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All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Mechanism and kinetics of the oxidation of 1,3-butadien-1-yl (n-C 4 H 5 ): a theoretical study

Here, ab initio CCSD(T)-F12/cc-pVTZ-f12//B3LYP/6-311G(d,p) calculations of the C 4 H 5 O 2 potential energy surface have been combined with Rice–Ramsperger–Kassel–Marcus Master Equation (RRKM-ME) calculations of temperature- and pressure-dependent rate constants and product branching ratios to unravel the mechanism and kinetics of the n-C 4 H 5 + O 2 reaction. The results indicate that the reaction is fast, with the total rate constant being in the range of 3.4–5.6 × 10 –11 cm 3 molecule –1 s –1 . The main products include 1-oxo-n-butadienyl + O and acrolein + HCO, with their cumulative yield exceeding 90% at temperatures above 1500 K. Two conformers of 1-oxo-n-butadienyl + O are formed via a simple mechanism of O 2 addition to the radical site of n-C 4 H 5 followed by the cleavage of the O–O bond proceeding via a van der Waals C 4 H 5 O∙∙∙O complex. Alternatively, the pathways leading to acrolein + HCO involve significant reorganization of the heavy-atom skeleton either via formal migration of one O atom to the opposite end of the molecule or its insertion into the C1–C2 bond. Not counting thermal stabilization of the initial peroxy adducts, which prevails at low temperatures and high pressures, all other products share a minor yield of under 5%. Rate constants for the significant reaction channels have been fitted to modified Arrhenius expressions and are proposed for kinetic modeling of the oxidation of aromatic molecules and 1,3-butadiene. As a secondary reaction, n-C 4 H 5 + O 2 can be a source for the formation of acrolein observed experimentally in oxidation of the phenyl radical at low combustion temperatures, whereas another significant (secondary) product of the C 6 H 5 + O 2 reaction, furan, could be formed through unimolecular decomposition of 1-oxo-n-butadienyl. Both the n-C 4 H 5 + O 2 reaction and unimolecular decomposition of its 1-oxo-n-butadienyl primary product are shown not to be a substantial source of ketene.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2011

The Plasma Environment at Mercury

Mercury is the least explored terrestrial planet, and the one subjected to the highest flux of solar radiation in the heliosphere. Its highly dynamic, miniature magnetosphere contains ions from the exosphere and solar wind, and at times may allow solar wind ions to directly impact the planet's surface. Together these features create a plasma environment that shares many features with, but is nonetheless very different from, that of Earth. The first in situ measurements of plasma ions in the Mercury space environment were made only recently, by the Fast Imaging Plasma Spectrometer (FIPS) during the MESSENGER spacecraft's three flybys of the planet in 2008-2009 as the probe was en route to insertion into orbit about Mercury earlier this year. Here. we present analysis of flyby and early orbital mission data with novel techniques that address the particular challenges inherent in these measurements. First. spacecraft structures and sensor orientation limit the FIPS field of view and allow only partial sampling of velocity distribution functions. We use a software model of FIPS sampling in velocity space to explore these effects and recover bulk parameters under certain assumptions. Second, the low densities found in the Mercury magnetosphere result in a relatively low signal-to-noise ratio for many ions. To address this issue, we apply a kernel density spread function to guide removal of background counts according to a background-signature probability map. We then assign individual counts to particular ion species with a time-of-flight forward model, taking into account energy losses in the carbon foil and other physical behavior of ions within the instrument. Using these methods, we have derived bulk plasma properties and heavy ion composition and evaluated them in the context of the Mercury magnetosphere.

