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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

RAPID UNSEPARATED RARE EARTH ELEMENT ANALYSES BY ISOTOPE DILUTION MULTICOLLECTOR INDUCTIVELY COUPLED MASS SPECTROMETRY (ID-MC-ICP-MS)

We present a method for analyzing rare earth elements (REEs) by isotope dilution without separation of individual elements. Utilizing a Nu Plasma 2 multicollector inductively coupled plasma mass spectrometer (MC-ICP-MS) equipped with an Aridus II desolvation nebulizer, sample introduction tuning parameters (torch position, gas flows) were investigated and used to minimize oxide formation (e.g., NdO/Nd <0.05%) and remove the need to analyze the REEs as separated “cuts.” Ratios for spike/sample isotopes in mixed synthetic standards containing varying amounts of Ce, Nd, Sm, Eu, Gd, Dy, Er, and Yb were measured accurately within 1% of IUPAC values. La and Lu in the standards were more than 2% off from expected values due to more demanding interference corrections. A USGS BCR-2 rock standard was also processed with flux fusion, iron coprecipitation and a single column pass bulk separation followed by analysis. The concentrations for Ce, Nd, Sm, Eu, Dy, Er, and Yb fell within 2% of consensus values. A United States Geological Survey (USGS) BIR-1A rock standard was also processed in triplicate by hydrofluoric and nitric acid digestion, yielding rare earth concentrations within 3% of consensus values with 0.3% relative standard deviation (n=3). This demonstrates the ability to produce high quality REE patterns of comparable quality to traditional methods involving labor and time intensive REE separation, with sample preparation and analytical times that are comparable to analyses against isotope dilution by single-collector ICP-MS.

Shen, Steve D.↗
DOE OSTI2022

The influence of cooling rate on condensation of iron, aluminum, and uranium oxide nanoparticles

Fundamental observations of particle size distributions are needed to develop models that predict the fate and transport of radioactive materials in the atmosphere following a nuclear incident. The extent of material transport is influenced by the time scales of particle formation processes (e.g., condensation, coagulation). In this study, we investigated the influence of cooling time scales on size distributions of uranium, aluminum, and iron oxide particles that are synthesized separately under identical run conditions inside the controlled environment of an argon plasma flow reactor. Two distinct temperature distributions are imposed along the flow reactor by varying the argon flow rate downstream of the plasma torch. The vaporized reactants of uranium, aluminum, and iron are cooled from about 5000K to 1000K before they are collected on silicon wafers for ex situ scanning electron microscope analysis. The microscope images show that the sizes of the largest aluminum and iron oxide particles heavily depend on the cooling time scales, whereas significant size variation with cooling rate is not observed for uranium oxide particles. In addition, the size distribution of aluminum oxide particles exhibits the broadest range among all three metal oxides studied. We performed simulations of particle size distributions using a kinetic model that couples gas phase oxidation chemistry with particle formation processes, including nucleation, condensation, and coagulation. The model results demonstrate the strong sensitivity of particle size distribution to different cooling histories (i.e., temperature vs residence time) along the flow reactor. In conclusion, the kinetic model also helps identify directions for future research to improve the predictions.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Key Elements of Auroral Substorm Development and their Relationship to Recent Observations of Detached Sub-Auroral Phenomena Including STEVE-like Emissions

Since Akasofu introduced the concept of the substorm in 1964, numerous refinements have been added to the phenomenological model of how auroral substorms develop. Here, we review several of the most important of these including; polar cap patches, intensifications of the Polar Activated Band (PAB) at the poleward edge of the bulge, the development of new arcs poleward, the generation of auroral streamers, the evolution of streamers into auroral torches and omega bands, the association of streamers with particle injection and BBF activity in the tail, and wedgelet-like magnetic perturbations on the ground. We also review the concept of “contact breakups” which are breakups that appear to be triggered by the arrival of streamer-like forms in the equatorward regions of the oval. Finally, we remind the community that the addition of detached sub-auroral emissions was made to the phenomenological picture of substorm develop in the late 1960s along with the concept of auroral streamers. Newer observations of detached sub-auroral (STEVE-like emissions) from the Viking/UVI and POLAR/VIS imagers are presented which confirm that they are east-west aligned bands of emission that separate away from the equatorward edge of the auroral oval in response to intensifications of the poleward edge of the bulge and subsequent streamer production. We propose a new model for the formation of detached sub-auroral (STEVE-like) emissions in which a non-linear growth of a SAPS-driven instability (e.g. like the shear-flow/ballooning instability) at the plasmapause results in the disruption of the boundary separating hot plasma sheet particle from the cold plasmaspheric plasma. It is proposed that the resulting intermixing of plasma populations leads to both the observed STEVE-like emissions and also provides a source of cold plasma on open drift paths that can feed the long-lived drainage plumes that have recently been discovered.

