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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
NASA NTRS2026

Improvement in the Thermal-to-Structural Model Mapping Process for Integrated Modeling for the Roman Space Telescope

Integrated Modeling has been a key component of verifying optical requirements for the Nancy Grace Roman Space Telescope (RST) that are either impossible or impractical to verify exclusively through ground testing. Two major areas for integrated Modeling are Jitter and Thermal Distortion that require the exchanges of model performance predictions across disciplines. In both cases, distortions are impressed on optical models to evaluate the impact on boresight alignment and wave front error. In the case of Jitter, the disturbances are driven by reactions to motions most often from actuators; however, in the case of thermal distortion, the motions are driven by thermal expansion or contraction as a result of changing temperatures. This then requires a link further upstream to the thermal model, which is used to predict the thermal performance and temperature gradients and stability. The process for mapping temperatures from a thermal model to a corresponding structural model has been performed numerous times through the RST project lifecycle, with improvements in the accuracy, verification, and effort sought throughout. This paper describes some of the recent improvements to the process, including: capture of the visualization parameters, automatic generation of the mapped images for both the thermal and structural model groupings, and reduction in the effort to assemble the full set of mapped temperatures. These upgrades have greatly reduced the manual effort associated with thermal mapping and allowed for faster turn-around of Integrated Modeling predictions.

Thermal Mapping↗
NASA NTRSDate not supplied

Roman Optical Telescope Assembly (OTA) Build and Integration Progress

The Nancy Grace Roman Space Telescope (RST) is a Hubble-class telescope with a large field of view for large surveys of the sky, cold temperatures for enabling near infrared imaging, and controlled temperature stability for long exposures and coronagraphy. The OTA includes the primary mirror, secondary mirror, and aft optics for guiding light into the Wide Field Instrument and the Coronagraph Instrument. The testing of the optical assemblies and structures are nearly complete in preparation for telescope integration. Pictures and descriptions of the assemblies are provided, followed by performance results measured at these level of assemblies. The assemblies are nearly complete as they are tested through thermal cycling to cold temperatures for infrared operation, mechanical strength and vibration, and optically testing. Optical surface figure error results are shown for all the optical surfaces.

RST↗
DOE OSTI2020

Islands in asymptotically flat 2D gravity

The large-$\textit{N}$ limit of asymptotically flat two-dimensional dilaton gravity coupled to $\textit{N}$ free matter fields provides a useful toy model for semiclassical black holes and the information paradox. Analyses of the asymptotic information flux as given by the entanglement entropy show that it follows the Hawking curve, indicating that information is destroyed in these models. Recently, motivated by developments in AdS/CFT, a semiclassical island rule for entropy has been proposed. We define and compute the island rule entropy for black hole formation and evaporation in the large-$\textit{N}$ RST model of dilaton gravity and show that, in contrast, it follows the unitary Page curve. The relation of these two observations, and interesting properties of the dilaton gravity island rule, are discussed.

2D Gravity↗
DOE OSTI2022

Water film-driven Mn (oxy)(hydr)oxide nanocoating growth on rhodochrosite

Minerals exposed to moist air stabilize thin water films that drive a score of chemical reactions of great importance to water-unsaturated terrestrial environments. In this study, we identified Mn (oxy)(hydr)oxide nanocoatings formed by the dissolution, oxidation and precipitation of Mn in oxygenated water films grown on rhodochrosite (MnCO 3 ) microparticles. Nanocoatings that could be identified by vibrational spectroscopy, X-ray diffraction, X-ray photoelectron spectroscopy, and (scanning and transmission) electron microscopy formed in water films containing the equivalent of at least 7 monolayers (~84 H 2 O/nm 2 ). These films were formed by exposing microparticles to moist air with at least 50% relative humidity (RH). Films of neutral pH reacted up to 14% of the Mn II located in the topmost ~5 nm region of the microparticles in atmospheres of up to 90% RH for 7 d. These reactions produced MnOOH, birnessite (MnO 2 ) and hausmannite (Mn 3 O 4 ) nanoparticles of low crystallinity, while exposure to atmospheric air for 1 yr. converted only 2% of Mn II in this region to MnOOH. In contrast, reactions in alkaline water films converted up to ~75% of the Mn II but only after 16 d of reaction. These films produced MnOOH and MnO 2 of low crystallinity, as well as crystalline hausmannite. Kinetic modeling of the time-resolved growth of the Mnsingle bondO stretching vibrational bands of these nanocoatings revealed two concurrent reaction processes. A 1 rst -order process was assigned to nucleation events terminating only after a few hours, and a 0-order process was assigned to the sustained growth of nanocoatings from these nuclei over longer reaction time. By identifying nanocoatings formed by water film-driven reactions on rhodochrosite, our study adds new insight into mineralogical transformations relevant to anoxic–oxic boundaries in water-unsaturated environments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Water-based Liquid Scintillator detector as a new technology testbed for neutrino studies in Turkey

