is an MHD fluid and the cosmic-rays are discrete kinetic particles. The particle sources for the electromagnetic fields are obtained by averaging over the fast cyclotron motions. When the perturbed magnetic field is larger than 10 percent of the background field, the macro- and microphysics are no longer correctly predicted by quasi-linear theory. The particles are trapped by the waves and show sharp jumps in their pitch-angles relative to the background magnetic field, and the effective ninety-degree scattering time for diffusion parallel to the background magnetic field is reduced to between 5 and 30 cyclotron periods. Simulation results suggest that Type 1 supernova remnants may be the principal sites of cosmic ray acceleration.

Max, C. E.↗

DOE OSTI2022

3D full wave fast wave modeling with realistic HHFW antenna geometry and SOL plasma in NSTX-U

This paper reports the significant advancement of our ability to model and to understand how RF waves interact with the SOL plasma, by developing for the full torus 3D scrape-off layer (SOL) plasma simulation together with the antenna and core plasma in the NSTX-U device in HHFW frequency regime for a cold plasma model. The present paper extends the previous modeling (Bertelli et al 2020 AIP Conf. Proc. 2254 030001) to a full 3D device geometry including realistic antenna geometry in order to capture a more realistic experimental situation including the fully 3D wave field effects and the antenna plasma interaction in the SOL plasma, and, at the same time, resulting core wave propagation. Here, the central tool of the present work is the Petra-M code, which is a newly developed state-of-the-art generic electromagnetic simulation tool for modeling RF wave propagation based on MFEM (http://mfem.org), an open source scalable C++ finite element method library.

3D RF modeling↗

DOE OSTI2020

Quantifying the effects of urbanization on floods in a changing environment to promote water security — A case study of two adjacent basins in Texas

The increased occurrence of flood events resulting from urbanization and global climate change is a great threat to water security. To systematically evaluate the impacts of urbanization on floods, here we applied a paired catchments approach to two adjacent river basins in south-central Texas — the San Antonio River Basin (SARB), with fast urbanization; and the Guadalupe River Basin (GRB), with little land cover change. A physics-based distributed hydrological model — the Distributed Hydrology Soil Vegetation Model, embedded with a multi-purpose reservoir module (DHSVM-Res) — was used to simulate streamflow and reservoir storage. The simulations were conducted under different land cover scenarios, including a newly developed continuous land cover series (CLCS). Holistic analyses were then conducted for the paired basins using three methods: analyzing the selected flood events, detecting change points (CP) of monthly floods, and testing the elasticity of long-term flood regimes. The results suggest that: (1) urbanization may reduce lag time and elevate flood peaks significantly by 3–30% in our study area; (2) when there is little land cover change, changing climate is the major driver of variations in the monthly maximum streamflow (MMS); (3) fast urbanization can amplify streamflow variability, increase MMS significantly, and thus alter the timing of CP; and (4) the mean MMS of observed streamflow in the SARB has increased by as much as 75.7% from the pre-CP to post-CP periods. This comprehensive study fills in a gap in our current understanding of the isolated impacts of urbanization on flooding and is expected to support future explorations of anthropogenic influences on floods.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

The Statistical Spread of Transmission Outages on a Fast Protection Time Scale Based on Utility Data

When there is a fault, the protection system automatically removes one or more transmission lines on a fast time scale of less than one minute. The outaged lines form a pattern in the transmission network. We extract these patterns from utility outage data, determine some key statistics of these patterns, and then show how to generate new patterns consistent with these statistics. The generated patterns provide a new and easily feasible way to model the overall effect of the protection system at the scale of a large transmission system. This new data-driven generative modeling of protection is expected to contribute to simulations of disturbances in large grids so that they can better quantify the risk of blackouts. Analysis of the pattern sizes suggests an index that describes how much outages spread in the transmission network at the fast timescale.

