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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 NTRS1988

Fermi acceleration of Lyman-alpha photons by shocks

The repeated scattering of Ly-alpha radiation across a shock front results in a systematic blueshift which may greatly exceed the shock velocity vs and is proportional to cube root of (Nvs), where N is the column density of hydrogen atoms on either side of the shock front. The blueshifting process is similar to the Fermi acceleration of cosmic rays and may be responsible for the blue asymmetric line profiles that have been observed in high-redshift Ly-alpha galaxies. The Ly-alpha line profile in 3C 326.1 is accounted for by a model in which shocks, driven into a population of interstellar clouds by a radio lobe, trigger the formation of ionizing stars and Fermi accelerate the Ly-alpha radiation emitted by H II regions surrounding those stars. Galaxy mergers, particularly between galaxies with low dust content, should produce Ly-alpha lines with strong blue wings.

Neufeld, David A.↗
NASA NTRS1993

Diffusion in liquid state and solidification of binary system (M-7)

Diffusion is one of the most fundamental physical phenomena. It relates to the manufacturing of almost all materials. Therefore, the precise knowledge of diffusivities of relevant materials is necessary for the optimization of these processes. On the other hand, such knowledge is indispensable to understanding the diffusion mechanism and structure of liquid metal in the field of physical metallurgy. Many diffusion experiments on solid metal were undertaken and a lot of data were accumulated. But on liquid metals there are few measurements because of experimental difficulties, such as thermal convection, induced by very slight temperature gradients in the specimen. Under microgravity conditions, the movement of liquid metal due to density differences and thermal convection must be suppressed markedly. Therefore, the transportation process will be controlled only by the diffusion of constituent atoms. These conditions offer the optimum environments for the diffusion experiment. The experiments are briefly described. Diffusion couples are prepared by attaching end to end two rods of different pure metals using hot press equipment. These couples are inserted into a graphite crucible and then doubly enclosed by two silica ampoules, respectively. The specimen is inserted into a tantalum cartridge, which is welded in a vacuum using an electron-beam apparatus. These cartridges are charged in the continuous heating furnace in space and held at a given temperature for a predetermined time and then solidified. The concentration distribution of elements in these specimens will be measured along the rod axis by means of an electron probe microanalyzer. The counterdiffusivity of the liquid metal binary system is determined on the basis of the compensated concentration distribution profile for thermal contraction.

Dan, T.↗
NASA NTRS1995

Spray combustion at normal and reduced gravity in counterflow and co-flow configurations

Liquid fuel dispersion in practical systems is typically achieved by spraying the fuel into a polydisperse distribution of droplets evaporating and burning in a turbulent gaseous environment In view of the nearly insurmountable difficulties of this two-phase flow, a systematic study of spray evaporation and burning in configurations of gradually increasing levels of complexity, starting from laminar sprays to fully turbulent ones, would be useful. A few years ago we proposed to use an electrostatic spray of charged droplets for this type of combustion experiments under well-defined conditions. In the simplest configuration, a liquid is fed into a small metal tube maintained at several kilovolts relative to a ground electrode few centimeters away. Under the action of the electric field, the liquid meniscus at the outlet of the capillary takes a conical shape, with a thin jet emerging from the cone tip (cone-jet mode). This jet breaks up farther downstream into a spray of charged droplets - the so-called ElectroSpray (ES). Several advantages distinguish the electrospray from alternative atomization techniques: (1) it can produce quasi-monodisperse droplets over a phenomenal size range; (2) the atomization, that is strictly electrostatic, is decoupled from gas flow processes, which provides some flexibility in the selection and control of the experimental conditions; (3) the Coulombic repulsion of homopolarly charged droplets induces spray self-dispersion and prevents droplet coalescence; (4) the ES provides the opportunity of studying regimes of slip between droplets and host gas without compromising the control of the spray properties; and (5) the compactness and potential controllability of this spray generation system makes it appealing for studies in reduced-gravity environments aimed at isolating the spray behavior from natural convection complications. With these premises, in March 1991 we initiated a series of experiments under NASA sponsorship (NAG3-1259 and 1688) in which the ES was used as a research tool to examine spray combustion in counter-flow and co-flow spray diffusion flames, as summarized below. The ultimate objective of this investigation is to examine the formation and burning of sprays of liquid fuels, at both normal and reduced gravity, first in laminar regimes and then in turbulent ones.

