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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

A Case For Intra-rack Resource Disaggregation in HPC

The expected halt of traditional technology scaling is motivating increased heterogeneity in high-performance computing (HPC) systems with the emergence of numerous specialized accelerators. As heterogeneity increases, so does the risk of underutilizing expensive hardware resources if we preserve today’s rigid node configuration and reservation strategies. This has sparked interest in resource disaggregation to enable finer-grain allocation of hardware resources to applications. However, there is currently no data-driven study of what range of disaggregation is appropriate in HPC. To that end, we perform a detailed analysis of key metrics sampled in NERSC’s Cori, a production HPC system that executes a diverse open-science HPC workload. In addition, we profile a variety of deep-learning applications to represent an emerging workload. We show that for a rack (cabinet) configuration and applications similar to Cori, a central processing unit with intra-rack disaggregation has a 99.5% probability to find all resources it requires inside its rack. In addition, ideal intra-rack resource disaggregation in Cori could reduce memory and NIC resources by 5.36% to 69.01% and still satisfy the worst-case average rack utilization.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Ambient Mass Spectrometry Rapid Analysis Methods for Trace Inorganics

The ability to rapidly detect and characterize the chemistry of trace quantities of inorganic species has multiple potential applications, including nuclear safeguards, nuclear forensics, and environmental monitoring. Some mass spectrometric methods currently exist, but they are costly and time-intensive, often destroying chemical information in the process of ionization. Ambient mass spectrometry is a relatively new analytical method in which samples are introduced to the mass spectrometer from atmospheric pressure, rather than from high vacuum. Ambient MS can operate with gentler ionization methods such as electrospray ionization (ESI) and paper-spray ionization (PSI), reducing fragmentation and preserving the chemical information of the analyte. This may be useful for determining the intended purpose of material in a sample. Strontium, part of nuclear fallout, is analyzed here to test these new analytical methods for viability. Electrospray ionization mass spectrometry functions by spraying the sample as a solution through a needle charged to a few kV. A nebulizing gas flows out along with the sample to create the spray before droplets enter a drying chamber with heated drying gas to remove the solvent molecules. From there bare analyte ions enter the mass spectrometer. This method has the advantage of relatively fast sample preparation and stable ionization. More stable ionization produces higher-quality data. Paper-spray ionization mass spectrometry operates by applying sample to a paper triangle. The paper triangle is then electrified in a metal clamp to a few kV before spray solvent is applied. The spray solvent transports analyte in the sample to the tip, where it is ionized and enters the mass spectrometer. One advantage of this method is reduced sample preparation - an analyst can even swipe a surface and cut a triangle directly from the swipe. The data analysis serves to rapidly process tens of samples all at once. The mass spectrometer outputs a file containing a few hundred spectra for each sample. The pipeline processes each one to identify peaks of interest. A full palette of data analysis metrics are generated, including plots of the raw data and plots of calculated values such as isotopic ratios. The pipeline filters the raw data to remove noise and background peaks, as well as peaks representing detector saturation. A heat map is generated to show the overall spectrum in mass-time- intensity space. Post-processing, we obtained the desired calibration curves, demonstrating that both ESI-MS and PSI-MS are viable methods for quantifying trace amounts of inorganics while retaining their chemical speciation information. ESI-MS demonstrated a linear response region of 100 ppb to 20 ppm, with a limit-of-detection of around 100 ppb. At top left is an example spectrum with the {sup 88}SrNO{sub 3} peak identified to show the retention of chemical speciation. PSI-MS showed a linear response region of around 1 ppb to 1 ppm, with a limit-of-detection of near 1 ppb. PSI-MS produced more erratic results than ESI-MS, likely due to the variability in ionization resulting from manual positioning of the paper triangle near the MS inlet. Future efforts will focus on improving the repeatability of PSI-MS as well as analyzing other species of interest such as cerium and uranium. Improvements will also be made to create more reliable data extraction and intelligent data filtering.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

