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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 1,099 records · Page 61
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Zinc Corrosion in Borated, Buffered Post-LOCA Solutions

This current research provides a broad assessment of recently evaluated zinc corrosion in simulated non-buffered and buffered post-LOCA solution as a function of pH, temperature, velocity, boron concentration and surface area. Corrosion rates obtained can be used for further zinc borate formation analysis or to plan further zinc corrosion studies. Experiments are conducted utilizing a three-electrode electrochemical system in a glass cell. Aqueous solutions used in testing simulate reactor containment building (RCB) pool water under various LOCA scenarios that are representative of US PWR RCB pool water: boric acid only, boric acid with trisodium phosphate, boric acid with sodium hydroxide, and boric acid with sodium tetraborate. The specimens used in this work are machined from 99.6% pure zinc rods that are used as a surrogate for the high purity zinc layer of galvanized steel. Prior to the experiment, the specimens are first polished and then left exposed to the atmosphere for approximately one day at room temperature. Prior to each test, the zinc specimen are sequentially rinsed with deionized water and acetone, and then dried by evaporation in air at room temperature. Prepared samples are then mounted in the glass cell test apparatus and rotated on a spindle at a desired velocity for a specified duration. Instantaneous corrosion rate as a function of time and total zinc mass corroded, which may either be released into solution or incorporated into surface scale, is determined by electrochemical impedance spectroscopy (EIS) analysis. Corrosion rates after 24 hours of immersion are determined from a full potential dynamic scan and from weight loss measurements of descaled post-test samples. The solution zinc concentration resulting from zinc corrosion is determined by inductively coupled plasma optical emission spectroscopy (ICP-OES). Preliminary results show that zinc corrosion with a zinc surface area-to-liquid volume ratio of 0.0003 m2/L in a borated, buffered solution (55 deg. C, pH 7.2) exposed to a velocity of 0.5 ft/s is between 4.9 X to 2.3 X less than that obtained by the Kyrk et al study, which examines a lower temperature, lower pH with a 5.5 X larger surface area-to-volume ratio. This initial finding suggests that the corrosion of zinc, which supplies a zinc source term to form zinc borates, may not be insignificant under conditions of interest (borated, buffered post-LOCA solutions). Further experiments are currently underway that evaluate the influence of pH, velocity, temperature, buffer type, boron concentration and surface area-to-volume ratio on zinc corrosion. Preliminary results suggest two of the three buffer types examined as conditions of interest to US PWRs likely produce zinc corrosion within the range observed by Kyrk et al. Current preliminary results indicate that buffer type, temperature, pH and velocity each have an impact on the zinc corrosion rate. Quantification of zinc mass lost to solution and incorporated into scale is currently underway, as is the characterization of velocity and boric acid effects on zinc corrosion.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Active Learning Meets Foundation Models: Fast Remote Sensing Data Annotation for Object Detection

Object detection in remote sensing demands extensive, high-quality annotations—a process that is both labor-intensive and time-consuming. In this work, we introduce a real-time active learning and semi-automated labeling framework that leverages foundation models to streamline dataset annotation for object detection in remote sensing imagery. For example, by integrating a Segment Anything Model (SAM), our approach generates mask-based bounding boxes that serve as the basis for dual sampling: (a) uncertainty estimation to pinpoint challenging samples, and (b) diversity assessment to ensure broad data coverage. Furthermore, our Dynamic Box Switching Module (DBS) addresses the well-known cold start problem for object detection models by replacing its suboptimal initial predictions with SAM-derived masks, thereby enhancing early-stage localization accuracy. Extensive evaluations on multiple remote sensing datasets plus a real-world user study, demonstrate that our framework not only reduces annotation effort, but also significantly boosts detection performance compared to traditional active learning sampling methods. The code for training and the user interface will be made available.

