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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

The ePIC Simulation Campaign Workflow on the Open Science Grid

The ePIC collaboration is realizing the first experiment of the future Electron-Ion Collider (EIC) at the Brookhaven National Laboratory that will allow for a precision study of the nucleons and the nucleus at the scale of sea quarks and gluons through the study of electron-proton/ion collisions. This paper will discuss the current workflow for running centralized simulation campaigns for ePIC on the Open Science Grid (OSG) infrastructure. This involves monthly releases of ePIC software and container deployments to CVMFS, generation of input datasets in HepMC format according to collaboration-defined policy, using Snakemake in CI/CD for validation and benchmarking, and submitting jobs to the OSG condor scheduler for opportunistic running on available resources. File transfers utilize XrootD, and Rucio is used for data management. The workflow is continuously refined to improve daily throughput (currently 50-100k core hours per day) and minimize job failures. Since May 2023, monthly simulation campaigns employing the workflow have cumulatively used over 20 million core hours on the OSG and produced over 350 TB of simulation data. The campaigns incorporate simulations for the broad science program of the EIC and are actively used for the detector and physics studies in preparation of the Technical Design Report (TDR).

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Stable perovskite-fluorite dual-phase composites synthesized by one-pot solid-state reactive sintering for protonic ceramic fuel cells

We report that this work synthesized a series of oxide composites with nominal compositions of BaCe 05 Zr 0.4 Y 0.1 O 3-δ (BCZY)-Ce 0.5 Y 0.5 O 2-δ (YDC) based on the BCZY/YDC molar ratios of 0.5:1, 1:1, 2:1, and 4:1 (BCZY-YDC-0.5–1, BCZY-YDC-1-1, BCZY-YDC-2-1, and BCZY-YDC-4-1) using a one-pot solid state reactive sintering (SSRS) method. The X-ray diffraction (XRD) patterns and refinement proved that the one-pot SSRS at 1450 °C for 12 h could achieve the perovskite-fluorite dual-phase composites (DPCs) with the desired structure compositions. The scanning electron microscopy (SEM) images showed that the two DPCs of BCZY-YDC-1-1 and BCZY-YDC-2-1 formed excellent percolation for perovskite and fluorite phases. The conductivity measurement by electrochemical impedance spectroscopy (EIS) and the transference number measurement by the electromotive force (EMF) test proved that changing the BCZY/YDC molar ratio and operating condition could adjust the DPC's conduction property to make them suitable for electrolytes and electrode scaffolds for protonic ceramic fuel cells (PCFCs). The long-term conductivity testing and the crystal structure analysis after EMF testing under versatile conditions indicated that the DPCs of BCZY-YDC-2-1 and BCZY-YDC-1-1 were durable PCFC component materials. The PCFC button cells with the as-discovered BCZY-YDC-2-1 and BCZY-YDC-1-1 as an electrolyte and an anode scaffold, respectively, and the reported Ba–Ce–Fe–Co–O perovskite-perovskite composite as a cathode showed promising performance under H 2 /air gradient.

08 HYDROGEN↗
DOE OSTI2020

Direct Demonstration of Unified Brønsted-Evans-Polanyi Relationships for Proton-Coupled Electron Transfer Reactions on Transition Metal Surfaces

Brønsted-Evans-Polanyi (BEP) relationships, which relate elementary reaction barriers to reaction thermodynamics, have long been discussed in electrochemical science, but demonstration of their existence in heterogeneous electrocatalysis, across many different catalyst surfaces and voltages, is lacking. In this contribution, the BEP model is demonstrated to describe both multiple catalyst surfaces and variable voltages in electrochemical environments. For proton-coupled electron transfer (PCET) to surface nitrogen (N*) and nitric oxide (NO*), reaction energies and activation barriers are calculated using Density Functional Theory (DFT) on a parallel plate capacitor model at three different potentials and for nine different transition metal surfaces. Linear BEP relations that describe all potentials and catalyst surfaces are obtained for these elementary reactions, and the slopes of the correlations are shown to be directly related to the fractional coordinate of the transition states (FCTS) of the reactions. The results, which are explained in terms of Marcus Theory, prove a direct equivalence between unified BEP coefficients, describing both variable catalyst surfaces and voltages, and electrochemical symmetry factors and provide a straightforward means of estimating this quantify for PCET reactions on transition metal surfaces. The resulting relationships, in turn, could lead to predictions of electrocatalytic reactivity trends of enhanced accuracy and efficiency.