This study investigates the deployment of a medium-scale neutrino detector near Turkey's rst nuclear power plant, the Akkuyu Nuclear Power Plant. The aim of this detector is to become a modular testbed for new technologies in the elds of new detection media and innovative photosensors. Such technologies include Water-based Liquid Scintillator (WbLS), Large Area Picosecond Photo- Detectors (LAPPDs), dichroic Winston cones, and large area silicon photomul- tiplier modules. Here, the detector could be used for instantaneous monitoring of the Akkuyu Nuclear Power Plant via its antineutrino ux. In addition to its physics and technological goals, it would be an invaluable opportunity for the nuclear and particle physics community in Turkey to play a role in the development of next generation of particle detectors in the eld of neutrino physics.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Mechanisms of Al3+ dimerization in alkaline solutions

The molecular speciation of aluminum (Al3+) in alkaline solutions is fundamental to its precipitation chemistry within a number of industrial applications that include ore renement and industrial processing of Al wastes. Under these conditions, Al3+ is predominantly Al(OH) {4 , while at high [Al] dimeric species also known to form. To date, the mechanism of dimer formation remains unclear and it is likely infuenced by complex ion ion interactions. In the present work, we investigate the role of ion pairing and a suite of potential dimerization pathways using a three-pronged approach that consists of density functional theory-based molecular dynamics (DFTMD), static DFT calculations (sDFT) and semi-empirical density functional tight binding molecular dynamics (SEMD). Specic cation eects imparted by the background electrolyte cations Na+, Li+ and K+ have been examined. Our simulations predict that when the Al species are ion paired with either cation the formation of the oxo-bridged Al2O(OH) 2{6 is favored with respect to the dihydroxo-bridged Al2(OH) 2{8 , in agreement with previousspectroscopic work. The formation of both dimers rst proceeds by bridging of two monomeric units via one hydroxo ligand, leading to a labile Al2(OH) 2{8 isomer. The eect of contact ion pairing of Li+ and K+ on the dimerization energetics is distinctly more favorable than that of Na+, which may have an impact on further ligomerization.

Pouvreau, Maxime↗
DOE OSTI2022

Near-Quantitative Predictions of the First-Shell Coordination Structure of Hydrated First-Row Transition Metal Ions Using K-Edge X-ray Absorption Near-Edge Spectroscopy

Understanding the solvation structure of transition metal ions is important due to its broad impact on the kinetics, stability, and reactivity in a variety of applications in geochemistry, biochemistry, energy storage, and environmental chemistry. Using water as the common ligand, we study the X-ray absorption pre-edge and near-edge spectra at the K-edge of a near-complete series of hydrated first-row transition metal ions with d-orbital occupancy ranging from d 2 to d 10 . Starting with optimized structures that were derived from an explicit solvation treatment at the density functional theory (DFT) level, we then compute the pre-edge X-ray absorption spectra at the metal ion K-edge at the time dependent density functional theory (TDDFT) and restricted active-space second-order perturbation theory (RASPT2) levels of theory. TDDFT calculations provide accurate results for spectra that are dominated by single excitations, while significant improvements were obtained with RASPT2 calculations that correctly distinguish between singly and doubly excited states, where relevant, with quantitative accuracy compared with experiment. We analyze and assign the dierent pre-edge features for each metal ion in order to reveal the impact of the variations in the d orbital occupancy on the rst-shell coordination environment. For completeness, we also report the lowest energy ligand-field d-d transitions for all the transition metal aqua ions considered in this study using complete active space second order perturbation theory (CASPT2).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Evidence of Skewness and Sub-Gaussian Character in Temperature-Dependent Distributions of One Million Electronic Excitation Energies in PbS Quantum Dots