Transport coefficients of quasiparticle models within a new relaxation time approximation of the Boltzmann equation

We investigate the transport properties of a kinetic theory model that is tuned to describe the thermodynamic properties of QCD at zero chemical potential using a new formulation of the relaxation time approximation. In contrast to previous approaches, the latter is constructed to preserve the fundamental properties of the collision term of the Boltzmann equation for any energy dependence of the relaxation time. A novel choice of matching conditions is implemented to ensure that the background mean-field depends only on the temperature even when the system is out of equilibrium. We provide a consistent analysis of how the transport coefficients of relativistic Navier-Stokes theory vary with the energy dependence of the relaxation time. We also show that the entropy production of this theory is consistent with the second law of thermodynamics and verify that it is independent of the matching conditions employed. We used this fact to calculate the matching independent combination of transport coefficients.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Stability and Conservation properties of Hermite-based approximations of the Vlasov-Poisson System

Spectral approximation based on Hermite-Fourier expansion of the Vlasov-Poisson model for a collisionless plasma in the electro-static limit is provided by adding high-order artificial collision operators of Lenard-Bernstein type. These differential operators are suitably designed in order to preserve the physically-meaningful invariants (number of particles, momentum, energy). In view of time-discretization, stability results in appropriate norms are presented. In this study, necessary conditions link the magnitude of the artificial collision term, the number of spectral modes of the discretization, as well as the time-step. The analysis, carried out in full for the Hermite discretization of a simple linear problem in one-dimension, is then partly extended to cover the complete nonlinear Vlasov-Poisson model.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Cleaned 5-Minute Resolution Air Quality and Meteorological Data from Nine TCEQ CAMS Sites in Houston, Texas (Nov 2021 – Oct 2022)

These data encompass 5-minute air monitoring and meteorological observations collected in the greater Houston, Texas metropolitan region, at nine (9) Continuous Ambient Monitoring Stations (CAMS) operated by the Texas Commission on Environmental Quality (TCEQ) between November 1, 2021 and October 31, 2022. The CAMS sites (CAMS 1, 8, 35, 45, 148, 403, 405, 410, and 1052) were chosen because their instrumentation includes measurements of PM2.5. These sites also provide continuous multi-parameter air-quality and meteorological measurements. Particulate matter (PM2.5, PM10) was sampled along with several trace gases, including ozone (O3), nitrogen oxides (NO, NO2, NOx), sulfur dioxide (SO2), and carbon monoxide (CO). The data set also contains standard surface meteorological parameters (temperature, humidity, pressure, wind speed, and wind direction). Several sites also include AutoGC-based measurements of volatile organic compounds (VOCs). Air monitoring instruments deployed at the selected sites comprise the following systems: BAM-1020 or TEOM (PM2.5), Thermo Scientific TEI 49i (O3), TEI 42i (NOx), and AutoGCs (VOCs). This data set is similar to the data included within the houairq5mX1.00 datastream, except for a few additional quality control steps. A systematic data cleaning and verification process was performed on the data set to ensure its quality and preparation for analysis. Removal of non-numeric status flags (e.g., [LIM], [QAS], [SPZ], [CAL], [PMA], [AQI], [SPN], [MAL]) was accomplished by employing rule-based string parsing to extract valid numerical values. Missing entries were set to -9999; however, invalid or anomalous values (e.g., 99999) were retained as originally reported by the TCEQ to preserve data provenance. The time sequence was verified for completeness, removal of duplicates, and uniformity at 5-minute intervals. Column labeling was standardized, and corresponding values were assessed for physical plausibility. All timestamps in the data set were reported in Coordinated Universal Time (UTC) as provided by the TCEQ. Further, the latitude and longitude coordinates were added for each CAMS site. A subset of the data (June 1–September 30, 2022) has been used in the following publication: Subba et al. 2025. “Implications of sea breeze circulations on boundary layer aerosols in the southern coastal Texas region.” EGUsphere 2025: 1–49, https://doi.org/10.5194/egusphere-2025-2659.