Raines, James M.↗
DOE OSTI2020

Axial Asymmetry Studies in Gaia Data Release 2 Yield the Pattern Speed of the Galactic Bar

Our recent studies of axial-symmetry breaking in the nearby ($d <3 \,{\rm kpc}$) star counts are sensitive to the distortions of stellar orbits perpendicular and parallel to the orientation of the bar just within and beyond the outer Lindblad resonance (OLR) radius. Using the location of the sign flip in the left-right asymmetry in stars counts about the anticenter line to determine the OLR radius $R_{\rm OLR}$, and treating the bar as if it were a weakly non-axisymmetric effect, we use $R_{\rm OLR}$ and recent measurements of the Galactic rotation curve and the Sun-Galactic-center distance $R_{0}$ to determine the pattern speed $\Omega_{\rm p}$ of the Galactic bar, as well as the Galactic corotation radius $R_{\rm CR}$. After removing the effect of the Large and Small Magellanic clouds from our asymmetry measurement, we find that $R_{\rm OLR}=(0.96 \pm 0.03)R_0 = 7.85 \pm 0.25 \ \rm kpc$, $\Omega_{\rm p} = 49.3 \pm 2.2 \ \rm km \ s^{-1} \ kpc^{-1}$, $R_{\rm CR}=(0.58 \pm 0.04)R_0 = 4.76 \pm 0.27 \ \rm kpc$, revealing, as we shall show, that the Milky Way's bar is likely both weak and fast, though we also note possible evidence for non-steady-state effects in the bar region.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Single-photon detection using high-temperature cuprate superconductors

The detection of individual quanta of light is important for quantum computation, fluorescence lifetime imaging, single-molecule detection, remote sensing, correlation spectroscopy, and more. Thanks to their broadband operation, high detection efficiency, exceptional signal-to-noise ratio, and fast recovery times, superconducting nanowire single-photon detectors (SNSPDs) have become a critical component in these applications. The operation of SNSPDs based on conventional superconductors, which have a low critical temperature (T c ), requires costly and bulky cryocoolers. This motivated exploration of other superconducting materials with higher T c that would enable single-photon detection at elevated temperatures, yet this task has proven exceedingly difficult. Here we show that with proper processing, high-T c cuprate superconductors can meet this challenge. We fabricated superconducting nanowires (SNWs) out of thin flakes of Bi 2 Sr 2 CaCu2O 8+δ and La 1.55 Sr 0.45 CuO 4 /La 2 CuO 4 (LSCO-LCO) bilayer films and demonstrated their single-photon response up to 25 and 8 K, respectively. The single-photon operation is revealed through the linear scaling of the photon count rate (PCR) on the radiation power. Both of our cuprate-based SNSPDs exhibited single-photon sensitivity at the technologically-important 1.5 μm telecommunications wavelength. Our work expands the family of superconducting materials for SNSPD technology, opens the prospects of raising the temperature ceiling, and raises important questions about the underlying mechanisms of single-photon detection by unconventional superconductors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2019

Cleanroom Contamination Identification Method Development

During fabrication, assembly, and testing of spacecraft and flight hardware it is vital to avoid contaminants that can cause degradation and could result in significant failure. Yet, there is no existing contamination monitoring method that provides the identity of airborne particles in a cleanroom facility. Knowing the particle identities, would allow scientists and engineers to determine the source of the contaminants and prevent setbacks before they occur or cause damage. Current cleanliness monitoring methods include airborne particle counters (APCs), fallout filters, and visual inspections. Particle counts from APCs are the primary metric used to define a cleanroom class and hence its level of cleanliness, but do not provide identification nor can they differentiate between large and small sizes of particles. In addition, using fallout filters is not a proactive, timely, or representative approach to cleanroom contamination monitoring because these samples are only retrieved after 30 days and are placed away from spacecraft processing to avoid interference with operations. In contrast, the forced air sampling method can collect a sample within an hour at any location required and provide results in less than a day. This system uses a cassette and filter sample medium to capture airborne particles which are then taken to a scanning electron microscope with energy dispersive spectroscopy (SEM/EDS) to identify and size the captured particles. Development of forced air sampling into an established laboratory capability will allow for fast sampling and routine identification of unknown contamination sources within the cleanroom. The test method development required market research for an air sampling cassette that increases sample collection efficiency and a filter with low enough background contamination to allow differentiation between a blank (control) and the collected sample. It was determined that a conductive black cassette and a polycarbonate filter were the best options. Conductive black cassettes, in comparison to the standard styrene, are manufactured using polypropylene filled with carbon. This makes the cassette conductive and minimizes the tendency of particles to stick to the wall of the cassette due to electrostatic force. In previous trials a mixed cellulose ester (MCE) filter was used to capture the contaminants, however the rougher surface of the filter contributed to entrapment of the particles within the filter structure and made it harder to identify the particles. In comparison, track etched polycarbonate filters have random cylindrical pores and a smooth surface which contributes to uniform sample distribution on the surface of the filter. Future work includes: testing the system using control samples to determine the efficiency and suitability of the medium, performing sample collection in various environments to establish ideal operating parameters and analyzing contaminant particles using SEM/EDS and assistant characterization techniques. Once fully developed, employing the forced air sampling method will help to prevent damage to spacecraft, avoid schedule delays, and allow for mission success.

