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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 775 records · Page 43
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Analytical method for nitroaromatic explosives in radiologically contaminated soil for ISO/IEC 17025 accreditation

Here, unique hazards are presented in the analysis of radiologically contaminated samples. Strenuous safety and security precautions must be in place to protect the analyst, laboratory, and instrumentation used to perform analyses. A validated method has been optimized for the analysis of select nitroaromatic explosives and degradative products using gas chromatography/mass spectrometry via sonication extraction of radiologically contaminated soils, for samples requiring ISO/IEC 17025 laboratory conformance. Target analytes included 2-nitrotoluene, 4-nitrotoluene, 2,6-dinitrotoluene, and 2,4,6-trinitrotoluene, as well as the degradative product 4-amino-2,6-dinitrotoluene. Analytes were extracted from soil in methylene chloride by sonication. Administrative and engineering controls, as well as instrument automation and quality control measures, were utilized to minimize potential human exposure to radiation at all times and at all stages of analysis, from receiving through disposition. Though thermal instability increased uncertainties of these selected compounds, a mean lower quantitative limit of 2.37 µg/mL and mean accuracy of 2.3% relative error and 3.1% relative standard deviation were achieved. Quadratic regression was found to be optimal for calibration of all analytes, with compounds of lower hydrophobicity displaying greater parabolic curve. Blind proficiency testing (PT) of spiked soil samples demonstrated a mean relative error of 9.8%. Matrix spiked analyses of PT samples demonstrated that 99% recovery of target analytes was achieved. To the knowledge of the authors, this represents the first safe, accurate, and reproducible quantitative method for nitroaromatic explosives in soil for specific use on radiologically contaminated samples within the constraints of a nuclear analytical lab.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Novel spin-orbit coupling driven emergent states in iridate-based heterostructures

Recent years have seen many examples of how the strong spin-orbit coupling present in iridates can stabilize new emergent states that are difficult or impossible to realize in more conventional materials. In this review we outline a representative set of studies detailing how heterostructures based on Ruddlesden-Popper (RP) iridates can be used to access yet more novel physics. Beginning with a short synopsis of iridate thin film growth, the effects of the heterostructure morphology on the RP iridates including Sr 2 IrO 4 and SrIrO 3 are discussed. Example studies explore the effects of epitaxial strain, laser-excitation to access transient states, topological semimetallicity in SrIrO 3 , 2D magnetism in artificial RP iridates, and interfacial magnetic coupling between iridate and neighboring layers. Taken together, these works show the fantastic potential for controlled engineering of novel quantum phenomena in iridate heterostructures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Lessons Learned—Fluoride Exposure and Response

Laboratory research can expose workers to a wide variety of chemical hazards. Researchers must not only take personal responsibility for their safety but also inevitably rely on coworkers to also work safely. The foundations for protocols, requirements, and behaviors come from our history and lessons learned from others. For that reason, here, a recent incident is examined in which a researcher suffered hydrofluoric acid (HF) burns while working with an inorganic digestion mixture of aqueous HF (8%) and nitric acid (HNO 3 , 58%). HF education is critical for workers because delays in treatment, improper treatment, and delay of symptoms are all factors in unfavorable outcomes in case reports. Furthermore, while the potential severity of the incident was elevated due to bypassed engineered controls and lack of proper personal protective equipment, only minor injuries were sustained. We discuss the results of a causal analysis of the incident that revealed areas of improvement in protocols, personal protective equipment, and emergency response that could help prevent similar accidents from occurring. We also present simple improvements that anyone can implement to reduce the potential consequences of an accident, based upon our lessons learned.

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

Localized spin-orbit polaron in magnetic Weyl semimetal Co 3 Sn 2 S 2

The kagome lattice Co 3 Sn 2 S 2 exhibits the quintessential topological phenomena of a magnetic Weyl semimetal such as the chiral anomaly and Fermi-arc surface states. Probing its magnetic properties is crucial for understanding this correlated topological state. Here, using spin-polarized scanning tunneling microscopy/spectroscopy (STM/S) and non-contact atomic force microscopy (nc-AFM) combined with first-principle calculations, we report the discovery of localized spin-orbit polarons (SOPs) with three-fold rotation symmetry nucleated around single S-vacancies in Co 3 Sn 2 S 2. The SOPs carry a magnetic moment and a large diamagnetic orbital magnetization of a possible topological origin associated relating to the diamagnetic circulating current around the S-vacancy. Appreciable magneto-elastic coupling of the SOP is detected by nc-AFM and STM. Our findings suggest that the SOPs can enhance magnetism and more robust time-reversal-symmetry-breaking topological phenomena. Controlled engineering of the SOPs may pave the way toward practical applications in functional quantum devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Strain effects on oxygen vacancy energetics in KTaO 3