58 GEOSCIENCES↗
DOE OSTI2021

Characterization of fusion welded ceramics in the SiC-ZrB 2 -ZrC system

Various SiC-ZrB 2 -ZrC ceramics were joined by fusion welding to determine the maximum silicon carbide content that could be joined. Commercial powders were hot pressed, machined, and preheated to 1450 °C before joining with a tungsten inert gas welding torch at 160–200 A. Resulting welds were cross-sectioned and analyzed to determine which compositions were weldable and to characterize microstructural evolution in welded samples. As compositions approached the ternary eutectic, the welds had smaller SiC grains and exhibited better weldability. Penetration depth of welds was controlled by a combination of current input and welding speed. Here, the ternary eutectic in the system was found at 36.9 ± 1.3 vol% SiC, 42.7 ± 1.5 vol% ZrB 2 , and 20.4 ± 1.9 vol% ZrC and its melting temperature was 2330 ± 23 °C. A ternary phase diagram for the SiC-ZrB 2 -ZrC was constructed and proposed via microstructural analysis of arc melted pellets on binary joins between each binary eutectic and the ternary eutectic in the system.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Parametric study of residual stress formation in Wire and Arc Additive Manufacturing

Here, a finite element model was created to simulate the Wire Arc Additive Manufacturing (WAAM) thermal and mechanical processes of Inconel 718 on a A36 steel substrate, as well as the effects of process parameters on Residual Stress (RS). The model was verified using temperature data obtained from three thermocouples attached to the upper surface of the build substrate and micro-strain measurements obtained from Neutron Diffraction (ND) measurement. The model was then used to study the effects of changing the torch travel speed and interlayer dwell time. The study found that travel speed has little effect on RS when maintaining the same heat input rate. As well, the interlayer dwell time has a strong effect on RS. Reducing the dwell time causes the stress profiles to become relatively uniform and a high-stress region extends deeper along the build direction. This study provides important insight into mechanical stresses inside large walls made by the WAAM method.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Silicon Dioxide Deposited Using Atmospheric Pressure Plasma Chemical Vapor Deposition for Improved Adhesion and Water Intrusion Resistance for Lightweight Manufacturing

This work aims to demonstrate the barrier coating, and adhesion promoting properties of silica-based coatings deposited using an atmospheric pressure plasma torch (APPT). This is achieved by applying an industrial grade adhesive to silica thin films deposited, on the surfaces to be joined, using atmospheric pressure plasma chemical vapor deposition (APP-CVD), to make single joint lap shear samples of different metal combinations commonly found in lightweight manufacturing such as aluminum and magnesium as well as steel. To deposit these thin films, two separate silicon based organic precursors, hexamethyldisiloxane (HMDSO), and tetraehylorthosilicate (TEOS), are used. Here, samples are bonded using DuPont Betamate 1486 adhesive, and the lap shear results for these films are compared to the lap shear results of a chemically cleaned control using the same adhesive. The APPT uses a microwave power supply and gas mixtures of N 2 and Ar. The adhesion of the films are tested using lap shear, and elevated temperature water soaks are conducted on the joints as well to simulate environmental exposure. Lap shear results from samples with silica thin films max shear stress are 25%-115% increase compared to control samples depending on material. After exposure to water soak the max shear strength of the joints decreased by less than 15%, which demonstrates the films capabilities as a water barrier. Film morphology is examined using Scanning Electron Microscopy (SEM), and the film’s composition and approximate thickness are obtained using Rutherford Backscattering Spectroscopy (RBS).