Gomez, Alessandro↗
NASA NTRS2015

Atomically Precise Surface Engineering for Producing Imagers

High-quality surface coatings, and techniques combining the atomic precision of molecular beam epitaxy and atomic layer deposition, to fabricate such high-quality surface coatings are provided. The coatings made in accordance with the techniques set forth by the invention are shown to be capable of forming silicon CCD detectors that demonstrate world record detector quantum efficiency (>50%) in the near and far ultraviolet (155 nm-300 nm). The surface engineering approaches used demonstrate the robustness of detector performance that is obtained by achieving atomic level precision at all steps in the coating fabrication process. As proof of concept, the characterization, materials, and exemplary devices produced are presented along with a comparison to other approaches.

Greer, Frank↗
DOE OSTI2017

Transient RF and Optical Plasma Signatures, STL-024-17, Year 1 of 2

Presentation addresses effort to improve understanding of correlations between physical processes and RF signatures by characterizing spectroscopically distinct species (ionic, atomic, molecular) and spectroscopically indistinct charged clusters associated with laser ablation of graphite, and other relevant substrates, under controlled conditions.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2019

Safety Classification and Design Rules for Structures, Systems and Components in a Near Surface Disposal Facility-Post Closure Phase - 19716

Canadian Nuclear Laboratories (CNL) is developing a Near Surface Disposal Facility (NSDF) to be constructed at its Chalk River Laboratories (CRL) site. In general, a NSDF is a facility for radioactive waste disposal, under an engineered cover, located at or within a few meters of the earth's surface. The NSDF will establish a safe, local and permanent means for the disposal of low level radioactive waste. The NSDF is intended to dispose historic waste currently in interim storage as well as waste arising from building decommissioning and environmental remediation activities. The NSDF is to be composed of engineered containment mound, waste water treatment plant and other supporting facilities and infrastructures that are needed to preserve radioactive waste. The NSDF life cycle will comprise two distinct phases: pre closure and post closure. The pre closure phase involves construction, operation and closure activities. The post closure phase includes institutional control and post-institutional control to ensure long term safety and radiological acceptability of the disposal facility. As part of the evolving activities for the NSDF project, a process is developed in accordance with Canadian regulations and International Atomic Energy Agency (IAEA) principles to classify systems that comprise NSDF for safe operation, long term safety of the disposal facility and the protection of workers, the public and the environment. This paper describes the methodology developed to classify Structures, Systems and Components (SSCs) important to safety in post closure phase and determine their design rules. The design rules are the relevant codes, standards and proven engineering practices that should be applied, as appropriate, to the design of SSCs to meet the applicable design requirements. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Massive all-atom analysis of 2D materials with quantum properties (Final report)

Improvements in microscopy have enabled the acquisition of data at a scale that is difficult to process manually, making automated machine learning approaches to analyzing experimental images essential. In this project, we developed and applied machine learning (ML) workflows for atomic resolution scanning transmission electron microscopy (STEM) images. This development included improving both methodology as well as generating user-friendly codes. We developed machine learning architectures which, after training, automatically identify the location and types of defects throughout a material. We used these data to produce class-averaged images of 2D atomic coordinates with up to 0.3 pm precision, uncovering the structure and oscillations of long-range strain fields around point defects in WSe 2-2x Te 2x . We also resolved a long-standing problem in this field in the training of ML models, a lack of labeled experimental data, by developing a cycle-GAN that transformed simulated-generated labeled data into labeled data indistinguishable from experiment and therefore suitable for training. This removed the remaining parts of the ML data processing workflow where human intervention was still critical and therefore a bottleneck to working at scale. Codes have been developed and released for this full machine learning workflow. ML approaches to partially automate STEM acquisition were also developed. Finally we applied ML and other advanced data processing methods to several materials science problems in two-dimensional materials, including studying the evolution of hyperuniformity with defect concentration in WSe2, understanding phase transformations in transition metal dichalcogenides during in-situ heating in the STEM, and exploring how 2D interfaces transform from twisted into aligned structures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2010