Due to lattice mismatch between epitaxial films and substrates, in-plane strain fields are produced in the thin films, with accompanying structural distortions, and ion implantation can be used to controllably engineer the strain throughout the film. Because of the strain profile, local defect energetics are changed. In this study, the effects of in-plane strain fields on the formation and migration of oxygen vacancies in KTaO 3 are investigated using first-principles calculations. In particular, the doubly positive charged oxygen vacancy (V 2+ O) is studied, which is considered to be the main charge state of the oxygen vacancy in KTaO 3 . We find that the formation energies for oxygen vacancies are sensitive to in-plane strain and oxygen position. The local atomic configuration is identified, and strong relaxation of local defect structure is mainly responsible for the formation characteristics of these oxygen vacancies. Based on the computational results, formation-dependent site preferences for oxygen vacancies are expected to occur under epitaxial strain, which can result in orders of magnitude differences in equilibrium vacancy concentrations on different oxygen sites. In addition, all possible migration pathways, including intra- and inter-plane diffusions, are considered. In contrast to the strain-enhanced intra-plane diffusion, the diffusion in the direction normal to the strained plane is impeded under the epitaxial strain field. Lastly, these anisotropic diffusion processes can further enhance site preferences.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Soft nanoparticles: nano ionic networks of associated ionic polymers

Directing the formation of nanostructures that serve as building blocks of membranes presents an immense step towards engineering controlled polymeric ion transport systems. Here, using the exquisite atomic detail captured by molecular dynamics simulations, we follow the assembly of a co-polymer that consists of polystyrene sulfonate tethered symmetrically to hydrophobic blocks, realizing a new type of long lived solvent-responsive soft nanoparticle.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Brittle fracture to recoverable plasticity: polytypism-dependent nanomechanics in todorokite-like nanobelts

Atomic force microscopy (AFM) based nanomechanics experiments involving polytypic todorokite-like manganese dioxide nanobelts reveal varied nanomechanical performance regimes such as brittle fracture, near-brittle fracture, and plastic recovery within the same material system. These nanobelts are synthesized through a layer-to-tunnel material transformation pathway and contain one-dimensional tunnels, which run along their longitudinal axis and are enveloped by m × 3 MnO 6 octahedral units along their walls. Depending on the extent of material transformation towards a tunneled microstructure, the nanobelts exhibit stacking disorders or polytypism where the value for m ranges from 3 to up to ~20 within different cross-sectional regions of the same nanobelt. The observation of multiple nanomechanical performance regimes within a single material system is attributed to a combination of two factors: (a) the extent of stacking disorder or polytypism within the nanobelts, and (b) the loading (or strain) rate of the AFM nanomechanics experiment. Controllable engineering of recoverable plasticity is a particularly beneficial attribute for advancing the mechanical stability of these ceramic materials, which hold promise for insertion in multiple next-generation technological applications that range from electrical energy storage solutions to catalysis.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2025

Surface deformation coupled with self-organized pattern on a liquid anode of 1 atm DC glow discharge

Intricate, self-organized plasma structures observed above the surface of a liquid anode of atmospheric DC glow discharge were found to give rise to coherent, organized surface deformation and mechanical wave formation at the plasma–liquid interface. This new phenomenon indicates that the liquid is closely coupled to the plasma by the anode sheath’s electrohydrodynamic (EHD) force. A scientific question then arises: Do surface perturbations, coupled with the nonuniform surface charge distribution, enhance the electric field and induce self-organization? Using the reflective background-oriented schlieren technique, the liquid surface profile under the plasma pattern was measured for the first time. The results show that surface distortions are driven by the repulsive Coulomb force of nonuniform net-negative surface charge acted by the anode sheath field. The impacts of various operating parameters on the patterns and surface waves were examined, revealing the significance of gas heating and liquid charge relaxation time in the pattern formation mechanism. Time-resolved dynamics of a pulsed DC discharge indicated that the surface deformation only appeared after the establishment of plasma patterns. Statistically, the surface wave under the plasma has high wave numbers (8000–16000 m −1 ) and small amplitudes ($<$ 10 µm), generally found in the capillary wave regime. Yet the motion of surface deformations is in tandem with the plasma pattern and exhibits a nondispersive nature of constant phase velocity (0.1–0.4 m s −1 ), suggesting the dominant role of EHD force over the surface tension in the observed surface wave. These results indicate that the deformed liquid surface is driven by the EHD force of the plasma sheath. Although they share a similar geometry, the deformation and wave dynamics of the liquid surface do not stimulate a plasma pattern. Importantly, the complex EHD coupling in the plasma–liquid system raises awareness and new challenges for plasma control engineering, and the quantitative characteristics of the nondispersive surface wave are informative for advancing relevant theory and modeling.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Predictive turbulence-driven flux model of scrape-off layer widths across confinement regimes in tokamaks