Hernandez Melendez, Jailyn M.↗
DOE OSTI2021

Direct comparison of wire, foil, and hybrid X-pinches on a 200 kA, 150 ns current driver

Wire X-pinches (WXPs) have been studied comprehensively as fast (~1 ns pulse width), small (~1 μm) x-ray sources, created by twisting two or more fine wires into an “X” to produce a localized region of extreme magnetic pressure at the cross-point. Recently, two alternatives to the traditional WXP have arisen: the hybrid X-pinch (HXP), composed of two conical electrodes bridged by a thin wire or capillary, and the laser-cut foil X-pinch (LCXP), cut from a thin foil using a laser. We present a comparison of copper wire, hybrid, and laser-cut foil X-pinches on a single experimental platform: UC San Diego’s ~200 kA, 150 ns rise time GenASIS driver. All configurations produced 1–2 ns pulse width, ≤5 μm soft x-ray (Cu L-shell, ~1 keV) sources (resolutions diagnostically limited) with comparable fluxes. WXP results varied with linear mass and wire count, but consistently showed separate pinch and electron-beam-driven sources. LCXPs produced the brightest (~1 MW), smallest (≤5 μm) Cu K-shell sources, and spectroscopic data showed both H-like Cu K α lines indicative of source temperatures ≥2 keV, and cold K α (~8050 eV) characteristic of electron beam generated sources, which were not separately resolved on other diagnostics (within 1–2 ns and ≤200 μm). HXPs produced minimal K-shell emission and reliably single, bright, and small L-shell sources after modifications to shape the early current pulse through them. Benefits and drawbacks for each configuration are discussed to provide potential X-pinch users with the information required to choose the configuration best suited to their needs.

42 ENGINEERING↗
NASA NTRS2008

X-ray Fluorescence Spectroscopy Study of Coating Thickness and Base Metal Composition

For electrical, electronic, and electromechanical (EEE) parts to be approved for space use, they must be able to meet safety standards approved by NASA. A fast, reliable, and precise method is needed to make sure these standards are met. Many EEE parts are coated in gold (Au) and nickel (Ni), and the thickness coating is crucial to a part s performance. A nondestructive method that is efficient in measuring coating thickness is x-ray fluorescence (XRF) spectroscopy. The XRF spectrometer is a machine designed to measure layer thickness and composition of single or multilayered samples. By understanding the limitations in the collection of the data by this method, accurate composition and thickness measurements can be obtained for samples with Au and Ni coatings. To understand the limitations of data found, measurements were taken with the XRF spectrometer and compared to true values of standard reference materials (SRM) that were National Institute of Standards and Technology (NIST) traceable. For every sample, six different parameters were varied to understand measurement error: coating/substrate combination, number of layers, counting interval, collimator size, coating thickness, and test area location. Each measurement was taken in accordance with standards set by the American Society for Testing and Materials (ASTM) International Standard B 568.