36 MATERIALS SCIENCE↗
DOE OSTI2024

Reduction kinetics of hematite powder using argon/hydrogen plasma with prospects for near net shaping of sustainable iron

Direct reduction of iron ore using hydrogen plasma is being explored as a potential solution to decarbonize the iron and steel sector. The current state-of-the-art demonstrated reduction of hematite pellets via hydrogen plasma using Ar + 10% H 2 but had slow reduction kinetics, requiring 30 minutes of plasma exposure for complete reduction. Here we show that using hematite in a powder form, easily obtainable from beneficiated ore, results in 10× faster kinetics using plasma generated from Ar + 2% H 2 shielding gas compared to the current state-of-the art. Additionally, the increased kinetics using powders and a dilute hydrogen concentration can enable the use of advanced manufacturing techniques like blown powder directed energy deposition using a plasma tungsten arc welding torch to manufacture near net shape components directly from the ore concentrates. This ore to part approach will also reduce the emissions associated with downstream processes like rolling, forging, and machining, thereby further aiding in the sectorial decarbonization efforts.

36 MATERIALS SCIENCE↗
DOE OSTI2025

MS25: Materials Science-Focused Benchmark Data Set for Machine Learning Interatomic Potentials

Here, we present MS25, a benchmark data set for evaluating machine learning interatomic potentials (MLIPs) across diverse materials-relevant systems including MgO surfaces, liquid water, zeolites, a catalytic Pt surface reaction, high-entropy alloys (HEAs), and disordered Zr-oxides. Five MLIP architectures (MACE, NequIP, Allegro, MTP, and Torch-ANI) are trained and tested, focusing not only on traditional metrics (energies, forces, and stresses) but also explicitly validating derived physical observables such as lattice constants, volumes, and reaction barriers. We find that most models reach comparable accuracy on standard error metrics across the simple systems, although equivariant MLIPs offer 1.5–2× improvements over nonequivariant MLIPs in energy and force error for structurally complex or compositionally disordered environments such as HEAs and Zr–O systems. Our analysis highlights that low errors in energy and force predictions do not guarantee reliable observables, emphasizing the necessity of explicit validation. We demonstrate limitations in cross-framework transferability, as models trained on one zeolite framework (CHA) fail to reliably generalize to predictions of structurally distinct frameworks (e.g., MFI). Size-extensive tests show some dependence on system size for MgO, resulting from forced periodicity. The HEA and Zr–O data sets are identified as challenging tests for future benchmarks and MLIP model architecture developments as they show significant differentiation in error between MLIP architectures and are still relatively difficult at 1000 training images. Moving forward, we recommend that benchmarking efforts shift their focus from marginal accuracy improvements in energy and force errors toward identifying and understanding model failure modes, rigorously assessing transferability, and evaluating how their errors affect observable predictions. For researchers looking to choose an MLIP architecture, we suggest selecting equivariant MLIP architectures if the complexity of the system is a challenge. For simple materials problems, auxiliary features such as integration with molecular dynamics engines, trade-offs between computational data set generation cost vs MLIP inference speed, and framework integration may play a more important decision factor than small differences in error metrics that are unlikely to matter for production-level research.

chemical structure↗
DOE OSTI2024

Dependence of Uranium Oxide Polymorphism on Plasma Synthesis Conditions

Here, we synthesized uranium oxide nanoparticles using a plasma flow reactor (PFR) and studied the effects of three different experimental parameters on the resulting morphologies and speciation of the particles: (1) collection duration, (2) collection substrate temperature, and (3) radial collection position due to radial temperature gradients in the PFR. We also induced three distinct temperature histories along the axis of the plasma flow reactor by varying the gas flow rates downstream of the plasma torch. Transmission electron microscopy (TEM) analyses of collected particles showed two phases of uranium oxides (fcc-UO 2 and α-UO 3 ). The chemical compositions of the resulting uranium oxide particles were not altered by the three parameters investigated in this work but varied based on the temperature history induced. Preheating of the collection substrate led to deposition of fewer particles, which is attributed to a reduction in thermophoretic force caused by the reduced temperature gradient for preheated substrates. The relative amounts of UO 2 to UO 3 and particle size varied depending on the cooling history employed during synthesis.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2023