Reliable scrape-off layer (SOL) profile decay lengths predictions are needed to design and operate future tokamaks. The present manuscript describes a new model based on turbulent transport that is able to predict SOL widths for both L-mode and H-mode plasmas. The model is based upon the sheared-spectral filament paradigm (Peret et al (WEST Team) 2022 Phys. Plasmas 29 072306), however, incorporating the effects of thermal transport in order to calculate the parallel heat fluxes. The effects of magnetic shear and ExB shear on the cross-field transport are crucial to explain the shorter SOL decay lengths found in H-mode. The model is validated against a database of thousands of DIII-D L-mode and H-mode SOL profiles. We also calculate SOL decay length predictions in terms of plasma and engineer control parameters, which are in agreement with the multi-machine empirical H-mode scaling (Eich et al (ASDEX Upgrade Team and JET EFDA Contributors) 2013 Nucl. Fusion 53 093031), however, with an additional device geometry dependence. ITER SOL width predictions by the model are 3 times higher than the empirical scaling.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Characterization of the Emissions and Crystalline Silica Content of Airborne Dust Generated from Grinding Natural and Engineered Stones

Abstract In this study, we systematically characterized the airborne dust generated from grinding engineered and natural stone products using a laboratory testing system designed and operated to collect representative respirable dust samples. Four stone samples tested included two engineered stones consisting of crystalline silica in a polyester resin matrix (formulations differed with Stones A having up to 90wt% crystalline silica and Stone B up to 50wt% crystalline silica), an engineered stone consisting of recycled glass in a cement matrix (Stone C), and a granite. Aerosol samples were collected by respirable dust samplers, total dust samplers, and a Micro-Orifice Uniform Deposit Impactor. Aerosol samples were analyzed by gravimetric analysis and x-ray diffraction to determine dust generation rates, crystalline silica generation rates, and crystalline silica content. Additionally, bulk dust settled on the floor of the testing system was analyzed for crystalline silica content. Real-time particle size distributions were measured using an Aerodynamic Particle Sizer. All stone types generated similar trimodal lognormal number-weighted particle size distributions during grinding with the most prominent mode at an aerodynamic diameter of about 2.0-2.3 μm, suggesting dust formation from grinding different stones is similar. Bulk dust from Stone C contained no crystalline silica. Bulk dust from Stone A, Stone B, and granite contained 60, 23, and 30wt% crystalline silica, respectively. In Stones A and B, the cristobalite form of crystalline silica was more plentiful than the quartz form. Only the quartz form was detected in granite. The bulk dust, respirable dust, and total dust for each stone had comparable amounts of crystalline silica, suggesting that crystalline silica content in the bulk dust could be representative of that in respirable dust generated during grinding. Granite generated more dust per unit volume of material removed than the engineered stones, which all had similar normalized dust generation rates. Stone A had the highest normalized generation rates of crystalline silica, followed by granite, Stone B, and Stone C (no crystalline silica), which likely leads to the same trend of respirable crystalline silica (RCS) exposure when working with these different stones. Manufacturing and adoption of engineered stone products with formulations such as Stone B or Stone C could potentially lower or eliminate RCS exposure risks. Combining all the effects of dust generation rate, size-dependent silica content, and respirable fraction, the highest normalized generation rate of RCS consistently occurs at 3.2-5.6 µm for all the stones containing crystalline silica. Therefore, removing particles in this size range near the generation sources should be prioritized when developing engineering control measures.