Burges, Marvin [ORNL] (ORCID:0000000312690769)↗
NASA NTRS2001

Fluid Dynamics of a Pressure Reducing Inlet

Instruments for the monitoring of hazardous gases in and near the space shuttle collect sample gas at pressures on the order of one atmosphere and analyze their properties in an ultra-high vacuum by means of a quadrupole-mass-spectrometer partial pressure transducer. Sampling systems for such devices normally produce the required pressure reduction through combinations of vacuum pumps, fluid Tees and flow restrictors (e.g. orifices, sintered metal frits or capillaries). The present work presents an analytical model of the fluid dynamics of such a pressure reduction system which enables the calculation of the pressure in the receiver vessal in terms of system parameters known from the specifications for a given system (e.g. rated pumping speeds of the pumping hardware and the diameters of two orifices situated in two branches of a fluid Tee). The resulting formulas will expedite the fine tuning of instruments now under development and the design of later generations of such devices.

Russell, John M.↗
DOE OSTI2023

Facile hermetic TEM grid preparation for molecular imaging of hydrated biological samples at room temperature

Abstract Although structures of vitrified supramolecular complexes have been determined at near-atomic resolution, elucidating in situ molecular structure in living cells remains a challenge. Here, we report a straightforward liquid cell technique, originally developed for real-time visualization of dynamics at a liquid-gas interface using transmission electron microscopy, to image wet biological samples. Due to the scattering effects from the liquid phase, the micrographs display an amplitude contrast comparable to that observed in negatively stained samples. We succeed in resolving subunits within the protein complex GroEL imaged in a buffer solution at room temperature. Additionally, we capture various stages of virus cell entry, a process for which only sparse structural data exists due to their transient nature. To scrutinize the morphological details further, we used individual particle electron tomography for 3D reconstruction of each virus. These findings showcase this approach potential as an efficient, cost-effective complement to other microscopy technique in addressing biological questions at the molecular level.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2017

Individual Dynamical Masses of Ultracool Dwarfs

We present the full results of our decade-long astrometric monitoring programs targeting 31 ultracool binaries with component spectral types M7–T5. Joint analysis of resolved imaging from Keck Observatory and Hubble Space Telescope and unresolved astrometry from CFHT/WIRCam yields parallactic distances for all systems, robust orbit determinations for 23 systems, and photocenter orbits for 19 systems. As a result, we measure 38 precise individual masses spanning 30–115 M{sub Jup}. We determine a model-independent substellar boundary that is ≈70 M{sub Jup} in mass (≈L4 in spectral type), and we validate Baraffe et al. evolutionary model predictions for the lithium-depletion boundary (60 M{sub Jup} at field ages). Assuming each binary is coeval, we test models of the substellar mass–luminosity relation and find that in the L/T transition, only the Saumon and Marley “hybrid” models accounting for cloud clearing match our data. We derive a precise, mass-calibrated spectral type–effective temperature relation covering 1100–2800 K. Our masses enable a novel direct determination of the age distribution of field brown dwarfs spanning L4–T5 and 30–70 M{sub Jup}. We determine a median age of 1.3 Gyr, and our population synthesis modeling indicates our sample is consistent with a constant star formation history modulated by dynamical heating in the Galactic disk. We discover two triple-brown-dwarf systems, the first with directly measured masses and eccentricities. We examine the eccentricity distribution, carefully considering biases and completeness, and find that low-eccentricity orbits are significantly more common among ultracool binaries than solar-type binaries, possibly indicating the early influence of long-lived dissipative gas disks. Overall, this work represents a major advance in the empirical view of very low-mass stars and brown dwarfs.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Multiscale dynamic experiments on fiber-reinforced composites with damage assessment using high-speed synchrotron X-ray phase-contrast imaging