The influence of temperature history and flow mixing on the vapor-phase speciation of uranium oxide nanoparticles

The transport of radioactive material following a nuclear event depends heavily on fallout characteristics (e.g., composition, shape, and size), which in turn are controlled by the conditions under which the fallout forms. To this end, we use a novel plasma flow reactor (PFR) to explore how conditions including temperature history and gas mixing influence the chemical speciation and physical characteristics of uranium oxide nanoparticles. The PFR consists of a glass tube attached to an inductively coupled plasma (ICP) torch via an adaptor piece (ring flow injector) located downstream of the plasma-generating RF coil. We increase the gas flow rates from normal ICP operating conditions to higher values both upstream at the RF coil and downstream at the ring flow injector to create four distinct temperature profiles and two distinct gas flow mixing conditions (normal and higher Ar atomic ratios). Ex situ transmission electron microscopy (TEM) analysis is used to determine the crystal structure, morphology, and size distribution of the synthesized particles as a function of temperature and mixing. The particles display a striking dependence on these conditions in terms of the resulting speciation of uranium oxide: lower temperature (higher upstream) and slower cooling (normal downstream with normal Ar atomic ratio mixing) favor the formation of α-UO 3 particles, while faster cooling (higher downstream with higher Ar atomic ratio mixing) and higher temperature (normal upstream) favor the formation of UO 2 particles. The extent of gas mixing dictates particle aggregation: better mixing encourages the particles to aggregate more extensively. Here these results demonstrate the sensitivity of uranium to initial local conditions and can be used to improve our understanding of the kinetics that drive uranium speciation and ultimately inform fallout transport models.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2020

Enabling robust offline active learning for machine learning potentials using simple physics-based priors

Abstract Machine learning surrogate models for quantum mechanical simulations have enabled the field to efficiently and accurately study material and molecular systems. Developed models typically rely on a substantial amount of data to make reliable predictions of the potential energy landscape or careful active learning (AL) and uncertainty estimates. When starting with small datasets, convergence of AL approaches is a major outstanding challenge which has limited most demonstrations to online AL. In this work we demonstrate a Δ-machine learning (ML) approach that enables stable convergence in offline AL strategies by avoiding unphysical configurations with initial datasets as little as a single data point. We demonstrate our framework’s capabilities on a structural relaxation, transition state calculation, and molecular dynamics simulation, with the number of first principle calculations being cut down anywhere from 70%–90%. The approach is incorporated and developed alongside AMP torch , an open-source ML potential package, along with interactive Google Colab notebook examples.

Shuaibi, Muhammed↗
DOE OSTI2023

On the confluence of ultrafast high-temperature sintering and flash sintering phenomena

Ultrafast high-temperature sintering (UHS) and flash sintering are novel methods for rapid sintering of ceramics, often completed in just a few seconds. Here, we show that both also share two additional features: an abrupt rise in electrical conductivity, which is electronic, and electroluminescence. More fundamentally, both are related to phonon physics where MD calculations have shown that proliferation of phonons at the edge of the Brillouin zone can induce Frenkel pairs without the application of electrical fields. Here, we show that, indeed, heating without the application of electric field, can also induce flash: Rapid heating processes of thin films of an oxide-salt deposited on silk fibers, with a propane torch, are shown to induce electronic conductivity, electroluminescence, and rapid sintering of the oxide. Further, the discussion in this article harkens back to two inventions, more than a century ago, which can now be related to flash and UHS: (i) the Nernst glow lamp circa 1900, made from zirconia, and (ii) the Welsbach mantle, constituted from ceria doped thorium oxide, in the late nineteenth century. Thus, the confluence between high heating rate and electric field induced flash phenomena links the past to the new. The emerging question is how injection of phonons that has been shown to create Frenkels can further induce high electronic conductivity and electroluminescence in oxides. Both electronic conductivity and luminescence are likely related to the generation of electron–hole pairs.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Case study of UAS ignition of prescribed fire in a mixedwood on the William B. Bankhead National Forest, Alabama