Formula for the Removal and Remediation of Polychlorinated Biphenyls in Painted Structures

An activated metal treatment system (AMTS) removes and destroys polychlorinated biphenyls (PCBs) found in painted structures or within the binding or caulking material on structures. It may be applied using a "paint-on and wipe-off" process that leaves the structure PCB-free and virtually unaltered in physical form. AMTS is used in conjunction with a solvent solution capable of donating hydrogen atoms. AMTS as a treatment technology has two functions: first, to extract PCBs from the material, and second, to degrade the extracted PCBs. The process for removing PCBs from structures is accomplished as an independent step to the degradation process. The goal is to extract the PCBs out of the paint, without destroying the paint, and to partition the PCBs into an environmentally friendly solvent. The research to date indicates this can be accomplished within the first 24 hours of AMTS contact with the paint. PCBs are extremely hydrophobic and prefer to be in the AMTS over the hardened paint or binder material. The solvent selected must be used to open, but not to destroy, the paint s polymeric lattice structure, allowing pathways for PCB movement out of the paint and into the solvent. A number of solvent systems were tested and are available for use within the AMTS. The second process of the AMTS is the degradation or dehalogenation of the PCBs. The solvent selection for this process is limited to solvents that are capable of donating a hydrogen atom to the PCB structure. Additional AMTS formulation properties that must be addressed for each site-specific application include viscosity and stability. The AMTS must be thick enough to remain where it is applied. Several thickening agents have been tested. Adding a stabilizing agent ensures that the AMTS will not evaporate and leave unprotected, activated metal exposed. During AMTS formulation testing, a number of reagents were evaluated to ensure the rate of dehalogenation was not inhibited by its addition to the system.

Quinn, Jacqueline↗
DOE OSTI2023

Ultrasmooth Epitaxial Pt Thin Films Grown by Pulsed Laser Deposition

Platinum (Pt) thin films are useful in applications requiring high-conductivity electrodes with excellent thermal and chemical stability. Ultrasmooth and epitaxial Pt thin films with single-crystalline domains have the added benefit of providing ideal templates for the subsequent growth of heteroepitaxial structures. Here, we grow epitaxial Pt (111) electrodes (ca. 30 nm thick) on sapphire (α-Al 2 O 3 (0001)) substrates with pulsed laser deposition. This versatile technique allows control of the growth process and fabrication of films with carefully tailored parameters. X-ray scattering, atomic-force microscopy, and electron microscopy provide structural characterization of the films. Various gaseous atmospheres and temperatures were explored to achieve epitaxial growth of films with low roughness. A two-step (500 °C/300 °C) growth process was developed, yielding films with improved epitaxy without compromising roughness. The resulting films possess ultrasmooth interfaces (<3 Å) and high electrical conductivity (6.9 × 10 6 S/m). Finally, Pt films were used as current collectors and templates to grow lithium manganese oxide (LiMn 2 O 4 (111)) epitaxial thin films, a cathode material used in Li-ion batteries. In conclusion, using a solid-state ionogel electrolyte, the films were highly stable when electrochemically cycled in the 3.5-4.3 V vs Li/Li + range.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Near-zero-field magnetoresistance measurements: A simple method to track atomic-scale defects involved in metal-oxide-semiconductor device reliability