We report fiber-reinforced composites (FRCs) have been widely used as protection materials to replace heavier metals. However, predictive capabilities for the impact-induced failure of FRCs have not been well-developed. In this work, we introduced an integrated technique to visualize the dynamic failure of FRCs, with the modified Kolsky bar loading and the high-speed synchrotron X-ray phase-contrast imaging (PCI). We summarize our experimental studies across the FRCs’ structural levels by using this integrated technique, including single-fiber tensile experiments, fiber/matrix debonding experiments, and single-edge notched bending experiments on composite laminates. It is revealed that the high-speed synchrotron X-ray PCI technique possesses sufficient spatial resolution to identify the failure behavior of a single fiber in the 10-μm scale level, as well as temporal resolution to identify the time sequence of internal dynamic damage evolution. The technique can penetrate through the opaque composite sample and provide real-time visualization of small-scale damaging mechanisms such as the embedded fiber’s sliding in the matrix and the fiber’s transverse debonding with the matrix. At an expanding scale, the technique can identify the crack initiation and track the cracking behavior inside a single ply or between different plies of a composite laminate. High-speed visualization inside the material by this integrated technique provides critical deformation and failure information to develop physical understanding of the damage inside composites under impact.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Long timescale solvation dynamics and confinement: The case of non-ionic deep eutectic solvents of lauric acid and N-methylacetamide

Microscopic segregation and molecular heterogeneities in complex liquids are the result of the interplay between different intermolecular forces, all of which contribute to the energy landscape of the system. A consequence of the intricate energy landscape is the nontrivial effect on the solvation dynamics. Here, the impact of molecular heterogeneities on the solvation dynamics is studied using infrared spectroscopies and molecular dynamics simulations. In particular, this study focuses on the dynamical effect of nanoscopic heterogeneities present in deep eutectic solvents (DESs) composed of lauric acid (LA) and N-methylacetamide (NMA). To this end, a molecular probe containing a carbon triple bond is used as an infrared reporter. The results show that the vibrational probe is likely to be located in the NMA polar domains. Furthermore, the probe solvation dynamics derived from the 2DIR spectra presents a slowdown of its timescale with increasing LA concentration in the DES. Kubo modeling of the probe solvation dynamics shows a correlation between the amplitude of its long time component and the presence of molecular heterogeneities in the sample. Semiclassical modeling of the vibrational line shape of the triple bond stretch demonstrates that the heterogeneities affect the whole solvation dynamics of the system through the amplitudes of the frequency fluctuations. Molecular dynamics simulations confirm the experimental results and their interpretation by showing a slowdown of the solvation dynamics when the LA heterogeneities are present. Overall, the study presents a molecular framework to explain the effect of confinement created by nanoscopic LA heterogeneities on the solvation dynamics of the system.

Chemical compounds↗
NASA NTRS2013

Confirmation of Small Dynamical and Stellar Masses for Extreme Emission Line Galaxies at z Approx. 2

Spectroscopic observations from the Large Binocular Telescope and the Very Large Telescope reveal kinematically narrow lines (approx. 50 km/s) for a sample of 14 extreme emission line galaxies at redshifts 1.4 < z < 2.3. These measurements imply that the total dynamical masses of these systems are low (< or approx. 3 × 10(exp 9) M). Their large [O III] (lambda)5007 equivalent widths (500-1100 Angstroms) and faint blue continuum emission imply young ages of 10-100 Myr and stellar masses of 10(exp 8)-10(exp 9)M, confirming the presence of a violent starburst. The dynamical masses represent the first such determinations for low-mass galaxies at z > 1. The stellar mass formed in this vigorous starburst phase represents a large fraction of the total (dynamical) mass, without a significantly massive underlying population of older stars. The occurrence of such intense events in shallow potentials strongly suggests that supernova-driven winds must be of critical importance in the subsequent evolution of these systems.