Obtaining statistical distributions by sampling a large number of conformations is vital for an accurate description of temperature-dependent properties of chemical systems. However, constructing distributions with 105??106 samples is computationally challenging because of the prohibitively high computational cost of performing rst-principles quantum-mechanical calculations. In this work, we present a new technique called the Eective Stochastic Potential Conguration Interaction Singles (ESP-CIS) method to obtain excitation energies. The ESP-CIS method uses random matrix theory for the construction of an eective stochastic representation of the Fock operator and combines it with linear-response theory. Here, we perform excitation calculations on PbS quantum dots (0.75-1.75 nm) at temperatures of 200-400 K. Results from a total of 15 million excitation energy calculations (1 million samples for each of the three dots at ve dierent temperatures) revealed the distributions to be sub-Gaussian in nature with negative skewness. The distributions progressively became red-shifted with increasing temperature. The study shows that random distortions in structure from the minimum-energy geometry of these quantum dots are more likely to lower the excitation energies.

Scher, Jeremy A.↗
DOE OSTI2020

Identification and Description of a Silicic Volcaniclastic Layer in Gale Crater, Mars, Using Active Neutron Interrogation

The Dynamic Albedo of Neutrons instrument aboard the Mars Science Laboratory rover, Curiosity, has been used to map a stratigraphically-conformable layer of high-SiO 2 material in Gale crater. Previous work has shown this material contains tridymite, a high-temperature/low-pressure felsic mineral, interpreted to have a volcanic source rock. We describe several characteristics including orientation, extent, hydration, and geochemistry, consistent with a volcaniclastic material conformably deposited within a lacustrine mudstone succession. Relationships with widely dispersed alteration features and orbital detections of hydrated SiO 2 suggest that this high-SiO 2 layer extends at least 17 km laterally. Mineralogical abundances previously reported for this high-SiO 2 material indicated that hydrous species were restricted to the amorphous (non-crystalline) fraction, which is dominated by SiO2. The low mean bulk hydration of this high-SiO 2 layer (1.85 ± 0.13 wt.% water-equivalent hydrogen) is consistent with silicic glass in addition to opal-A and opal- CT. Persistent volcanic glass and tridymite in addition to opal in an ancient sedimentary unit indicates that the conversion to more ordered forms of crystalline SiO 2 has not proceeded to completion and that this material has had only limited exposure to water since it originally erupted, despite having been transported in a uviolacustrine system. Our results, including the conformable nature, large areal extent, and presence of vol- canic glass, indicate that this high-SiO 2 material is derived from the product of evolved magma on Mars. This is the rst identi cation of a silicic volcaniclastic layer on another planet, and has important implications for magma evolution mechanisms on single-plate planets.

58 GEOSCIENCES↗
DOE OSTI2020

Unified Entrainment and Detrainment Closures for Extended Eddy-Diffusivity Mass-Flux Schemes

The extended Eddy Diffusivity Mass Flux (EDMF) scheme is used as a unied parameterization that simulates subgrid-scale dynamics across a range of regimes.This work presents unied entrainment and detrainment closures that allow this scheme to simulate the dry convective boundary layer, shallow convection and deep convection , while adjacent works present other necessary closures for this unied scheme and test its performance for stable, stratocumulus topped and convective boundary layers. Entrainment and detrainment are modeled as a combination of turbulent and dynamical processes. The turbulent component is taken as downgradient diffusion between subdomains. The dynamical component is based on a ratio of buoyancy and vertical velocity that ensures consistent treatment of the ratio of mass-flux at vanishing area fraction. Dynamical detrainment is controlled by the difference in relative humidity between subdomains when liquid water is present. These closures are rst evaluated with entrainment and detrainment diagnosed from Large Eddy Simulations where decaying tracers are used to identify the different subdomains and mass exchanges between them. When implemented in a single column model (SCM), these closures are tested in simulations of several observationally motivated cases of dry convective boundary layer, shallow convection and deep convection. Results show good agreement between the SCM and Large Eddy Simulations in key properties for climate models and profiles of first, second and third moments. The development of diurnal cycles and the onset of and precipitation (with simplified microphysics) are well predicted by the SCM.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Ab Initio Methods for L-edge X-ray Absorption Spectroscopy

The theoretical prediction of X-ray absorption spectra (XAS) has become common- place in electronic structure theory. The ability to better model and understand L-edge spectra is of great interest in the study of transition metal complexes and a wide variety of solid state materials. However, until recently few rst-principles works have mod- eled L-edge XAS due to the presence of strong spin-orbit coupling in the 2p orbitals which splits the observed peaks into multiple groups of features. Therefore, a proper description of spin-orbit coupling is vital for the successful prediction of L-edge spectra. A number of new approaches that incorporate spin-orbit coupling have recently made advances in the computation of L-edge spectra. In this review, we describe recent work in computational L-edge XAS and how these methods may continue to improve in the future. Comparison of the advantages and disadvantages of the various approaches are considered, with special attention to not only the computational cost of the level of theory, but also the various approaches that can be used to compute the absorption spectra with a large number of high energy excited states.

