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At least 271 records · Page 15

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NASA NTRS2012

Symbolic Execution Enhanced System Testing

We describe a testing technique that uses information computed by symbolic execution of a program unit to guide the generation of inputs to the system containing the unit, in such a way that the unit's, and hence the system's, coverage is increased. The symbolic execution computes unit constraints at run-time, along program paths obtained by system simulations. We use machine learning techniques treatment learning and function fitting to approximate the system input constraints that will lead to the satisfaction of the unit constraints. Execution of system input predictions either uncovers new code regions in the unit under analysis or provides information that can be used to improve the approximation. We have implemented the technique and we have demonstrated its effectiveness on several examples, including one from the aerospace domain.

Davies, Misty D.↗

NASA NTRS2021

Melt Infiltration Studies of 2D Tyranno SA3(R) Ceramic Matrix Composite Preforms with CrSi2 Intermetallic Alloy

The present paper reports the results of melt infiltrating 2D Tyranno SA3@ fiber woven preforms with molten CrSi2 between 1768 and 1896 K under a vacuum of 1.3 x 10-4 Pa (10-6 torr). The infiltration times varied between 1800 and 7200 s, which did not have any significant effect on the volume fraction of voids filled with the metal. Optical and scanning electron microscopy, back scattered electron imaging, energy dispersion spectroscopy and Raman spectroscopy were used to characterize the infiltrated preforms. A plot of the volume fraction of open voids infiltrated against the absolute melt infiltration temperature showed a sharp peak at 1773 K with almost complete infiltration of the voids at this temperature. The extent of silicide infiltration of the preforms dropped steeply above 1773 K with increasing melt infiltration temperature irrespective of the amount of infiltration time. Above 1805 K, the volume fraction of voids infiltrated with the melt was nearly 0%. It is demonstrated that CrSi2 did not show evidence of a reaction with the SiC fibers. The possibility that a resisting force due to contact angle hysteresis (CAH) may have influenced the diminishing amount of voids filled with increasing temperature above 1773 K was examined. The resistance force was estimated to be extremely small to be consequential. Another possibility that the CrSi2 may have decomposed into Cr(g) and Si(g) in the vacuum melt infiltration furnace appeared to be more plausible based on thermodynamic analyses. An empirical equation is proposed to calculate the amount of remaining charge left to infiltrate the preforms at the infiltration temperature. It is shown that an initial charge of 10 g would rationalize the present observations. While the decomposition of the CrSi2 appeared to mostly explain the present results, some discrepancies were observed, which were inconsistent with the decomposition model.

CrSi2, chromium silicide, ceramic matrix composite↗

DOE OSTI2024

Label-free single-vesicle based surface enhanced Raman spectroscopy: A robust approach for investigating the biomolecular composition of small extracellular vesicles

Small extracellular vesicles (sEVs) are cell-released vesicles ranging from 30-150nm in size. They have garnered increasing attention because of their potential for both the diagnosis and treatment of disease. The diversity of sEVs derives from their biological composition and cargo content. Currently, the isolation of sEV subpopulations is primarily based on bio-physical and affinity-based approaches. Since a standardized definition for sEV subpopulations is yet to be fully established, it is important to further investigate the correlation between the biomolecular composition of sEVs and their physical properties. In this study, we employed a platform combining single-vesicle surface-enhanced Raman spectroscopy (SERS) and machine learning to examine individual sEVs isolated by size-exclusion chromatography (SEC). The biomolecular composition of each vesicle examined was reflected by its corresponding SERS spectral features (biomolecular “fingerprints”), with their roots in the composition of their collective Raman-active bonds. Origins of the SERS spectral features were validated through a comparative analysis between SERS and mass spectrometry (MS). SERS fingerprinting of individual vesicles was effective in overcoming the challenges posed by EV population averaging, allowing for the possibility of analyzing the variations in biomolecular composition between the vesicles of similar and/or different sizes. Using this approach, we uncovered that each of the size-based fractions of sEVs contained particles with predominantly similar SERS spectral features. Indeed, more than 84% of the vesicles residing within a particular group were clearly distinguishable from that of the other EV sub-populations, despite some spectral variations within each sub-population. Our results suggest the possibility that size-based EV fractionation methods produce samples where similarly eluted sEVs are correlated with their respective biochemical contents, as reflected by their SERS spectra. Our findings therefore highlight the possibility that the biogenesis and respective biological functionalities of the various sEV fractions may be inherently different.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2025