Confirmation↗
NASA NTRS1988

Observations on the dynamics of electromagnetically levitated liquid metals and alloys at elevated temperatures

Electromagnetic levitation and heating of small (0.5 to 1.0 gm) samples of Cu, Ni, and Ni-base alloys were performed in inert atmospheres. These experiments were recorded by high-speed photography using both regular film and video methods. Initial studies revealed interesting dynamics of the droplets that included axisymmetric oscillation, rotation, and oscillation mode changes. An attempt is made to explain the behavior using available models.

Hansen, G. P.↗
DOE OSTI2024

Asymptotic-preserving gyrokinetic implicit particle-orbit integrator for arbitrary electromagnetic fields

We extend the asymptotic preserving and energy conserving time integrator for charged-particle motion developed in Ricketson and Chacón (2020) to include finite Larmor-radius (FLR) effects in the presence of electric-field length-scales comparable to the particle gyro-radius (the gyro-kinetic limit). We introduce two modifications to the earlier scheme. The first is the explicit gyro-averaging of the electric field at the half time-step, along with an analogous modification to the current deposition, which we show preserves total energy conservation in implicit PIC schemes. The number of gyrophase samples is chosen adaptively, ensuring proper averaging for large timesteps and the recovery of full-orbit dynamics in the small time-step limit. The second modification is an alternating large and small time-step strategy that ensures the particle trajectory samples gyrophases evenly. We show that this strategy relaxes the time-step restrictions on the scheme, allowing even larger speed-ups than previously achievable. We demonstrate the new method with several single-particle motion tests in a variety of electromagnetic field configurations featuring gyro-scale variation in the electric field. Finally, the results demonstrate the advertised ability to capture FLR effects accurately even when significantly stepping over the gyration time-scale.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Density-Matrix Based Extended Lagrangian Born–Oppenheimer Molecular Dynamics

Extended Lagrangian Born–Oppenheimer molecular dynamics [ Phys. Rev. Lett. 2008, 100, 123004] is presented for Hartree–Fock theory, where the extended electronic degrees of freedom are represented by a density matrix, including fractional occupation numbers at elevated electronic temperatures. In contrast to regular direct Born–Oppenheimer molecular dynamics simulations, no iterative self-consistent field optimization is required prior to the force evaluations. To sample regions of the potential energy landscape where the gap is small or vanishing, which leads to particular convergence problems in regular direct Born–Oppenheimer molecular dynamics simulations, an adaptive integration scheme for the extended electronic degrees of freedom is presented. The integration scheme is based on a tunable, low-rank approximation of a fourth-order kernel, K, that determines the metric tensor, T ≡ K T K, used in the extended harmonic oscillator of the Lagrangian that generates the dynamics of the electronic degrees of freedom. Here, the formulation and algorithms provide a general guide to implement extended Lagrangian Born–Oppenheimer molecular dynamics for quantum chemistry, density functional theory, and semiempirical methods using a density matrix formalism.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2006

Improving the Near-Earth Micrometeoroid and Orbital Debris Environment Definition with LADC

The Large Area Debris Collector (LADC) is a 10 m(sup 2) aerogel and acoustic sensor system designed to characterize and collect submillimeter micrometeoroids and orbital debris on the International Space Station (ISS). The project is led by the U.S. Naval Research Laboratory (NRL) with major collaboration by the NASA Orbital Debris Program Office at Johnson Space Center. The U.S. Department of Defense Space Test Program (STP) is responsible for the integration, deployment, and retrieval of the system. The deployment is scheduled for August 2007 with an orbital collection period of one to two years. The combined area time product of LADC will provide a much needed orbital debris population update in the size regime that is important to the safety community - 100 mm and larger. Another key element for LADC is the source identification of the collected samples. Impact features such as track length and track volume can be used to estimate the impact speed and direction of any selected residual embedded in aerogel. Acoustic sensors can provide impact timing and impact location information. The combined dynamical signatures make it possible to reconstruct the orbits of some of the collected samples and lead to their source identification. Compositional analysis on the residuals can also separate debris from meteoroids and provide additional population breakdown for orbital debris (e.g., Al, paint, steel, Al2O3). To maximize the science return and minimize potential contamination from other ISS modules, a careful selection of the location and orientation of LADC on the ISS is needed. Key issues and engineering constraints encountered during mission preparation, and the expected science return based on the mission configuration, are summarized in this paper.