Kasper, Joseph M.↗
DOE OSTI2020

Stabilization of Liner Implosions via a Dynamic Screw Pinch

Magnetically driven implosions are susceptible to magnetohydrodynamic instabilities, including the magneto-Rayleigh-Taylor instability (MRTI). To reduce MRTI growth in solid-metal liner implo-sions, the use of a dynamic screw pinch (DSP) has been proposed [P. F. Schmit et al., Phys. Rev. Lett. 117, 205001 (2016)]. In a DSP con guration, a helical return-current structure surrounds the liner, resulting in a helical magnetic eld that drives the implosion. Here, we present the rst experimental tests of a solid-metal liner implosion driven by a DSP. Using the 1-MA, 100{200-ns COBRA pulsed-power driver, we tested three DSP cases (with peak axial magnetic elds of 2 T, 14 T, and 20 T) and a standard z-pinch (SZP) case (with a straight return-current structure and thus zero axial eld). The liners had an initial radius of 3.2 mm and were made from 650-nm-thick aluminum foil. Images collected during the experiments reveal that helical MRTI modes developed in the DSP cases, while non-helical (azimuthally symmetric) MRTI modes developed in the SZP case. Additionally, the MRTI amplitudes for the 14-T and 20-T DSP cases were smaller than in the SZP case. Speci cally, when the liner had imploded to half of its initial radius, the MRTI amplitudes for the SZP case and for the 14-T and 20-T DSP cases were, respectively, 1.1-0.3 mm, 0.7-0.2 mm, and 0.3-0.1 mm. Relative to the SZP, the stabilization obtained using the DSP agrees reasonably well with theoretical estimates.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Aftershocks of a Chemical Explosion in Granite from the Source Physics Experiment Phase I

The Source Physics Experiment (SPE) is a multiphase experiment to better understand explosion source physics and thereby improve explosion monitoring. The rst phase (Phase I) examined the explosion source in a hard-rock medium and took place in a granite outcrop called the Climax Stock section of the Nevada National Security Site (NNSS). This series of chemical explosions are called the Wet Granite Geology (WGG) events, but are usually referred to simply as the SPE events (i.e., SPE-1, SPE-2, etc.). Event information for the chemical explosions is given in Table 1. The study of explosion aftershocks can aid in understanding of in-situ stresses and be used as a discriminant for earthquakes [Ford and Walter, 2010]. Sweeney and Harben reported no observed aftershocks for SPE-1 and -2, respectively. They calculated a minimum magnitude of observation based on the noise oor of the seismic array and predicted at least one or two events in the week after the events using the hard-rock aftershock model from Ford and Labak. Possible explanations for the null observation ranged from instrumental - poor seismometer coupling, to physical - the shallow depth of burial was unable to access the deep tectonic stress that causes some explosion aftershocks. We extend the analysis of Sweeney and Harben to the largest of the SPE Phase I chemical explosions, SPE-5, which was approximately a 5 tonne TNT-equivalent shot at 76.5 m depth. This event registered as an M L 2 on the University of Nevada, Reno seismic network and should produce a measurable aftershock sequence.

58 GEOSCIENCES↗
DOE OSTI2020

New Mexico Cybersecurity Center Institute 2020 Experience

The New Mexico Cybersecurity Center 2020 Summer Institute with Sandia National Laboratories was the rst ever for the New Mexico Cybersecurity Centers. Due to the occurrence of the COVID-19 global pandemic during the summer of 2020 some unforeseen challenges had to be faced in running the institute, such as the fact that all students had to work remotely. This document details the students involved in the institute and their contributions to Sandia projects over the summer of 2020, as well as an analysis on how to successfully run a summer institute via distance.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Low-Energy Cooling for Electron Ion Collider