Electrochemistry↗
DOE OSTI2022

Molecular determinants of pH sensing in the proton-activated chloride channel

In response to acidic pH, the widely expressed proton-activated chloride (PAC) channel opens and conducts anions across cellular membranes. By doing so, PAC plays an important role in both cellular physiology (endosome acidification) and diseases associated with tissue acidosis (acid-induced cell death). Despite the available structural information, how proton binding in the extracellular domain (ECD) leads to PAC channel opening remains largely unknown. Here, through comprehensive mutagenesis and electrophysiological studies, we identified several critical titratable residues, including two histidine residues (H130 and H131) and an aspartic acid residue (D269) at the distal end of the ECD, together with the previously characterized H98 at the transmembrane domain–ECD interface, as potential pH sensors for human PAC. Mutations of these residues resulted in significant changes in pH sensitivity. Some combined mutants also exhibited large basal PAC channel activities at neutral pH. By combining molecular dynamics simulations with structural and functional analysis, we further found that the β12 strand at the intersubunit interface and the associated “joint region” connecting the upper and lower ECDs allosterically regulate the proton-dependent PAC activation. Our studies suggest a distinct pH-sensing and gating mechanism of this new family of ion channels sensitive to acidic environment.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

The LBNF/DUNE Complex for Neutrino Science

The Long Baseline Neutrino Facility (LBNF) provides the underground detector caverns, the beamline to deliver a 1.2MW proton beam, and a target station to produce neutrinos for the international Deep Underground Neutrino Experiment (DUNE). A mile underground, caverns are being excavated and outfitted at the Sanford Underground Research Facility in South Dakota. The beamline facility and an additional near detector facility will be constructed on the Fermilab site in Illinois. DUNE will make precision neutrino oscillation physics measurements and will be sensitive to neutrinos from supernova bursts, nucleon decay, and beyond-standard-model physics.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS2001

Response of Silicon-Based Linear Energy Transfer Spectrometers: Implication for Radiation Risk Assessment in Space Flights

There is considerable interest in developing silicon-based telescopes because of their compactness and low power requirements. Three such telescopes have been flown on board the Space Shuttle to measure the linear energy transfer spectra of trapped, galactic cosmic ray, and solar energetic particles. Dosimeters based on single silicon detectors have also been flown on the Mir orbital station. A comparison of the absorbed dose and radiation quality factors calculated from these telescopes with that estimated from measurements made with a tissue equivalent proportional counter show differences which need to be fully understood if these telescopes are to be used for astronaut radiation risk assessments. Instrument performance is complicated by a variety of factors. A Monte Carlo-based technique was developed to model the behavior of both single element detectors in a proton beam, and the performance of a two-element, wide-angle telescope, in the trapped belt proton field inside the Space Shuttle. The technique is based on: (1) radiation transport intranuclear-evaporation model that takes into account the charge and angular distribution of target fragments, (2) Landau-Vavilov distribution of energy deposition allowing for electron escape, (3) true detector geometry of the telescope, (4) coincidence and discriminator settings, (5) spacecraft shielding geometry, and (6) the external space radiation environment, including albedo protons. The value of such detailed modeling and its implications in astronaut risk assessment is addressed. c2001 Elsevier Science B.V. All rights reserved.

manned↗
DOE OSTI2023

A novel method for quantifying irradiation damage in nuclear graphite using Raman spectroscopy

Raman spectroscopy has long been used in studying irradiation damage in carbon/graphite materials. It is however unclear if the measurements from different types of materials are directly comparable. Further, decoupling the contribution from irradiation temperature and fluence to the total damage in nuclear graphite possessing irradiation damage gradient is currently not readily feasible as it requires a complete set of test reactor irradiation experiments over the relevant temperature and fluence range. A novel methodology has therefore been proposed and developed to quantify total irradiation damage evolution at crystal level based on graphite Raman G-band position shift. Specifically, G-band positions derived from a large number of spectra collected from the fractured surface of microfine-grained POCO ZXF-5Q graphite possessing proton irradiation damage gradient were plotted with open literature Raman data on HOPG, BEPO (AXGP graphite), PCEA and IG-110 graphite as a function of dpa. The total damage level within 2σ beam radius in this POCO graphite was estimated to be equivalent to ~2–5 dpa at ~350–370 °C. Derived G-band positions were then mapped to the three-stage amorphization trajectory model indicating beam centre area has entered the second stage, i.e., transitioning from nanocrystalline graphite into amorphous carbon. G-band position relative shift (ΔG) curve with a ‘turn-around’ peak as a function of total damage can be used for in-service lifetime prediction. Importantly, the developed methodology has the potential to ‘unify’ total damage levels across different grades of nuclear graphite caused by ion, neutron and proton irradiation at different temperatures.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