Rolin, T. D.↗
DOE OSTI2021

Stabilization of the 81-channel coherent beam combination using machine learning

We develop a rapidly converging algorithm for stabilizing a large channel-count diffractive optical coherent beam combination. An 81-beam combiner is controlled by a novel, machine-learning based, iterative method to correct the optical phases, operating on an experimentally calibrated numerical model. A neural-network is trained to detect phase errors based on interference pattern recognition of uncombined beams adjacent to the combined one. Due to the non-uniqueness of solutions in the full space of possible phases, the network is trained within a limited phase perturbation/error range. This also reduces the number of samples needed for training. Simulations have proven that the network can converge in one step for small phase perturbations. When the trained neural-network is applied to a realistic case of 360 degree full range, an iterative scheme exploits random walking at the beginning, with the accuracy of prediction on phase feedback direction, to allow the neural-network to step into the training range for fast convergence. This neural-network-based iterative method of phase detection works tens of times faster than the commonly used stochastic parallel gradient descent approach (SPGD) using a single-detector and random dither when both are tested with random phase perturbations.

Wang, Dan↗
NASA NTRS1994

Delay Line Detectors for the UVCS and Sumer Instruments on the SOHO Satellite

Microchannel plate based detectors with cross delay line image readout have been rapidly implemented for the SUMER and UVCS instruments aboard the Solar Orbiting Heliospheric Observatory (SOHO) mission to be launched in July 1995. In October 1993 a fast track program to build and characterize detectors and detector control electronics was initiated. We present the detector system design for the SOHO UVCS and SUMER detector programs, and results from the detector test program. Two deliverable detectors have been built at this point, a demonstration model for UVCS, and the flight Ly alpha detector for UVCS, both of which are to be delivered in the next few weeks. Test results have also been obtained with one other demonstration detector system. The detector format is 26mm x 9mm, with 1024 x 360 digitized pixels, using a low resistance Z stack of microchannel plates (MCP's) and a multilayer cross delay line anode (XDL). This configuration provides gains of approximately 2 x 10(exp 7) with good pulse height distributions (less than 50% FWHM) under uniform flood illumination, and background levels typical for this configuration (approximately 0.6 event cm (exp -2)sec(exp -1)). Local counting rates up to about 400 events/pixel/sec have been achieved with no degradation of the MCP gain. The detector and event encoding electronics achieves about 25 millimeter FVHM with good linearity (plus or minus approximately 1 pixel) and is stable to high global counting rates (greater than 4 x 10(exp 5) events sec(exp -1)). Flat field images are dominated by MCP fixed pattern noise and are stable, but the MCP multifiber modulation usually expected is uncharacteristically absent. The detector and electronics have also successfully passed both thermal vacuum and vibration tests.

Seigmund, O. H. W.↗
DOE OSTI2024

Single-photon detection using large-scale high-temperature MgB2 sensors at 20 K

Abstract Ultra-fast single-photon detectors with high current density and operating temperature can benefit space and ground applications, including quantum optical communication systems, lightweight cryogenics for space crafts, and medical use. Here we demonstrate magnesium diboride (MgB 2 ) thin-film superconducting microwires capable of single-photon detection at 1.55 μ m optical wavelength. We used helium ions to alter the properties of MgB 2 , resulting in microwire-based detectors exhibiting single-photon sensitivity across a broad temperature range of up to 20 K, and detection efficiency saturation for 1 μ m wide microwires at 3.7 K. Linearity of detection rate vs incident power was preserved up to at least 100 Mcps. Despite the large active area of up to 400 × 400 μ m 2 , the reset time was found to be as low as ~ 1 ns. Our research provides possibilities for breaking the operating temperature limit and maximum single-pixel count rate, expanding the detector area, and raises inquiries about the fundamental mechanisms of single-photon detection in high-critical-temperature superconductors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1997

Light microscopic image analysis system to quantify immunoreactive terminal area apposed to nerve cells