Transmission↗

DOE OSTI2022

MEUMAPPS (C++ Version)

Many materials, metal alloys in particular, have features on the on micrometer or nanometer scale that have a large impact on the properties of the material. These features are known as the microstructure of the material. Understanding why and how the microstructure forms in a material is of fundamental scientific interest as well as of significant technological interest. The capability to predict microstructure evolution in a material allows the intentional design of microstructures and hence the intentional design of material properties. The phase-field method is one of the leading methods for predicting microstructure evolution. One of the most significant problems for phase-field models is their computational expense. Even limited phase-field simulations can easily require thousands of CPU core-hours to complete, which significantly limits their use. This code provides both a general framework for creating scalable, GPU-accelerated phase-field model applications as well as several applications themselves. The code is capable of using hundreds of GPUs efficiently, which greatly reduces the time required to perform simulations. The code is written with an emphasis on performance portability, that is the ability for the code to run efficiently on a number of different computing architectures without modification of the source code. The performance portability of this code is primarily enabled through the use of two libraries, Kokkos (performance portable data structures and execution patterns) and heFFTe (performance portable distributed 3D fast Fourier transforms). The code consists of a core library, applications, and tests. The core library includes shared functionality between applications. This includes interfaces with fast Fourier transform (FFT) libraries such as heFFTe, data structures based on Kokkos, file input and output capabilities, and a solver for infinitesimal strain mechanical equilibrium problems. Five applications are included in the code. The flagship application is the MEUMAPPS-SS application, which implements the Kim-Kim-Suzuki phase-field model for precipitation for an arbitrary number of phases and components in a metal alloy. Five simpler applications are also included that solve the Eshelby inclusion problem, Allen-Cahn equation, the coupled Allen-Cahn and diffusion equations, and the Cahn-Hilliard equation. The code includes two applications to solve the Cahn-Hilliard equation, one with constant-step-size first-order time integration and the second with adaptive high-order time integration.

DeWitt, Stephen [Oak Ridge National Lab. (ORNL), O↗

DOE OSTI2023

Irradiation of ultrasonic sensors and adhesive couplants for application in light water reactor primary loop piping and components

The Electric Power Research Institute (EPRI) Nuclear Sector and US Department of Energy Light Water Reactor Sustainability Program are committed to engaging in research and development endeavors to address materials aging issues specific to long term operation of light water power reactors. To this effect, EPRI launched an industry initiative to develop nondestructive evaluation systems for online monitoring of existing cracks in light water reactor primary coolant loop piping and components. One of the goals of this initiative is to develop a sensor system (or systems) that can determine nondestructively if cracks are growing or arrested and, in the case of the former, to characterize their growth rates. A missing component of this initiative is an experimental assessment of how sensors and adhesive couplants will perform in service when exposed to chronic energetic neutron radiation, particularly at the primary coolant loop hot and cold leg dissimilar metal welds, which join the primary loop piping to the reactor pressure vessel and reside in the vicinity of the reactor core. The objective of this experimental study was to determine how ultrasonic transducers and adhesive couplants perform when exposed to irradiation in a test reactor to simulate and accelerate in-service exposure. Further, to achieve this objective, the signal stability of piezoelectric transducers and performance of adhesive couplants as a function of accumulated fast neutron fluence were characterized by collecting ultrasonic data in-situ during irradiation. Of particular interest were the ultrasonic signal quality and time decay of the amplitude of acoustic reflections as a function of fast neutron fluence. The results of the study showed that, of the 8 transducer/substrate sample assemblies tested, only 3 generated usable ultrasonic signals through the conclusion of the irradiation campaign. It was found that high temperature epoxy tends to ultrasonically couple the sensors to the substrates better than three types of refractory ceramic cements studied, as is supported by post irradiation examination. The results obtained through this experimental study will be utilized in the achievement of the overall goal of development of a sensor system to perform online monitoring of primary loop components.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2021

Photoluminescence Dynamics Defined by Exciton Trapping Potential of Coupled Defect States in DNA-Functionalized Carbon Nanotubes

Chemical reactions between semiconducting single-wall carbon nanotubes (SWCNTs) and single-stranded DNA (ssDNA) achieve spatially patterned covalent functionalization sites and create coupled fluorescent quantum defects on the nanotube surface, tailoring SWCNT photophysics for applications such as single-photon emitters in quantum information technologies. The evaluation of relaxation dynamics of photoluminescence (PL) from those coupled quantum defects is essential for understanding the nanotube electronic structure and beneficial to the design of quantum light emitters. Here, we measured the PL decay for ssDNA-functionalized SWCNTs as a function of the guanine content of the ssDNA oligo that dictates the red-shifting of their PL emission peaks relative to the band-edge exciton. We then correlate the observed dependence of PL decay dynamics on energy red-shifts to the exciton potential energy landscape, which is modeled using first-principles approaches based upon the morphology of ssDNA-altered SWCNTs obtained by atomic force microscopy (AFM) imaging. In this work, our simulations illustrate that the multiple guanine defects introduced within a single ssDNA strand strongly interact to create a deep exciton trapping well, acting as a single hybrid trap. The emission decay from the distinctive trapping potential landscape is found to be biexponential for ssDNA-modified SWCNTs. We attributed the fast time component of the biexponential PL decay to the redistribution of exciton population among the lowest energy bright states and a manifold of dark states emerging from the coupling of multiple guanine defects. The long lifetime component in the biexponential decay, on the other hand, is attributed to the redistribution of exciton population among different exciton trapping sites that arise from the binding of multiple ssDNA strands along the nanotube axis. AFM measurements indicate that those trapping sites are separated on average by ~8 nm along the nanotube axis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Flow Channels and the Generation of Alfvénic Turbulence Along Storm‐Time Inner Magnetospheric Field‐Lines