latitude↗
DOE OSTI2026

Dynamics of McMillan mappings III. Symmetric map with mixed nonlinearity

This article extends the study of the dynamical properties of the symmetric McMillan map, emphasizing its utility in understanding and modeling complex nonlinear systems. Although the map features six parameters, we demonstrate that only two are irreducible: the linearized rotation number at the fixed point and a nonlinear parameter representing the ratio of terms in the biquadratic invariant. Through a detailed analysis, we classify regimes of stable motion, provide exact solutions to the mapping equations, and derive a canonical set of action-angle variables, offering analytical expressions for the rotation number and nonlinear tune shift. We further establish connections between general standard-form mappings and the symmetric McMillan map, using the area-preserving Hénon map and accelerator lattices with thin sextupole magnet as representative case studies. Our results show that, despite being a second-order approximation, the symmetric McMillan map provides a highly accurate depiction of dynamics across a wide range of system parameters, demonstrating its practical relevance in both theoretical and applied contexts.

43 PARTICLE ACCELERATORS↗
DOE OSTI2025

Design and Analysis of a Mutual Inductance Level Sensor for Liquid Metals

Here, this article describes the design and analysis of an electromagnetic level sensor for use in high-temperature liquid metal systems. The mutual inductance level sensor (MILS) described in this work was fabricated using two single-conductor mineral insulated cables wrapped in a bifilar fashion around a stainless steel tube core and was housed in an isolating thimble that preserved the pressure boundary of the test vessel. Two sensor variations were fabricated that differ only in active length, 1016 and 1778 mm. Experimental data were collected using the 1016-mm sensor (MILS-MKII-040) that demonstrated a sensitivity of 9.2 μ V/mm in a room temperature testing stand that used solid aluminum as a surrogate for liquid metal. Experimental data were collected using the 1778-mm sensor (MILS-MKII-070) that demonstrated a sensitivity of 6.9 μ V/mm in the high-temperature (300 ° C) liquid sodium environment at the mechanisms engineering test loop (METL) of Argonne National Laboratory. The sensor performance was found to be repeatable over the course of several months, with roughly ±1% deviation from nominal output. Finite element models were developed in COMSOL Multiphysics that fully describe each test setup, and the models were validated using experimental data. The validated COMSOL models were used to perform an array of analyses that examined the performance of the sensor in differing environments. Maximizing the coil diameter inside the isolating thimble was found to maximize the signal and sensitivity of the sensor. An optimal operating frequency was found near 1000 Hz using both experimental data and COMSOL. The influence of a metallic thimble surrounding the sensor and a metallic sensor core was quantified and found to be negligible at the optimal operating frequency. The sensitivity of the sensor was quantified when monitoring the level of additional liquid metals. These include lead, lead-bismuth eutectic (LBE), sodium-potassium alloy (NaK), and lithium (in addition to sodium). The sensitivities were quantified using liquid metal properties at 350 ° C and 650 ° C. The geometry of the test stand model, all material properties used in the model, and the results are presented in a manner that allows the reader can replicate the model and perform additional analyses.

COMSOL↗
DOE OSTI2024

Investigation of Numerical Methods for Performance Improvement of MOOSE-based System Analysis Codes

The main objective of this study is to investigate the feasibility of implementation of staggered-grid finite volume method (SG-FVM) using the MOOSE framework to support the development of the advanced system analysis code SAM. This study successfully demonstrated the integration of staggered-grid finite volume method in the application level using the MOOSE framework, although not in the framework level which should be investigated in the future. Several important properties of the implemented SG-FVM, e.g., high-order spatial accuracy and monotonicity preserving, have been demonstrated with selected numerical test cases. The superior performance in execution time was also evident based on a selected one- dimensional flow problem in a loop configuration.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

A data compression and optimal galaxy weights scheme for Dark Energy Spectroscopic Instrument and weak lensing data sets