The present report describes a desktop computer-based method for the quantitative assessment of the area occupied by immunoreactive terminals in close apposition to nerve cells in relation to the perimeter of the cell soma. This method is based on Fast Fourier Transform (FFT) routines incorporated in NIH-Image public domain software. Pyramidal cells of layer V of the somatosensory cortex outlined by GABA immunolabeled terminals were chosen for our analysis. A Leitz Diaplan light microscope was employed for the visualization of the sections. A Sierra Scientific Model 4030 CCD camera was used to capture the images into a Macintosh Centris 650 computer. After preprocessing, filtering was performed on the power spectrum in the frequency domain produced by the FFT operation. An inverse FFT with filter procedure was employed to restore the images to the spatial domain. Pasting of the original image to the transformed one using a Boolean logic operation called 'AND'ing produced an image with the terminals enhanced. This procedure allowed the creation of a binary image using a well-defined threshold of 128. Thus, the terminal area appears in black against a white background. This methodology provides an objective means of measurement of area by counting the total number of pixels occupied by immunoreactive terminals in light microscopic sections in which the difficulties of labeling intensity, size, shape and numerical density of terminals are avoided.

Non-NASA Center↗
NASA NTRS2016

Galaxy Strategy for Ligo-Virgo Gravitational Wave Counterpart Searches

In this work we continue a line of inquiry begun in Kanner et al. which detailed a strategy for utilizing telescopes with narrow fields of view, such as the Swift X-Ray Telescope (XRT), to localize gravity wave (GW) triggers from LIGO (Laser Interferometer Gravitational-Wave Observatory) / Virgo. If one considers the brightest galaxies that produce 50 percent of the light, then the number of galaxies inside typical GW error boxes will be several tens. We have found that this result applies both in the early years of Advanced LIGO when the range is small and the error boxes large, and in the later years when the error boxes will be small and the range large. This strategy has the beneficial property of reducing the number of telescope pointings by a factor 10 to 100 compared with tiling the entire error box. Additional galaxy count reduction will come from a GW rapid distance estimate which will restrict the radial slice in search volume. Combining the bright galaxy strategy with a convolution based on anticipated GW localizations, we find that the searches can be restricted to about 18 plus or minus 5 galaxies for 2015, about 23 plus or minus 4 for 2017, and about 11 plus or minus for 2020. This assumes a distance localization at the putative neutron star-neutron star (NS-NS) merger range mu for each target year, and these totals are integrated out to the range. Integrating out to the horizon would roughly double the totals. For localizations with r (rotation) greatly less than mu the totals would decrease. The galaxy strategy we present in this work will enable numerous sensitive optical and X-ray telescopes with small fields of view to participate meaningfully in searches wherein the prospects for rapidly fading afterglow place a premium on a fast response time.

galaxies: statistics aEuro" gamma-ray burst: gener↗
NASA NTRS1980

Extremes of urine osmolality - Lack of effect on red blood cell survival

Rats were allowed a third of normal water intake for 20 days, and food consumption decreased. The reticulocyte count indicated a suppression of erythropoiesis. Urine osmolality increased from 2,000 mosmol/kg to 3,390 mosmol/kg. Random hemolysis and senescence of a cohort of red blood cell (RBC) previously labeled with (2-(C-14)) glycine was monitored via the production of (C-14)O. Neither hemolysis nor senescence was affected. Following water restriction, the polydipsic rats generated a hypotonic urine. Urine osmolality decreased to 1,300 mosmol/kg for at least 6 days; a reticulocytosis occurred, but RBC survival was unaffected. These results contradict those previously reported, which suggest that RBC survival is influenced by the osmotic stress imposed on the RBC by extremes of urine tonicity. This discrepancy, it is concluded, is due to differences in the methods employed for measuring RBC survival. The random-labeling technique employed previously assumes a steady state between RBC production and destruction. The cohort-labeling technique used here measures hemolysis and senescence independent of changes in RBC production, which is known to be depressed by fasting.