Abstract Background For at least four decades, practitioners have recognized advantages of aerial versus ground ignition for maximizing the effectiveness of prescribed fires. For example, larger areas can be ignited in less time, or ignition energy may be variously targeted over an area in accordance with the uneven distribution of fuels. The maturation of wireless communication, geopositioning systems, and unmanned aerial systems (UAS) has enhanced those advantages, and UAS approaches also provide further advantages relative to helicopter ignitions, such as reduced risk to human safety, lower operating costs, and higher operational flexibility. In a long running study at the Bankhead National Forest in northcentral Alabama, prescribed fire has been used for nearly 20 years. Most of the burns have been hand-ignited via drip torches, while some have been aerially ignited via helicopter. In March 2022, for the first time, a UAS was used to ignite prescribed fires across a landscape that included a long-term research stand. This field note relates comparisons of both fire behavior and fuel consumption metrics for the UAS-ignited burn versus previous burns on the same stand, and versus burns of other research stands in the same year. Results The UAS-ignited prescribed fire experienced burn effects similar to those from ground-ignited prescribed fires on the same stand in previous years, as well as those from ground-ignited prescribed fires on other stands in the same year. Conclusion This post hoc analysis suggests that UAS ignition approaches may be sufficient for achieving prescribed burn goals, thereby enabling practitioners to realize the advantages offered by that ignition mode.

Environmental Sciences & Ecology↗
DOE OSTI2020

Diffuser Braze Development

At the request of SRTE, through the PDRD project, SRNL is developing a vacuum brazing process to facilitate the fabrication of hydrogen purification systems. In particular, this effort is directed at tube-style hydrogen diffusers. The diffusers are comprised of numerous palladium-silver tubes that are brazed to a nickel fitting, which is subsequently welded to a stainless steel tube, fitting, or tube sheet. Historically, torch brazing has been used as a heat source; for this work vacuum furnace brazing was suggested to improve the uniformity of the process. This report describes the braze process development for braze selection and simple nickel fitting to tube brazing. Five braze alloys were selected and sessile drop testing was conducted over a range of temperatures from 25 to 75° C over the liquidus temperature. Samples were characterized for wetting angle, erosion, and brazability. The cup-to-tube braze joints were inspected using digital radiography, ultrasonic testing, and metallographic examination. Two of the five alloys exhibited excellent fabrication properties and are considered for further development.

36 MATERIALS SCIENCE↗
DOE OSTI2021

End-to-End Differentiable Modeling and Management of the Environment

Focal Area: (2) Data acquisition and assimilation enabled by machine learning, AI, and advanced methods including experimental/network design/optimization. We emphasize the importance of leveraging optimization techniques from AI/machine learning (ML) to solve challenging problems in Earth system modeling. Science Challenge: Automatic differentiation has had a transformative effect on ML by allowing the calculation of gradients of arbitrary functions in an incredibly large class of models. We can potentially realize similar improvements in parameter estimation and control for Earth system models (ESMs) by reimplementing them in computational frameworks from ML. Practitioners working with large (>10 7 parameters) models in ML and AI can obtain good predictive performance in a range of spatiotemporal tasks by making use of optimization via stochastic gradient descent and incorporating prior knowledge at multiple levels. We propose writing ESMs in open-source computational frameworks such as Torch, Tensorflow, and JAX to greatly expand the scope of environmental forecasting and management challenges, which can be addressed by leveraging automatic differentiation and gradient descent-like algorithms. We do not call for a wholesale replacement of physical models with data-driven surrogates, but rather advocate for interleaving physical and empirical equations in a manner that is most faithful to the extent of our scientific knowledge and observational data. Central to this topic is the merging of differentiable physical simulations with differentiable optimization layers, which are now both beginning to come to the forefront.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Thermal Spray toolpath development for a capped cylinder (“cake pan”) substrate