We demonstrate the ability of a relatively new analytical technique, near-zero-field magnetoresistance (NZFMR), to track atomic-scale phenomena involved in the high-field stressing damage of fully processed Si metal-oxide-semiconductor field-effect transistors. We show that the technique is sensitive to both the Pb0 and Pb1 dangling bond centers and that the presence of both centers can be inferred through NZFMR via hyperfine interactions with the central 29Si atoms of the dangling bonds. The NZFMR results also provide evidence for the redistribution of mobile hydrogen atoms at the Si/SiO2 interface and also a potential change in the average dipolar coupling constant between electrons in neighboring defects. This work shows that NZFMR offers significant analytical power for studying technologically relevant semiconductor device reliability problems and has advantages in experimental simplicity over comparable techniques.

Moxim, Stephen J. (ORCID:0000000309659904)↗
DOE OSTI2019

Femtosecond x-ray diffraction reveals a liquid–liquid phase transition in phase-change materials

In phase-change memory devices, a material is cycled between glassy and crystalline states. The highly temperature-dependent kinetics of its crystallization process enables application in memory technology, but the transition has not been resolved on an atomic scale. Using femtosecond x-ray diffraction and ab initio computer simulations, we determined the time-dependent pair-correlation function of phase-change materials throughout the melt-quenching and crystallization process. We found a liquid–liquid phase transition in the phase-change materials Ag 4 In 3 Sb 67 Te 26 and Ge 15 Sb 85 at 660 and 610 kelvin, respectively. The transition is predominantly caused by the onset of Peierls distortions, the amplitude of which correlates with an increase of the apparent activation energy of diffusivity. This reveals a relationship between atomic structure and kinetics, enabling a systematic optimization of the memory-switching kinetics.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1993

The nature of the hydrogen tori of Titan and Triton

The nature of the hydrogen tori of Titan and Triton is examined. Critical time scales of the two tori are discussed. For the Titan torus, where atom-atom collisions are not important, the time scale for solar radiation pressure to act on the system is shown to be comparable to the hydrogen lifetime due to ionization and charge exchange losses by solar, magnetospheric, and solar wind processes. The solar radiation pressure then provides a mechanism which destroys the initial azimuthal symmetry of the hydrogen atom orbits about the planet and causes atom orbits to move inward and to collide with the planet on its dusk side. For Triton, the atom-atom collision time scale dominates all other time scales in the system. The evolution of the torus is then an inherently nonlinear problem that depends upon the collisional redistribution of atom-orbit velocities in the presence of a planetary gravitational force field. This nonlinear process introduces an expansion mechanism into the torus problem which dramatically alters its structure.

Smyth, William H.↗
DOE OSTI2024

Catalytic, Spectroscopic, and Theoretical Studies of Fe 4 S 4 -Based Coordination Polymers as Heterogenous Coupled Proton–Electron Transfer Mediators for Electrocatalysis

Iron–sulfur clusters play essential roles in biological systems, and thus synthetic [Fe 4 S 4 ] clusters have been an area of active research. Recent studies have demonstrated that soluble [Fe 4 S 4 ] clusters can serve as net H atom transfer mediators, improving the activity and selectivity of a homogeneous Mn CO 2 reduction catalyst. Here, in this work, we demonstrate that incorporating these [Fe 4 S 4 ] clusters into a coordination polymer enables heterogeneous H atom transfer from an electrode surface to a Mn complex dissolved in solution. A previously reported solution-processable Fe 4 S 4 -based coordination polymer was successfully deposited on the surfaces of different electrodes. The coated electrodes serve as H atom transfer mediators to a soluble Mn CO 2 reduction catalyst displaying good product selectivity for formic acid. Furthermore, these electrodes are recyclable with a minimal decrease in activity after multiple catalytic cycles. The heterogenization of the mediator also enables the characterization of solution-phase and electrode surface species separately. Surface enhanced infrared absorption spectroscopy (SEIRAS) reveals spectroscopic signatures for an in situ generated active Mn–H species, providing a more complete mechanistic picture for this system. The active species, reaction mechanism, and the protonation sites on the [Fe 4 S 4 ] clusters were further confirmed by density functional theory calculations. The observed H atom transfer reactivity of these coordination polymer-coated electrodes motivates additional applications of this composite material in reductive H atom transfer electrocatalysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Atomically Fine-Tuning Organic–Inorganic Carbon Molecular Sieve Membranes for Hydrogen Production