Combining different observational probes, such as galaxy clustering and weak lensing, is a promising technique for unveiling the physics of the Universe with upcoming dark energy experiments. The galaxy redshift sample from the Dark Energy Spectroscopic Instrument (DESI) will have a significant overlap with major ongoing imaging surveys specifically designed for weak lensing measurements: the Kilo-Degree Survey (KiDS), the Dark Energy Survey (DES), and the Hyper Suprime-Cam (HSC) survey. In this work, we analyse simulated redshift and lensing catalogues to establish a new strategy for combining high-quality cosmological imaging and spectroscopic data, in view of the first-year data assembly analysis of DESI. In a test case fitting for a reduced parameter set, we employ an optimal data compression scheme able to identify those aspects of the data that are most sensitive to cosmological information and amplify them with respect to other aspects of the data. We find this optimal compression approach is able to preserve all the information related to the growth of structures.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Black hole perturbations and quasinormal modes in hybrid metric-Palatini gravity

The rapid advancement of gravitational wave astronomy in recent years has paved the way for the burgeoning development of black hole spectroscopy, which enhances the possibility of testing black holes by their quasinormal modes (QNMs). In this paper, the axial gravitational perturbations and the QNM frequencies of black holes in the hybrid metric-Palatini gravity (HMPG) are investigated. Additionally, the HMPG theory is characterized by a dynamical scalar degree of freedom and is able to explain the late-time accelerating expansion of the universe without introducing any ad hoc screening mechanism to preserve the dynamics at the Solar System scale. We obtain the master equation governing the axial gravitational perturbations of the HMPG black holes and calculate the QNM frequencies. Moreover, in the scrutiny of the black holes and their QNMs, we take into account the constraints on the model parameters based on the post-Newtonian analysis, and show how the QNM frequencies of the HMPG black holes would be altered in the observationally consistent range of parameter space.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

At-wavelength characterization of X-ray wavefronts in Bragg diffraction from crystals

The advent of next-generation synchrotron radiation sources and X-ray free-electron lasers calls for high-quality Bragg-diffraction crystal optics to preserve the X-ray beam coherence and wavefront. This requirement brings new challenges in characterizing crystals in Bragg diffraction in terms of Bragg-plane height errors and wavefront phase distortions. Here, a quantitative methodology to characterize crystal optics using a state-of-the-art at-wavelength wavefront sensing technique and statistical analysis is proposed. The method was tested at the 1-BM-B optics testing beamline at the Advanced Photon Source for measuring silicon and diamond crystals in a self-referencing single-crystal mode and an absolute double-crystal mode. The phase error sensitivity of the technique is demonstrated to be at the λ/100 level required by most applications, such as the characterization of diamond crystals for cavity-based X-ray free-electron lasers.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Dual-solver hybrid computational approaches for design and analysis of vertical lift vehicles

Abstract The cost of Reynolds-Averaged Navier-Stokes simulations can be restrictive to implement in aeromechanics design and analysis of vertical lift configurations given the cost to resolve the flow on a mesh sufficient to provide accurate aerodynamic and structural loads. Dual-solver hybrid methods have been developed that resolve the configuration and the near field with the Reynolds-Averaged Navier-Stokes solvers, while the wake is resolved with vorticity-preserving methods that are more cost-effective. These dual-solver approaches can be integrated into an organisation’s workflow to bridge the gap between lower-fidelity methods and the expensive Reynolds-Averaged Navier-Stokes when there are complex physics present. This paper provides an overview of different dual-solver hybrid methods, coupling approaches, and future efforts to expand their capabilities in the areas of novel configurations and operations in constrained and turbulent environments.