A near net shape coating is desired to be applied to the outer surface of a capped cylinder (“cake pan”) type substrate using thermal spray technology. A capped cylinder geometry is more complex than simple coupon-level substrate substrates (e.g., flat panels, cylinders) and thus requires a more complex toolpath to deposit a uniform coating. This report documents a practical theoretical approach to calculating relative torch-to-substrate speeds for coating the cylindrical, corner, and cap region of a rotating capped cylinder based on fundamental thermal spray toolpath principles. A preliminary experimental test deposited a thermal spray coating onto a mock substrate using toolpath speeds calculated by the theoretical approach proposed. The mock substrate was metallographically inspected to assess coating uniformity across the cylindrical, corner, and cap region. Inspection of the mock substrate revealed qualitatively uniform coating microstructure and thickness where theoretically predicted, demonstrating the viability of the proposed toolpath method and associated calculations. Pathways forward to optimizing coating uniformity at the cap center are proposed as near term suggested future work.

42 ENGINEERING↗
DOE OSTI2021

Management of the Three Mile Island, Unit 2, Accident Corium and Severely Damaged Fuel Debris

The Three Mile Island, Unit Two (TMI-2) pressurized water reactor core melted down in 1979 due to an untimely combination of maintenance problems that led to a loss of feedwater, followed by a series of operational misunderstandings and errors. The melted core recovery process required development of a wide array of tools. After approximately three years of water management and other cleanup actions, the first views of the core revealed a much higher degree of damage than previously expected. Approximately 62 metric tons of the core had melted, leaving only 42 of the 177 fuel assemblies standing with a majority of rods intact. The core to be recovered was composed of loose debris and a solidified mass of formerly molten fuel. Robotic tools that had been designed for the task were of limited effectiveness due to the range of material types and phases. Over a period of several years, the central melt was broken up, primarily by use of a core-boring drill originally designed to acquire samples through the depth of the debris field. The broken pieces were loaded into specially designed debris canisters by use of long-handled pick-and-place tools and suctioned into baffled knockout canisters using an airlift vacuum system. A remotely operable underwater plasma arc torch was developed for removal of the lower core support structure to be able to retrieve the fuel pieces and secondary melt that had accumulated on the bottom reactor vessel head. Canister design played a central role in defining the initial retrieval process and later affected transportation, interim wet and its current interim dry storage. Due to concerns about the potential for radiolysis of residual water in the debris and other canister material, the canisters were fitted with hydrogen recombiner catalyst units to prevent a buildup of flammable gas and potential pressurization. To confirm the effectiveness of the recombiners during shipping, eight dewatered canisters were kept sealed for up to 205 days with periodic sampling of the headspace gas. The highest hydrogen value (9 vol%) was observed in a canister held for 147 days while the longest stored canister resulted in a 5% hydrogen concentration. The oxygen concentration never exceeded 0.5 %, and the primary backfill was >80% argon, meaning there was no flammability risk. Radiolytic hydrogen was also observed in wet pool storage, where the vented canisters discharged a portion of the water backfill as a result of gas production. The 344 canisters (268 fuel debris, 62 filter, and 12 knockout type) were dewatered, loaded in groups of seven into a double barrier shipping cask, and transported to the U.S. Department of Energy site in Idaho for 10 years of pool storage.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2026

Time-, space-, and molecule-resolved multiple plasma reactive species in complex settings using an innovative approach of cavity ringdown spectroscopy (Project Final Report)

The primary research goal of this 2-year project is to demonstrate the feasibility of an innovative approach to measure reactive plasma species in the most challenging settings: right on the surface of water and under water. We propose to use the Brewster angle-cavity ringdown spextroscopy (BA-CRDS). Research objectives include: 1) Measurements of OH and NO in the plasma gas-phase zone (Z1) using different types of LTP sources including continuous and pulsed plasma jets, sheets, torches, etc. 2) Measurements of OH and NO in the multiphase reaction zones, right on the surface of water (Z2) and under water (Z3). 3) RS formation and loss mechanisms and reaction dynamics in the three zones. 4) Generalization of the proposed system to be configurable with other selected innovative techniques for other LTP parameters; invitation of selected PIs to form a strong collaborative team to pursue the follow-up effort (Category-2).

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