Liou, J.-C.↗
DOE OSTI2019

A CFD Study Assisted with Experimental Confirmation for Liquid Shape Control of Electromagnetically Levitated Bulk Materials

Two types of optimized electromagnetic levitators were designed to achieve the free surface shape control of metallic melts as the combined results of the Lorentz force, sample gravity, and surface tension. The levitation behavior of bulk melts was investigated using computational fluid dynamics (CFD) modeling coupled with high-frequency electromagnetic field analysis and the arbitrary Lagrangian–Eulerian (ALE) method. The difference in the oscillation behavior between the solid and molten samples was explained by the damping of the electromagnetic induction and liquid viscosity. The motion of the mass center, melt shape, flow pattern, and Lorentz force in the levitated melt were determined within a wide excitation current range. With the increase in the applied current, the melt’s centroid position rose sharply in the area with low current but displayed a slow increase in the area with high current. Meanwhile, the stable shape of the bulk melt showed the typical transition from a long taper through a short taper and then into a rhombus. The internal flow pattern transformed from a simple double-loop structure to a complex configuration with three or four loops. The dependence of the deformation on the Bond number was analyzed in the two types of levitators. In addition, the stable shape and swing process of the bulk Al melt within the two types of electromagnetic levitation (EML) systems were quantitatively studied under protective inert gas conditions. The melt contour could be well described by the 10th Legendre polynomial function with a deviation of less than 0.5 pct.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Autonomous elemental characterization enabled by a low cost robotic platform built upon a generalized software architecture

Despite the rapidly growing applications of robots in industry, the use of robots to automate tasks in scientific laboratories is less prolific due to the lack of generalized methodologies and the high cost of hardware. This paper focuses on the automation of characterization tasks necessary for reducing cost while maintaining generalization and proposes a software architecture for building robotic systems in scientific laboratory environments. A dual-layer (Socket.IO and ROS) action server design is the basic building block, which facilitates the implementation of a web-based front end for user-friendly operation and the use of ROS Behavior Trees for convenient task planning and execution. A robotic platform for automating mineral and material sample characterization is built upon the architecture, with an open-source, low-cost three-axis computer numerical control gantry system serving as the main robot. A handheld laser induced breakdown spectroscopy (LIBS) analyzer is integrated with a 3D printed adapter, enabling (1) automated 2D chemical mapping and (2) autonomous sample measurement (with the support of an RGB-Depth camera). We demonstrate the utility of automated chemical mapping by scanning the surface of a spodumene-bearing pegmatite core sample with a 1071-point dense hyperspectral map acquired at a rate of 1520 bits per second. Furthermore, we showcase the autonomy of the platform in terms of perception, dynamic decision-making, and execution, through a case study of LIBS measurement of multiple mineral samples. The platform enables controlled and autonomous chemical quantification in the laboratory that complements field-based measurements acquired with the same handheld device, linking resource exploration and processing steps in the supply chain for lithium-based battery materials.

Cao, Xuan [Lawrence Berkeley National Laboratory (↗
DOE OSTI2016

Global sensitivity analysis in stochastic simulators of uncertain reaction networks