Frictionless knowledge injection for few-shot learning

Cutting-edge machine learning methods often require large volumes of curated training data, precluding their use in national security problems with rare events in massive datasets. We present a method for incorporating abstract knowledge into models tailored for sparse data. A subject matter expert defines salient concepts using data examples, which are encoded in the model’s embedding space. Models are then trained to respect these concepts. This method enables knowledge injection, yielding effective models with limited labeled data and the ability to assess model sensitivity for subject matter expertise across the nonproliferation mission space, as demonstrated with Raman spectra analysis.

Stomps, Jordan [ORNL] (ORCID:0000000178114479)↗

DOE OSTI2025

Morphology, Deformations, and Photocatalytic Activity of Thermally Treated Brookite Titanium Dioxide Thin Films

Metastable states, in which the coupling between long-range lattice deformations and electronic properties can be controlled, provide a pathway to tailoring the behavior of photocatalytic materials by directing the flow of photoinduced charge carriers. Brookite is a metastable polymorph of earth-abundant TiO 2 that exhibits photocatalytic function and, due to its high energy relative to the anatase and rutile polymorphs, may serve as a precursor for the formation of transitional metastable structures. In this work, facile thermal annealing is employed to promote the formation of predominantly brookite-phase films, regulate the brookite lattice distortions, and determine the effect of these distortions on charge separation, ultimately directed at enhancing photocatalytic activity. Profile fitting of X-ray diffraction patterns and peak shifts in Raman spectra revealed structural distortions of the brookite lattice. Structural defects, including lattice gliding, dislocations, stacking faults, and twin boundaries, were observed using scanning transmission electron microscopy. First-principles simulations reveal how the lattice distortions associated with stacking faults induce band bending, thus increasing the photocatalytic activity of brookite. In conclusion, this study provides insight into the microstructural tuning of metastable phases to enhance their unique functionalities.

band bending↗

NASA NTRS1986

The discrimination between crude-oil spills and monomolecular sea slicks by an airborne lidar

Airborne lidar measurements were performed over a deployed monomolecular oleyl alcohol surface film ('slick'), the physicochemical characteristics of which are known to be similar to biogenic organic compounds secreted by plankton and fish, and adjacent 'clean' sea surfaces in the North Sea. In the presence of the slick, the suppression of the Raman backscatter at 381 nm and of two spectral bands indicative of water column fluorescent organic material at 414 and 482 nm were observed. This effect is explained by two possible mechanisms giving rise to a modification of the transmission or coupling of the laser beam into the water column: (1) the damping of capillary and short gravity water waves by the oleyl alcohol slick, and (2) the modification of the uppermost water layer by the oleyl alcohol film. The results obtained in the presence of a slick are compared with data measured over a Murban crude-oil spill with the same lidar system off the coast of the U.S.A. The consequences of the lidar-monomolecular film experiments with regard to the remote detection of crude-oil spills and oil-thickness measurements with an airborne laser fluorosensing system will be discussed.