Engineering↗
DOE OSTI2021

Fossil Corals With Various Degrees of Preservation Can Retain Information About Biomineralization-Related Organic Material

Scleractinian corals typically form a robust calcium carbonate skeleton beneath their living tissue. This skeleton, through its trace element composition and isotope ratios, may record environmental conditions of water surrounding the coral animal. While bulk unrecrystallized aragonite coral skeletons can be used to reconstruct past ocean conditions, corals that have undergone significant diagenesis have altered geochemical signatures and are typically assumed to retain insufficient meaningful information for bulk or macrostructural analysis. However, partially recrystallized skeletons may retain organic molecular components of the skeletal organic matrix (SOM), which is secreted by the animal and directs aspects of the biomineralization process. Some SOM proteins can be retained in fossil corals and can potentially provide past oceanographic, ecological, and indirect genetic information. Here, we describe a dataset of scleractinian coral skeletons, aged from modern to Cretaceous plus a Carboniferous rugosan, characterized for their crystallography, trace element composition, and amino acid compositions. We show that some specimens that are partially recrystallized to calcite yield potentially useful biochemical information whereas complete recrystalization or silicification leads to significant alteration or loss of the SOM fraction. Our analysis is informative to biochemical-paleoceanographers as it suggests that previously discounted partially recrystallized coral skeletons may indeed still be useful at the microstructural level.

58 GEOSCIENCES↗
DOE OSTI2020

Challenges and Opportunities in Turning Large U.S. Archives of Analog Seismograms into a Modern Usable Resource

Abstract Quantitative seismology is based firmly on the analysis of actual ground motions, and the transition to digital recording in the 1980s enabled sophisticated new capabilities to extract useful results from waveforms. With some effort, these tools can also be applied to analog records. Focusing on assets available within U.S. institutions, we review the necessary steps and the challenges in enabling “data rescue”—that is, preserving the scientific information latent in large analog seismogram archives and making it usable. They include: determining what assets are available (the analog seismogram archives held by various institutions, with associated metadata on instrument responses, station locations, and timing information); developing a consensus on the top level of a triage process (which analog records most definitely should be rescued?); deciding the level of quality needed in copying original seismograms to media suitable for digitizing; assessing the relative merits of scanning and digitizing; and, the need for a community service in distributing scans and digital records, as they accumulate. The necessary level of effort can benefit from practical experience. For example, specific studies have used digitized versions of analog recordings to model earthquake sources and assess seismic hazard. Other studies have used them to gain experience with nuclear explosion signals recorded at regional distances, noting that regional signals enable explosions to be monitored down to levels much lower than those attainable teleseismically. The opportunities presented by large archives of analog seismograms include the insights they present to current and future seismologists studying earthquakes and explosions, into the practical areas of assessing seismic hazard, monitoring for test ban compliance down to low explosion yields—and prompt characterization of actual explosions should they occur, as well the traditional academic pursuit of a better understanding of earthquake physics.

Geochemistry & Geophysics↗
DOE OSTI2022

Stability of Polyethylene Glycol-Coated Copper Nanoparticles and Their Optical Properties

Oxidation is a corrosion reaction where the corroded metal forms an oxide. Prevention of oxidation at the nanoscale is critically important to retain the physicochemical properties of metal nanoparticles. In this work, we studied the stability of polyethylene glycol (PEG) coated copper nanoparticles (PEGylated CuNPs) against oxidation. The freshly-prepared PEGylated CuNPs mainly consist of metallic Cu which are quite stable in air although their surfaces are typically covered with a few monolayers of cuprous oxide. However, they are quickly oxidized in water due to the presence of protons that facilitate oxidation of the cuprous oxide to cupric oxide. PEG with carboxylic acid terminus could slightly delay the oxidation process compared to that with thiol terminus. It was found that a solvent with reducing power such as ethanol could greatly enhance the stability of PEGylated CuNPs by preventing further oxidation of the cuprous oxide to cupric oxide and thus retain the optical properties of CuNPs. The reducing environment also assists the galvanic replacement of these PEGylated CuNPs to form hollow nanoshells; however, they consist of ultra-small particle assemblies due to the co-reduction of gold precursor during the replacement reaction. As a result, these nanoshells do not exhibit strong optical properties in the near-infrared region. This study highlights the importance of solvent effects on PEGylated nonprecious metal nanoparticles against oxidation corrosion and its applications in preserving physicochemical properties of metallic nanostructures.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2025