Public, Environmental & Occupational Health↗
DOE OSTI2026

Half-ice, half-fire-driven ultranarrow phase crossover in one-dimensional decorated 𝑞-state Potts ferrimagnets: An AI-co-led exploration

OpenAI’s reasoning model o3-mini-high was used to carry out an exact analytic study of one-dimensional ferrimagnetic site- and bond-decorated 𝑞-state Potts models. We demonstrate that the finite-temperature ultranarrow phase crossover (UNPC), driven by a hidden “half-ice, half-fire” state recently discovered in the 𝑞=2 case (Ising model), persists for 𝑞>2. Moreover, we identify unique features for 𝑞>2, including the dome structure in the field-temperature phase diagram, and for large 𝑞 a secondary high-temperature UNPC to the fully disordered paramagnetic state. As the UNPC quickly approaches a genuine transition by enhancing 𝐽, the interaction between the backbone spins, two distinct behaviors emerge: In the site-decorated Potts model, 𝑇 0 is independent of 𝐽 and thus remains unchanged (Type-I UNPC), and in the bond-decorated Potts model with 𝑞>2, 𝑇 0 depends on 𝐽 and quickly shifts toward a finite temperature as 𝐽 increases (Type-II UNPC). These results establish a versatile framework for engineering controlled fast state-flipping switches in low-dimensional systems. Our nine-dan artificial intelligence (AI)-contribution framework assigns AI the meritorious status of AI-co-led discovery in this work.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

High magnetic field response of superconductivity dome in quantum artificial high−⁢𝑇 𝐶 superlattices with variable geometry

It is known that cuprate artificial high-𝑇 𝐶 superlattices (AHTS) with period 𝑑, composed of quantum wells confining interface space charge in stoichiometric Mott insulator layers (𝑆), with thickness 𝐿, at the interface with overdoped normal metallic cuprate layers (𝑁) show a superconducting dome by tuning the geometric 𝐿 over 𝑑 ratio of the SNSN superlattice with the top predicted by quantum material design engineering quantum size effects. Here we report high-field magnetotransport measurements up to 41 Tesla of AHTS across the entire superconducting dome. The results show the universal upward-concave behavior of the temperature-dependent upper critical magnetic field in low-𝑇 𝐶 samples at the rising edge and drop edge of the dome, providing strong evidence consistent with two-band superconductivity in agreement with multigap theory used for quantum design of the SNSN superlattices. The measured superconducting coherence length demonstrates that atomic-scale engineering controls not only the critical temperature but also the intrinsic pair size at Fano-Feshbach resonances physics paving the way toward next-generation quantum devices and shedding light on unconventional superconductivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Nanotesla Magnetometry with the Silicon Vacancy in Silicon Carbide

Silicon carbide is a promising host material for spin-defect-based quantum sensors owing to its commercial availability and established techniques for electrical and optical microfabricated device integration. The negatively charged silicon vacancy is one of the leading spin defects studied in silicon carbide owing to its near-telecom photoemission, high spin number, and nearly temperature-independent ground-state zero-field splitting. We report the realization of nanotesla shot-noise-limited ensemble magnetometry based on optically detected magnetic resonance with the silicon vacancy in 4H silicon carbide. By coarsely optimizing the anneal parameters and minimizing power broadening, we achieve a sensitivity of 50 nT/√Hz and a theoretical shot-noise-limited sensitivity of 3.5 nT/√Hz. This is accomplished without utilizing complex photonic engineering, control protocols, or applying excitation powers greater than a watt. This work demonstrates that the silicon vacancy in silicon carbide provides a low-cost and simple approach to quantum sensing of magnetic fields.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Realization of ordered magnetic skyrmions in thin films at ambient conditions

Magnetic skyrmions have captivated physicists due to their topological nature and novel physical properties. In addition, skyrmions hold significant promise for future information technologies. A key barrier to realizing skyrmion-based devices has been stabilizing these spin structures under ambient conditions. In this paper, we demonstrate that the tunable magnetic properties of amorphous Fe/Gd mulitlayers enable the formation of skyrmion lattices which are stable over a large temperature and magnetic field parameter space, including room temperature and zero magnetic field. These skyrmions, having a hybrid nature displaying both Bloch-type and Néel-type characteristics, are stabilized by dipolar interactions rather than Dzyaloshinskii-Moriya interactions, typically considered a requirement for the generation of skyrmions. Small angle neutron scattering (SANS) was used in combination with soft x-ray microscopy to provide a unique, multiscale probe of the local and long-range order of these structures. The hexagonal lattice seen in SANS results from the hybrid skyrmion picture obtained with micromagnetic simulations. Furthermore, these results identify a pathway to engineer controllable skyrmion phases in thin film geometries which are stable at ambient conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Ewald: an extended wide-angle Laue diffractometer for the second target station of the Spallation Neutron Source