Leon, H. A.↗
DOE OSTI2023

Godiva IV Central Cavity Neutron Environment Characterization with Threshold Neutron Detectors

Godiva IV is a cylindrical fast burst reactor comprised of approximately 65 kg of highly enriched uranium that is operated by Los Alamos National Laboratory and sited at the National Criticality Experiments Research Center at the Nevada National Security Site in Nevada in the United States. Godiva IV is typically operated at delayed critical and in the regime spanning from sub-prompt to super-prompt bursts. Godiva IV is used for sample irradiations, criticality safety demonstrations, dosimetry studies, and for studying super-prompt behavior. In preparation for both an upcoming experiment to reduce uncertainties in the prompt fission spectrum for 235 U using threshold neutron detectors, and for future research using Godiva IV, it was desired to exercise the process of the selection of threshold neutron detectors/activation foils, radiation metrology, and the subsequent adjustment of the neutron spectrum. For this exercise, nine high purity threshold neutron detectors/activation foils were irradiated in a Godiva IV burst. The foils were then analyzed using a high purity germanium detector in the NCERC counting laboratory to determine end of irradiation specific activities for available IRDFF-II reactions. This work summarizes the Godiva IV foil irradiation, radiation metrology results, and adjusted neutron spectrum. The results of this exercise ultimately characterized the neutron environment inside the sample irradiation cavity inside Godiva IV to a higher degree than previously performed, informed decisions for the upcoming larger scale experiment, and will inform future neutron spectrum characterizations at NCERC.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2025

FPGA-accelerated SpeckleNN with SNL for real-time X-ray single-particle imaging

We present the implementation of a specialized version of our previously published unified embedding model, SpeckleNN, for real-time speckle pattern classification in X-ray Single-Particle Imaging (SPI), using the SLAC Neural Network Library (SNL) on an FPGA platform. This hardware realization transitions SpeckleNN from a prototypic model into a practical edge solution, optimized for running inference near the detector in high-throughput X-ray free-electron laser (XFEL) facilities, such as those found at the Linac Coherent Light Source (LCLS). To address the resource constraints inherent in FPGAs, we developed a more specialized version of SpeckleNN. The original model, which was designed for broader classification across multiple biological samples, comprised ~5.6 million parameters. The new implementation, while reducing the parameter count to 64.6K (a 98.8% reduction), focuses on maintaining the model's essential functionality for real-time operation, achieving an accuracy of 90%. Furthermore, we compressed the latent space from 128 to 50 dimensions. This implementation was demonstrated on the KCU1500 FPGA board, utilizing 71% of available DSPs, 75% of LUTs, and 48% of FFs, with an average power consumption of 9.4W according to the Vivado post-implementation report. The FPGA performed inference on a single image with a latency of 45.015 microseconds at a 200 MHz clock rate. In comparison, running the same inference on an NVIDIA A100 GPU resulted in an average power consumption of ~73W and an image processing latency of around 400 microseconds. Our FPGA-accelerated version of SpeckleNN demonstrated significant improvements, achieving an 8.9 × speedup and a 7.8 × reduction in power consumption compared to the GPU implementation. Key advancements include model specialization and dynamic weight loading through SNL, which eliminates the need for time-consuming FPGA design re-synthesis, allowing fast and continuous deployment of models (re)trained online. These innovations enable real-time adaptive classification and efficient vetoing of speckle patterns, making SpeckleNN more suited for deployment in XFEL facilities. This implementation has the potential to significantly accelerate SPI experiments and enhance adaptability to evolving experimental conditions.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Efficacy of a portable, moderate-resolution, fast-scanning differential mobility analyzer for ambient aerosol size distribution measurements

Abstract. Ambient aerosol size distributions obtained with a compact scanning mobility analyzer, the “Spider” differential mobility analyzer (DMA), are compared to those obtained with a conventional mobility analyzer, with specific attention to the effect of mobility resolution on the measured size distribution parameters. The Spider is a 12 cm diameter radial differential mobility analyzer that spans the 10–500 nm size range with 30 s mobility scans. It achieves its compact size by operating at a nominal mobility resolution R=3 (sheath flow = 0.9 L min−1; aerosol flow = 0.3 L min−1) in place of the higher ratio of sheath flow to aerosol flow commonly used. The question addressed here is whether the lower resolution is sufficient to capture key characteristics of ambient aerosol size distributions. The Spider, operated at R=3 with 30 s up- and downscans, was co-located with a TSI 3081 long-column mobility analyzer, operated at R=10 with a 360 s sampling duty cycle. Ambient aerosol data were collected over 26 consecutive days of continuous operation, in Pasadena, CA. Over the 17–500 nm size range, the two instruments exhibit excellent correlation in the total particle number concentrations and geometric mean diameters, with regression slopes of 1.13 and 1.00, respectively. Our results suggest that particle sizing at a lower resolution than typically employed may be sufficient to obtain key properties of ambient size distributions, at least for these two moments of the size distribution. Moreover, it enables better counting statistics, as the wider transfer function for a given aerosol flow rate results in a higher counting rate.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