Luminosity parameters at the highest hadron energy in the Electron Ion Collider (EIC) require a proton beam with a small vertical emittance. Such a small emittance can be obtained using the technique of electron cooling, by pre-cooling of the proton bunches at an injection energy of 23:8 GeV. After pre-cooling, the proton bunches are accelerated to the maximum energy for collisions. Once at the top energy, such proton bunches can be refilled frequently to maintain a high average luminosity, or, alternatively, cooling at the top energy could be provided with relaxed requirements of just counteracting the emittance growth due to Intra-Beam Scattering (IBS) and thus maintaining the luminosity close to its initial peak value. Presently, several schemes of cooling at the top energy of 275 GeV are being considered with the goal to maintain the initial proton beam parameters, thus relying on pre-cooling at the low energy to obtain such initial parameters of proton bunches. For the lowest proton collision energy of 41 GeV in the EIC, there is a need for an electron cooler which counteracts the beam emittance growth due to IBS. This can be achieved by the same electron cooler which is used for cooling of protons at 23.8 GeV. In this case, we assume the electron cooler rst pre-cools protons at an injection energy of 23.8 GeV and then, after acceleration, cools the 41 GeV protons, counteracting IBS and maintaining the beam emittances. In this report, we summarize a feasibility study of an electron cooler that would be needed to cool protons at 23.8 GeV to obtain a small vertical emittance, as well as to counteract beam growth due to IBS for collisions at 41 GeV. The traditional electron cooling system employed at a typical low-energy cooler is based on an electron beam generated with an electrostatic electron gun in DC operating mode, immersed in a longitudinal magnetic field. To cool protons at 23.8 and 41 GeV, electron beam energies of 13.0 and 22.3MeV, respectively, are required. Due to the technical limitations of static high-voltage acceleration, these beam energies require RF acceleration of a pulsed electron beam. Electron cooling using RF-accelerated electron bunches was recently successfully commissioned in RHIC, allowing us to consider such an approach for EIC low-energy electron cooling.

43 PARTICLE ACCELERATORS↗
DOE OSTI2020

Isospin dependence of Nucleon-Nucleon Short-range Correlations in Inclusive Scattering with Tritium and Helium-3

The nucleon-nucleon (NN) potential has a strong repulsive core. When a two-nucleon (sub)system falls into this range, they will interact strongly at short distance, and move away from each other with momenta above the Fermi level. This is called the NN Short range Correlations (SRCs). Previous experiments reported a neutron-proton pair (isos inglet) dominance in high-momentum nucleons. In inclusive electron scattering, this np dominance will cause a scaling behavior of cross sections at 1.4 < xbj = Q2/2m? < 2 where the high-momentum nucleons dominate. At Je?erson Lab Hall A we checked this hypothesis with electron Quasi-elastic (QE) scattering on A=3 nuclei systems. Our unique gas cell design made electron-tritium scattering possible for the ?rst time in a decade. The 2H, 3H, and 3He inclusive cross sections at 1 < xbj < 3 were measured in two experiments (E12-11-112 and E12-14-011) with a wide Q2 range (0.4 < Q2 < 3 GeV2). This thesis dis cusses the physics goals, experiment setup, and data analysis of the E12-11-112 experiment. Ratios of 3H/2H, 3He/2H and 3H/3He as well as absolute cross sections are presented at 0.4 < Q2 < 1.8 GeV2. NN SRC plateaus are observed in the cross section ratios at high Q2. The 3H/3He ratio of 0.84±0.01 at NN SRC dominant kinematics indicates a np to pp SRC pair ratio of 2.2±0.2 in A=3 nuclei. That implies a preference in T = 0 isospin singlet con?guration. No plateaus are observed at xbj > 2.

Li, Shujie↗
DOE OSTI2023

Aerosol Manufacturing Technology to Produce Low-Cobalt Li-ion Battery Cathodes

Although considerable progress has been made with battery materials over the last 10 years, the cathode remains a major performance-limiting material in Li-ion battery (LIB) technology. New materials and battery chemistries will overcome some of the remaining challenges, but cathode materials must also be manufactured at a lower cost and with a smaller environmental footprint using new processes that can also enable improved control over stoichiometry, morphology, and compositional homogeneity. Cabot, Argonne National Laboratory and SAFT research teams are combining their extensive expertise in particle synthesis, battery materials and cell design to develop a low-cost, flexible aerosol manufacturing technology for production of high-performance cathode active materials (CAM). This project will develop low-Co CAMs via Reactive Spray Technology (RST) and Flame Spray Pyrolysis (FSP) to reach performance targets of < 50 mg Cobalt/Wh.

25 ENERGY STORAGE↗