Polymeric membranes with great processability are attractive for the H 2 /CO 2 separation required for hydrogen production from renewable biomass with carbon capture for utilization and sequestration. However, it remains elusive to engineer polymer architectures to obtain desired sub-3.3 Å ultramicropores to efficiently sieve H 2 from CO 2 . Herein, we demonstrate a scalable way of carbonizing polybenzimidazole (PBI) at low temperatures, followed by vapor phase infiltration (VPI) to atomically narrow ultramicropores throughout the films, forming hybrid organic–inorganic carbon molecular sieves (CMSs). One VPI cycle (100 s) for the PBI carbonized at 500 °C remarkably increases H 2 /CO 2 selectivity from 9.6 to 83 at 100 °C, surpassing Robeson’s upper bound. The CMS demonstrates a stable H 2 /CO 2 separation performance when challenged with simulated syngas streams and can be fabricated into thin-film composite membranes, outperforming state-of-the-art membranes. Finally, the scalable approach can be ubiquitous to molecularly fine-tune ultramicropores of leading polymeric membranes to further improve their size-sieving ability and thus separation efficiency.

36 MATERIALS SCIENCE↗
NASA NTRS2012

Observing Planets and Small Bodies in Sputtered High Energy Atom (SHEA) Fluxes

The evolution of the surfaces of bodies unprotected by either strong magnetic fields or thick atmospheres in the Solar System is caused by various processes, induced by photons, energetic ions and micrometeoroids. Among these processes, the continuous bombardment of the solar wind or energetic magnetospheric ions onto the bodies may significantly affect their surfaces, with implications for their evolution. Ion precipitation produces neutral atom releases into the exosphere through ion sputtering, with velocity distribution extending well above the particle escape limits. We refer to this component of the surface ejecta as sputtered high-energy atoms (SHEA). The use of ion sputtering emission for studying the interaction of exposed bodies (EB) with ion environments is described here. Remote sensing in SHEA in the vicinity of EB can provide mapping of the bodies exposed to ion sputtering action with temporal and mass resolution. This paper speculates on the possibility of performing remote sensing of exposed bodies using SHEA The evolution of the surfaces of bodies unprotected by either strong magnetic fields or thick atmospheres in the Solar System is caused by various processes, induced by photons, energetic ions and micrometeoroids. Among these processes, the continuous bombardment of the solar wind or energetic magnetospheric ions onto the bodies may significantly affect their surfaces, with implications for their evolution. Ion precipitation produces neutral atom releases into the exosphere through ion sputtering, with velocity distribution extending well above the particle escape limits. We refer to this component of the surface ejecta as sputtered high-energy atoms (SHEA). The use of ion sputtering emission for studying the interaction of exposed bodies (EB) with ion environments is described here. Remote sensing in SHEA in the vicinity of EB can provide mapping of the bodies exposed to ion sputtering action with temporal and mass resolution. This paper speculates on the possibility of performing remote sensing of exposed bodies using SHEA and suggests the need for quantitative results from laboratory simulations and molecular physic modeling in order to understand SHEA data from planetary missions. In the Appendix, referenced computer simulations using existing sputtering data are reviewed.