IMAGINE: The neutron protein crystallography beamline at the high flux isotope reactor

IMAGINE is a high intensity, quasi-Laue neutron crystallography beamline developed at the 85 MW High Flux Isotope Reactor (HFIR) at Oak Ridge National Laboratory (ORNL). This state-of-the-art facility for neutron-diffraction enables neutron protein structures to be determined at or near atomic resolutions from crystals with volumes of < 1 mm 3 and unit cell edges of < 150 Å. The beamline features include elliptical focusing mirrors that deliver neutrons into a 2.0 × 3.2 mm 2 focal spot at the sample position, and variable short and long wavelength cutoff optics that provide automated exchange between multiple wavelength configurations. The beamline is equipped with a single-axis goniometer, neutron-sensitive cylindrical image plate detector and room temperature and cryogenic sample environments. This article describes the beamline components, the diffractometer and the data collection and data analysis protocols that are used, and outlines the protein deuteration, crystallization and conventional crystallography capabilities that are available to users at ORNL's neutron facilities. We also present examples of the scientific questions being addressed at this beamline and highlight important findings in enzyme chemistry that have been made possible by IMAGINE.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Gas Permeability Test Protocol for Ion-Exchange Membranes

The membrane-based electrolysis of water is a growing topic of interest due to the advantages of employing membranes in hydrogen production efficiency and system safety over the traditional alkaline water electrolysis. Ion-exchange membranes with low gas permeability are highly desirable for stable and safe operation of membrane-based water-splitting technologies, hence gas permeability through ion-exchange membranes needs to be properly assessed with standardized methods. We addressed three methods to measure gas permeability of ion-exchange membranes, a pressure permeation cell, chronoamperometry microelectrodes, and in situ testing of the membrane electrode assembly, and provide a guideline for choosing the appropriate method for the targeted operating conditions of the water electrolyzers.

08 HYDROGEN↗
NASA NTRS1990

The NSSDC trapped radiation model facility

The National Space Science Data Center (NSSDC) trapped radiation models calculate the integral and differential electron and proton flux for given values of the particle energy E, drift shell parameter L, and magnetic field strength B for either solar maximum or solar minimum. The most recent versions of the series of models, which have been developed and continuously improved over several decades by Dr. James Vette and coworkers at NSSDC, are AE-8 for electrons and AP-8 for protons. The present status of the NSSDC trapped particle models is discussed. The limits of validity of the models are described.

Gaffey, John D., Jr.↗
NASA NTRS1993

Solar wind conditions in the outer heliosphere and the distance to the termination shock

The Plasma Science experiment on the Voyager 2 spacecraft has measured the properties of solar wind protons from 1 to 40.4 AU. We use these observations to discuss the probable location and motion of the termination shock of the solar wind. Assuming that the interstellar pressure is due to a 5 micro-G magnetic field draped over the upstream face of the heliopause, the radial variation of ram pressure implies that the termination shock will be located at an average distance near 89 AU. This distance scales inversely as the assumed field strength. There are also large variations in ram pressure on time scales of tens of days, due primarily to large variations in solar wind density at a given radius. Such rapid changes in the solar wind ram pressure can cause large perturbations in the location of the termination shock. We study the nonequilibrium location of the termination shock as it responds to these ram pressure changes. The results of this study suggest that the position of the termination shock can vary by as much as 10 AU in a single year, depending on the nature of variations in the ram pressure, and that multiple crossings of the termination shock by a given outer heliosphere spacecraft are likely. After the first crossing, such models of shock motion will be useful for predicting the timing of subsequent crossings.

Belcher, John W.↗
NASA NTRS1997

The Mars Pathfinder Mission

Mars Pathfinder, one of the first Discovery-class missions (quick, low-cost projects with focused science objectives), will land a single spacecraft with a microrover and several instruments on the surface of Mars in 1997. Pathfinder will be the first mission to use a rover, carrying a chemical analysis instrument, to characterize the rocks and soils in a landing area over hundreds of square meters on Mars, which will provide a calibration point or "ground truth" for orbital remote sensing observations. In addition to the rover, which also performs a number of technology experiments, Pathfinder carries three science instruments: a stereoscopic imager with spectral filters on an extendable mast, an alpha proton X ray spectrometer, and an atmospheric structure instrument/meteorology package. The instruments, the rover technology experiments, and the telemetry system will allow investigations of the surface morphology and geology at submeter to a hundred meters scale, the petrology and geochemistry of rocks and soils, the magnetic properties of dust, soil mechanics and properties, a variety of atmospheric investigations, and the rotational and orbital dynamics of Mars. Landing downstream from the mouth of a giant catastrophic outflow channel, Ares Vallis at 19.5 deg N, 32.8 deg W, offers the potential of identifying and analyzing a wide variety of crustal materials, from the ancient heavily cratered terrain, intermediate-aged ridged plains, and reworked channel deposits, thus allowing first-order scientific investigations of the early differentiation and evolution of the crust, the development of weathering products, and tile early environments and conditions on Mars.