Abstract A feature of Earth's storm‐time magnetosphere outside the plasmapause is the occurrence of broad‐spectrum Alfvénic fluctuations. In this letter observations from the Van Allen Probes are compared with 3‐D fluid‐kinetic simulations of an evolving convective flow channel to investigate the mechanisms generating the observed spectrum. It is shown how narrow channels of fast convection are unstable to the Kelvin‐Helmholtz instability which on closed field‐lines initiates a cascade to small scales. Sustained driving of the flow combined with reflection from the topside ionosphere leads to the generation of an intensified spectrum of electromagnetic structures having similar spectral and morphological characteristics to those observed. This process couples enhanced magnetospheric convection to kinetic scale electromagnetic fluctuations that drive particle transport, scattering and energization through the outer radiation belt and ring current during geomagnetic storms.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Characterization of DESI fiber assignment incompleteness effect on 2-point clustering and mitigation methods for DR1 analysis

We present an in-depth analysis of the fiber assignment incompleteness in the Dark Energy Spectroscopic Instrument (DESI) Data Release 1 (DR1). This incompleteness is caused by the restricted mobility of the robotic fiber positioner in the DESI focal plane, which limits the number of galaxies that can be observed at the same time, especially at small angular separations. As a result, the observed clustering amplitude is suppressed in a scale-dependent manner, which, if not addressed, can severely impact the inference of cosmological parameters. We discuss the methods adopted for simulating fiber assignment on mocks and data. In particular, we introduce the fast fiber assignment (FFA) emulator, which was employed to obtain the power spectrum covariance adopted for the DR1 full-shape analysis. We present the mitigation techniques, organised in two classes: measurement stage and model stage. We then use high fidelity mocks as a reference to quantify both the accuracy of the FFA emulator and the effectiveness of the different measurement-stage mitigation techniques. This complements the studies conducted in a parallel paper for the model-stage techniques, namely the θ-cut approach. We find that pairwise inverse probability (PIP) weights with angular upweighting recover the “true” clustering in all the cases considered, in both Fourier and configuration space. Notably, we present the first ever power spectrum measurement with PIP weights from real data.

cosmological simulations↗

NASA NTRS1974

An integrated PCM data system for full scale aeronautics testing

An integrated PCM data system is being developed at Ames Research Center to gather test data on advanced STOL propulsive lift, VTOL, rotary wing, and V/STOL control systems concepts as they pass through wind-tunnel, test-stand, flight-simulator and flight-test phases. Identical airborne signal conditioning and PCM encoding is used on test aircraft and wind tunnel models. An 80,000 word/second PCM installation will be the first all PCM-instrumented rotary wing development project. The system uses both dedicated and time-shared computers for fast data analysis with maximum use of resources. This system development shows one way to bring separate data user groups together over a common data base, while sharing computing resources for minimum cost.-

Reynolds, D. R.↗

NASA NTRS1991

A study of a proposed modified torsional agility metric

A new candidate lateral agility metric, the modified torsional agility parameter, is proposed and tested through generic, nonlinear, non-real-time flight simulation programs of the F-18 and F-5A. The metric is aimed at quantifying high subsonic loaded roll capabilities which might be useful in modern air combat. The metric is considered to be straightforward for testing and measuring based on nonreal-time unmanned flight simulation. The metric is found to be sensitive to pilot input errors of less than full lateral stick to capture bank angle, when tested using unmanned flight simulations. It is suggested that, for redesigned configurations of both aircraft with improved lateral agility, the major benefit would be provided by fast and highly effective rudders, and a high level of pitch, roll, and yaw damping at moderate to high normal load factor levels.

Valasek, John↗