An Update on Cardinal: Toward Full Core Pebble Simulations

The new DOE-NE Center of Excellence for Thermal-fluids applications in Nuclear Energy inaugurated in April 2018 considers and researches novel new solution strategies for historically challenging flow issues that still plague the current fleet of deployed Light Water nuclear Reactors (LWRs) as well as predicting various fluid flow and fluid related issues with advanced reactor technologies. Our advanced thermal-fluids research and development approach synergistically combines three natural, though overlapping, length and time scales in a hierarchal multi-scale approach to avoid the temptation and pitfalls of attempting to develop a single solve-all algorithm for physical fluid flow problems that will span nine orders of magnitude in spatial and temporal scales. To demonstrate the multi-scale philosophy of the center we focus on Fluoride Cooled High Temperature Reactors (FHRs), and in particular on the Berkley’s PB-FHR Mark-I design. The Fluoride salt cooled High temperature Reactor (FHR) is a class of advanced nuclear reactors that combine the robust coated particle fuel form from high temperature gas cooled reactors, direct reactor auxiliary cooling system (DRACS) passive decay removal of liquid metal fast reactors, and the transparent, high volumetric heat capacitance liquid Fluoride salt working fluids - such as Flibe - from molten salt reactors. This combination of fuel and coolant enables FHRs to operate in a high-temperature low-pressure design space that has beneficial safety and economic implications. The PB-FHR reactor relies on a pebble bed approach and pebble bed reactors are in a sense the poster child for multi-scale analysis. The lower length-scale simulator for pebble reactor cores comprises three physics: neutronics (OpenMC), thermal-fluids (Nek5000/NekRS) and fuel performance (BISON). As part of Center of Excellence ongoing research efforts we have developed Cardinal, a new tool platform for lower length-scale simulation. Cardinal tightly couples all three physics and leverages advances in MOOSE such as the MultiApp system and the concept of MOOSE-wrapped Apps. The present report provides an update on the development of Cardinal with an extension of Cardinal to GPUs. We also perform a first-of-a-kind demonstration simulation on Summit representing a 10x capability increase in terms of pebble count for Cardinal.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2020

Matrix-free preconditioning for high-order H (curl) discretizations

The greater arithmetic intensity of high-order finite element discretizations makes them attractive for implementation on next-generation hardware, but assembly of high-order finite element operators as matrices is prohibitively expensive. As a result, the development of general algebraic solvers for such operators has been an open research challenge. Fast matrix-free application of high-order operators has received significant attention in the literature in the context of Poisson-type problems, but preconditioners and solvers for inverting more general operators are not very well-developed. In this paper, we consider the problem of preconditioning a definite Maxwell operator at high polynomial order without assembling a matrix. We show that given efficient preconditioners for high-order H 1 finite element problems on the same mesh, efficient H(curl) preconditioners can be constructed in an auxiliary space framework. We demonstrate the resulting preconditioners in a practical setting with tensor-product basis functions on an unstructured mesh of quadrilaterals. Overall, our approach uses a sparsified H 1 solver constructed on a low-order mesh of the nodal points of the underlying high-order space, and we show that the resulting H(curl) preconditioner is effective at very high polynomial orders for two-dimensional model problems with complicated geometry, varying piecewise constant coefficients, and curved elements. The resulting preconditioner scales with nearly optimal O(p d+1 ) floating point operation count and optimal O(p d ) memory transfer requirements, outperforming existing Maxwell preconditioners in the high-order regime.

97 MATHEMATICS AND COMPUTING↗