Milillo, A.↗
DOE OSTI2022

Nanotwin assisted reversible formation of low angle grain boundary upon reciprocating shear load

Severe plastic deformation of metals is known to lead to superior properties that cannot be achieved by any traditional metallurgic process. Origin of the superior properties is perceived to be closely associated with grain refinement, a fundamental process during the severe plastic deformation, which is essentially the formation of new grain boundaries. However, the atomistic mechanism of grain boundary formation remains largely obscure. Here, by using in-situ transmission electron microscopy and molecular dynamic simulation, we reveal, for the first time at atomic level, the shear-induced low-angle grain boundary (LAGB) formation processes in Au nanocrystal. In this work, we discover the LAGB formation is accomplished through inward propagation of nanotwins accompanied by dislocations gliding on the twin boundaries, a nanotwin-mediated dislocation slip mechanism, which shows reversible characteristic under reciprocating shear load and is affected by the nanocrystal microstructure and orientation. Our result unveils unprecedented atomistic insights on shear driven grain refinement towards nanostructure of superior properties.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Literature Review of Documented Persistent Secondary Uranium Sources at DOE LM Sites

The U.S. Department of Energy Office of Legacy Management (LM) has the responsibility to protect human health and the environment at 101 legacy uranium sites across the nation by implementing long-term surveillance and maintenance requirements. Included in these responsibilities is to provide for the safe and environmentally sound disposal, long-term stabilization, and control of uranium mill tailings in a manner that minimizes or eliminates radiation health hazards to the public at 21 Uranium Mill Tailings Radiation Control Act (UMTRCA) Title I sites; 6 UMTRCA Title II sites; and 9 Comprehensive Environmental Response, Compensation, and Liability Act/Resource Conservation and Recovery Act sites. These sites are former uranium mills (processing sites), or sites with wastes from processing sites encapsulated in engineered disposal cells (disposal sites), or sites where components of atomic weapons were manufactured. During site characterization, groundwater contamination was often discovered and evaluated or modeled for future movement with the inclusion of uranium sorption in the groundwater plume. Much of this original work did identify uranium processing wastes as the original contaminant source. However, more recent work has identified the existence and influence of persistent secondary uranium sources that may prevent uranium in groundwater from attenuating as quickly as initial evaluations or modeling indicated. By understanding these processes, better decisions can be made to choose the appropriate remediation and closure strategies, identify long-term surveillance and maintenance activities, and more accurately estimate life-cycle costs. The purpose of this report is to summarize the literature available on documented persistence secondary uranium sources at LM sites as part of the Applied Studies and Technology Persistent Secondary Contaminant Sources Project.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2017

Helium interactions with alumina formed by atomic layer deposition show potential for mitigating problems with excess helium in spent nuclear fuel

Helium gas accumulation from alpha decay during extended storage of spent fuel has potential to compromise the structural integrity the fuel. We report results obtained with surrogate nickel particles which suggest that alumina formed by atomic layer deposition can serve as a low volume-fraction, uniformly-distributed phase for retention of helium generated in fuel particles such as uranium oxide. Thin alumina layers may also form transport paths for helium in the fuel rod, which would otherwise be impermeable. Micron-scale nickel particles, representative of uranium oxide particles in their low helium solubility and compatibility with the alumina synthesis process, were homogeneously coated with alumina approximately 3–20 nm by particle atomic layer deposition (ALD) using a fluidized bed reactor. Particles were then loaded with helium at 800 °C in a tube furnace. Subsequent helium spectroscopy measurements showed that the alumina phase, or more likely a related nickel/alumina interface structure, retains helium at a density of at least 10 17 atoms/cm 3 . High resolution transmission electron microscopy revealed that the thermal treatment increased the alumina thickness and generated additional porosity. Results from Monte Carlo simulations on amorphous alumina predict the helium retention concentration at room temperature could reach 10 21 atoms/cm 3 at 400 MPa, a pressure predicted by others to be developed in uranium oxide without an alumina secondary phase. This concentration is sufficient to eliminate bubble formation in the nuclear fuel for long-term storage scenarios, for example. Finally, measurements by others of the diffusion coefficient in polycrystalline alumina indicate values several orders of magnitude higher than in uranium oxide, which then can also allow for helium transport out of the spent fuel.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