Visualizing hydrogen atoms in biological materials is one of the biggest remaining challenges in biophysical analysis. While X-ray techniques have unrivaled capacity for high-throughput structure determination, neutron diffraction is uniquely sensitive to hydrogen atom positions in crystals of biological materials and can provide a more complete picture of the atomic and electronic structures of biological macromolecules. This information can be essential in providing predictive understanding and engineering control of key biological processes, for example, in catalysis, ligand binding and light harvesting, and to guide bioengineering of enzymes and drug design. One very common and large capability gap for all neutron atomic resolution single-crystal diffractometers is the weak flux of available neutron beams, which results in limited signal-to-noise ratios giving a requirement for sample volumes of at least 0.1 mm 3 . The ability to operate on crystals an order of magnitude smaller (0.01 mm 3 ) will open up new and more complex systems to studies with neutrons which will help in our understanding of enzyme mechanisms and enable us to improve drugs against multi resistant bacteria. With this is mind, an extended wide-angle Laue diffractometer, `Ewald', has been designed, which can collect data using crystal volumes below 0.01 mm 3 .

36 MATERIALS SCIENCE↗
DOE OSTI2022

An automated approach to the alignment of compound refractive lenses

Compound refractive lenses (CRLs) are established X-ray focusing optics, and are used to focus the beam or image the sample in many beamlines at X-ray facilities. While CRLs are quite established, the stack of single lens elements affords a very small numerical aperture because of the thick lens profile, making them far more difficult to align than classical optical lenses that obey the thin-lens approximation. This means that the alignment must be very precise and is highly sensitive to changes to the incident beam, often requiring regular readjustments. Some groups circumvent the full realignment procedure by using engineering controls ( e.g. mounting optics) that sacrifice some of the beam's focusing precision, i.e. spot size, or resolution. While these choices minimize setup time, there are clear disadvantages. This work presents a new automated approach to align CRLs using a simple alignment apparatus that is easy to adapt and install at different types of X-ray experiments or facilities. This approach builds on recent CRL modeling efforts, using an approach based on the Stochastic Nelder–Mead (SNM) simplex method. This method is outlined and its efficacy is demonstrated with numerical simulation that is tested in real experiments conducted at the Advanced Photon Source to confirm its performance with a synchrotron beam. This work provides an opportunity to automate key instrumentation at X-ray facilities.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Identifying Hydrometeorological Factors Influencing Reservoir Releases Using Machine Learning Methods

Simulation of reservoir releases plays a critical role in social-economic functioning and our nation's security. How-ever, it is challenging to predict the reservoir release accurately because of many influential factors from natural environments and engineering controls such as the reservoir inflow and storage. Moreover, climate change and hydrological intensification causing the extreme precipitation and temperature make the accurate prediction of reservoir releases even more challenging. Machine learning (ML) methods have shown some successful applications in simulating reservoir releases. However, previous studies mainly used inflow and storage data as inputs and only considered their short-term influences (e.g, previous one or two days). In this work, we use long short-term memory (LSTM) networks for reservoir release prediction based on four input variables including inflow, storage, precipitation, and temperature and consider their long-term influences. We apply the LSTM model to 30 reservoirs in Upper Colorado River Basin, United States. We analyze the prediction performance using six statistical metrics. More importantly, we investigate the influence of the input hydrometeorological factors, as well as their temporal effects on reservoir release decisions. Results indicate that inflow and storage are the most influential factors but the inclusion of precipitation and temperature can further improve the prediction of release especially in low flows. Additionally, the inflow and storage have a relatively long-term effect on the release. These findings can help optimize the water resources management in the reservoirs.

Fan, Ming↗
DOE OSTI2026

Cyber-informed Engineering Dashboard Tool

The CIE Engineered Controls Database is a large collection of entries and stored in a json structure which makes manual analysis of entries challenging. The dashboard provides a user with a simple interface to look through the database contents.

Lampe, BenjaminR↗