LLRF System Analysis for the Fermilab PIP-II LINAC

Developing long-lived quantum processing units (QPUs) capable of supporting high-fidelity quantum operations is a crucial challenge on the path toward fault-tolerant quantum computing. TESLA-shaped superconducting RF (SRF) cavities, known for photon relaxation times on the order of seconds, provide an excellent foundation for 3D QPUs and quantum memory. This talk presents a novel design that leverages TESLA cavity modes coupled to ancillary transmon qubits, optimized to preserve coherence and control. By carefully engineering the package geometry, optimizing Hamiltonian parameters, and minimizing lossy participation ratios, we achieve photon relaxation times of over 16 ms and 20 ms for the two cavity modes, representing a significant improvement over previous multimode quantum memories. Despite the reduced coupling between the qubit and cavity modes, which is necessary to preserve long lifetimes, the platform supports robust and universal control schemes that are not limited by low coupling strength. We will also discuss how this architecture can lead to scalable, modular quantum computing systems.

Varghese, P. [Fermilab]↗
DOE OSTI2022

Design for Carbon Conversion Product Pathways with Nuclear Power Plant Integration (PCC)

Coal is a globally abundant resource that historically has been used for power generation via combustion. As the power industry replaces coal with cleaner methods of generation, energy rich coal could be used in other chemical and fuel applications. This study presents a coal utilization option in which coal combustion is replaced with a carbon-free nuclear power plant and the coal is upgraded to valuable products for a variety of markets. Coal is prepared for conversion first by the pyrolysis process, which will optimize solid, liquid, and gaseous products based on the market size and potential product value, maximizing the monetary value of coal. This process is designed using bituminous coal from the Appalachian region as a basis to provide a pathway to preserve or transition coal-related jobs and create new jobs associated with the clean energy transition. Process modeling will be used to determine each component’s sensitivities, costs, inputs, and outputs Advanced and light-water reactors are considerations to supply the heat, steam, and electricity to the process. This paper focuses on the technical and market analysis used to determine the optimal processes and product pathways for the carbon refinery. Product pathways are on activated carbon, formic acid synthesis, and methanol synthesis for further upgrading to marketable chemical and polymer products.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2021

Thermal stability and diffusion characteristics of ultrathin amorphous carbon films grown on crystalline and nitrogenated silicon substrates by filtered cathodic vacuum arc deposition

Amorphous carbon (a-C) films are widely used as protective overcoats in many technology sectors, principally due to their excellent thermophysical properties and chemical inertness. The growth and thermal stability of sub-5-nm-thick a-C films synthesized by filtered cathodic vacuum arc on pure (crystalline) and nitrogenated (amorphous) silicon substrate surfaces were investigated in this study. Samples of a-C/Si and a-C/SiN x /Si stacks were thermally annealed for various durations and subsequently characterized by high-resolution transmission electron microscopy (TEM) and electron energy loss spectroscopy (EELS). The TEM images confirmed the continuity and uniformity of the a-C films and the 5-nm-thick SiN x underlayer formed by silicon nitrogenation using radio-frequency sputtering. The EELS analysis of cross-sectional samples revealed the thermal stability of the a-C films and the efficacy of the SiNx underlayer to prevent carbon migration into the silicon substrate, even after prolonged heating. The obtained results provide insight into the important attributes of an underlayer in heated multilayered media for preventing elemental intermixing with the substrate, while preserving the structural stability of the a-C film at the stack surface. An important contribution of this investigation is the establishment of an experimental framework for accurately assessing the thermal stability and elemental diffusion in layered microstructures exposed to elevated temperatures.

42 ENGINEERING↗