Stochastic models of chemical systems are often subjected to uncertainties in kinetic parameters in addition to the inherent random nature of their dynamics. Uncertainty quantification in such systems is generally achieved by means of sensitivity analyses in which one characterizes the variability with the uncertain kinetic parameters of the first statistical moments of model predictions. In this work, we propose an original global sensitivity analysis method where the parametric and inherent variability sources are both treated through Sobol’s decomposition of the variance into contributions from arbitrary subset of uncertain parameters and stochastic reaction channels. The conceptual development only assumes that the inherent and parametric sources are independent, and considers the Poisson processes in the random-time-change representation of the state dynamics as the fundamental objects governing the inherent stochasticity. Here, a sampling algorithm is proposed to perform the global sensitivity analysis, and to estimate the partial variances and sensitivity indices characterizing the importance of the various sources of variability and their interactions. The birth-death and Schlögl models are used to illustrate both the implementation of the algorithm and the richness of the proposed analysis method. The output of the proposed sensitivity analysis is also contrasted with a local derivative-based sensitivity analysis method classically used for this type of systems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Selective NMR observation of the SEI–metal interface by dynamic nuclear polarisation from lithium metal

While lithium metal represents the ultimate high-energy-density battery anode material, its use is limited by dendrite formation and associated safety risks, motivating studies of the solid–electrolyte interphase layer that forms on the lithium, which is key in controlling lithium metal deposition. Dynamic nuclear polarisation enhanced NMR can provide important structural information; however, typical exogenous dynamic nuclear polarisation experiments, in which organic radicals are added to the sample, require cryogenic sample cooling and are not selective for the interface between the metal and the solid–electrolyte interphase. Here we instead exploit the conduction electrons of lithium metal to achieve an order of magnitude hyperpolarisation at room temperature. We enhance the 7 Li, 1 H and 19 F NMR spectra of solid–electrolyte interphase species selectively, revealing their chemical nature and spatial distribution. These experiments pave the way for more ambitious room temperature in situ dynamic nuclear polarisation studies of batteries and the selective enhancement of metal–solid interfaces in a wider range of systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Influence of dynamic annealing of irradiation defects on the deuterium retention behaviors in tungsten irradiated with neutron

Tungsten (W) samples were damaged by neutron and 6.4 MeV Fe-ion irradiation above 1000 K simulating the divertor operation temperature. Deuterium (D) retention properties were examined by decorating the damaged W with D and subsequent thermal desorption spectroscopy (TDS) measurements. Vacancy clusters were the major D trapping site in the W irradiated with Fe-ion at 873 K, although D retention by vacancy clusters decreased in the W irradiated with Fe-ion at 1173 K due to dynamic annealing. The D de-trapping activation energy from vacancy clusters was found to be 1.85 eV. D retention in neutron damage W was larger than that damaged by Fe-ion due to the uniform distribution of irradiation defects. The D desorption behaviors from neutron damaged W was simulated well by assuming the D de-trapping activation energy to be 1.52 eV.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Effect of the fictive temperature on the modulus, hardness, yield strength, dynamic mechanical and creep response of Zr 44 Ti 11 Cu 10 Ni 10 Be 25 metallic glasses

Characterizing the dependence of the mechanical properties and structure of metallic glasses on processing parameters and thermal history is of significant importance to understand the nature of glass. One way of defining a specific structural state of a glass is by means of its fictive temperature T f at which the supercooled liquid falls out of a metastable equilibrium and forms a glass. Since the metastable equilibrium state before quenching is assumed to be well defined, T f is ultimately thought of as a quantity that describes a specific, reproducibly obtainable structural state. In this research, the effect of systematic variations of an alloy’s structural state, achieved through purposefully setting its T f , on a range of mechanical properties like modulus, hardness, yield strength, and creep response is studied. Towards this end, amorphous Zr 44 Ti 11 Cu 10 Ni 10 Be 25 samples with different T f ’s were produced and subsequently examined using nanoindentation, dynamic mechanical thermal analysis, and density measurements. It is observed that the lower fictive temperatures directly result in a higher the packing efficiency, i.e., a lower available (‘free’) volume in the glass. The resulting denser atomic packing manifests in increased values for hardness, modulus, and yield strength. These effects were found to be substantial despite the fact that all samples featured the exact same chemical composition and phase.

36 MATERIALS SCIENCE↗