Golombek, Matthew P.↗
NASA NTRS1994

Mars Pathfinder Science Investigations and Objectives

Pathfinder's primary ojective is to demonstrate an inexpensive system for curise, entry, descent, and landing on mars. Additional objective include the deployent and operation of various science instruments: a stereoscopic imager with filters on a pop up mast, and alpha proton x-ray spectometer (APXS), and an atmospheric structure instrument/meteorology package

Mars↗
DOE OSTI2024

Breakthrough Conductivity Enhancement in Deep Eutectic Solvents via Grotthuss–Type Proton Transport

There is an increasing demand for the development of ion-conducting electrolytes for energy storage systems. Much attention is directed toward deep eutectic solvents as potential candidates. In the search for highly conductive systems, the possibility of designing deep eutectic solvents with Grotthuss-type proton transport is widely overlooked. Herein, ethaline, a mixture of choline chloride and ethylene glycol is used in a 1:2 molar ratio, to induce a significant conductivity increase with the addition of water and sulfuric acid (H 2 SO 4 ). The achieved breakthrough conductivity is analyzed experimentally and simulated with ab initio molecular dynamics (AIMD). At sufficient water content, an H-bonding network is formed that leads to a significant breakthrough conductivity based on H 2 SO 4 -derived proton transfer following the long-established Grotthuss proton transport mechanism. This result is substantiated by the positive deviation from the ideal KCl line in the Walden plot. Specifically, the data series positioned above the reference line indicates a Grotthuss mechanism in action. The AIMD simulations demonstrate proton transfer between water and ethylene glycol, supported by simulation frames captured at various times.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Gain characterization of LGAD sensors with beta particles and 28-MeV protons

Low Gain Avalanche Diodes, also known as LGADs, are widely considered for fast-timing applications in high energy physics, nuclear physics, space science, medical imaging, and precision measurements of rare processes. Such devices are silicon-based and feature an intrinsic gain due to a p + -doped layer that allows the production of a controlled avalanche of carriers, with multiplication on the order of 10–100. This technology can provide time resolution on the order of 20–30 ps, and variants of this technology can provide precision tracking too. The characterization of LGAD performance has so far primarily been focused on the interaction of minimum ionizing particles for high energy and nuclear physics applications. This article expands the study of LGAD performance to highly-ionizing particles, such as 28-MeV protons, which are relevant for several future scientific applications, e.g. in biology and medical physics, among others. These studies were performed with a beam of 28-MeV protons from a tandem Van de Graaff accelerator at Brookhaven National Laboratory and beta particles from a ^90Sr source; these were used to characterize the response and the gain of an LGAD as a function of bias voltage and collected charge. Here, the experimental results are also compared to TCAD simulations.

47 OTHER INSTRUMENTATION↗
NASA NTRSDate not supplied

Galactic Cosmic Ray Proton Radiation Dosage Near a Simple Lunar Crater

The Moon has a harsh radiation environment that poses significant challenges to future science and exploration activities. Exposure hazards from space radiation are primarily due to galactic cosmic rays (GCRs) and solar energetic particles (SEPs) that are incident at the lunar surface from all directions. The Lunar Reconnaissance Orbiter’s (LRO) Cosmic Ray Telescope for Effects of Radiation (CRaTER)instrument has been observing space radiation around the Moon since 2009 [1].The CRaTER observations show a steady rate of GCR flux with intermittent SEP events that have much higher fluxes. During solar minimum the GCR have a higher flux rate while the SEP events are less common. On the other hand, during solar maximum the SEP events have a higher rate but the GCR flux is lower. This is due to variations in solar activity. GCR shave characteristic energies spanning from 1 MeV to 10s of GeV[2]. SEPs, however, have much lower energy ranges of 50 keV to 10 GeV. The level of exposure at a given location on the Moon is dependent on the amount of space radiation incident from above the local horizon(Figure 1). This means that, radiation dosage depends on the surrounding terrain for any location on the surface, so it can vary substantially from point to point. Here we consider the radiation exposure around simple lunar craters that are representative of the types of landforms that will be encountered by future landed missions(e.g., the Artemis program)[3]. Of particular concern will be radiation exposure to biological targets, such as astronauts, and to critical electronic systems.

P H Phipps↗