Huehnerfuss, H.↗

NASA NTRS1998

Detailed Experimental Data for CFD Code Validation

Recent interest in low cost, reliable access to space has generated increased interest in advanced technology approaches to space transportation systems. A key to the success of such programs lies in the development of advanced propulsion systems capable of achieving the performance and operations goals required for the next generation of space vehicles. One extremely promising approach involves the combination of rocket and air-breathing engines into a rocket-based combined-cycle engine (RBCC). A key element of that engine is the rocket ejector that is utilized in the zero to Mach two operating regime. Studies of RBCC engine concepts are not new and studies dating back thirty years are well documented in the literature. However, studies focused on the rocket ejector mode of the RBCC cycle are lacking. The present investigation utilizes an integrated experimental and computation fluid dynamics (CFD) approach to examine critical rocket ejector performance issues. In particular, the development of a predictive methodology capable of performance prediction is a key objective in order to analyze thermal choking and its control, primary/secondary pressure matching considerations, and effects of nozzle expansion ratio. To achieve this objective, the present study emphasizes obtaining new data using advanced optical diagnostics such as Schlieren photography and Raman spectroscopy, and CFD techniques to investigate mixing in the rocket ejector mode. A new research facility for the study of the rocket ejector mode has been developed. In the last milestone report, the operational capabilities of this research facility were described. In this milestone report, the experimentally obtained measurements for CFD code validation are presented and discussed.

Santoro, Robert J.↗

NASA NTRS2022

Identifying Shocked Feldspar on Mars Using Perseverance Spectroscopic Instruments: Implications for Geochronology Studies on Returned Samples

The Perseverance rover (Mars 2020) mission, the first step in NASA’s Mars Sample Return (MSR) program, will select samples for caching based on their potential to improve understanding Mars’ astrobiological, geological, geochemical, and climatic evolution. Geochronologic analyses will be among the key measurements planned for returned samples. Assessing a sample’s shock history will be critical because shock metamorphism could influence apparent sample age. Shock effects in one Mars-relevant mineral class, plagioclase feldspar, have been well- documented using various spectroscopy techniques (thermal infrared reflectance, emission, and transmission spectroscopy, Raman, and luminescence). A subset of these data will be obtained with the SuperCam and SHERLOC (Scanning Habitable Environments with Raman & Luminescence for Organics & Chemicals) instruments onboard Perseverance to inform caching decisions for MSR. Here, we review shock indicators in plagioclase feldspar as revealed in Raman, luminescence, and IR spectroscopy lab data, with an emphasis on Raman spectroscopy. We consider how this information may inform caching decisions for selecting optimal samples for geochronology measurements. We then identify challenges and make recommendations for both in situ measurements performed with SuperCam and SHERLOC and for supporting lab studies to enhance the success of geochronologic analyses after return to Earth.

mars↗

DOE OSTI2024

Identification and time evolution of thionyl chloride (SOCl 2 ) radiolysis products

In this study, innovative solutions are needed to reduce the amount of high-level waste generated by used nuclear fuel recycling strategies to support the widespread adoption of sustainable nuclear fission energy technologies. To this end, a new sulfur chloride-based process has been developed to recycle zirconium alloy-based materials, which make up a significant fraction of high-level radioactive waste. To support the continued development of this process, we present new data on the potential reaction pathways over time of the products arising from the gamma and electron beam radiolysis of neat thionyl chloride (SOCl 2 ). Interrogation of the gamma irradiated liquid by Raman spectroscopy provided more conclusive identification of the SOCl 2 degradation products, specifically sulfur dichloride (SCl 2 ), molecular chlorine (Cl 2 ), sulfur dioxide (SO 2 ), and sulfuryl chloride (SO 2 Cl 2 ). In comparison, the high dose rate (~10 7 Gy s -1 ) electron beam irradiations formed significantly more degradation products. For both cobalt-60 gamma and electron beam irradiations, the observed degradation products were found to evolve as a function of time post-irradiation via the same reaction pathways, with indication of a solvent regeneration mechanism. These findings are fortuitous for process development, as such a mechanism would be beneficial for process longevity and cost effectiveness.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

NASA NTRS2003

Nonlinear Resonant Oscillations of Gas in Optimized Acoustical Resonators and the Effect of Central Blockage

Optimizing resonator shapes for maximizing the ratio of maximum to minimum gas pressure at an end of the resonator is investigated numerically. It is well known that the resonant frequencies and the nonlinear standing waveform in an acoustical resonator strongly depend on the resonator geometry. A quasi-Newton type scheme was used to find optimized axisymmetric resonator shapes achieving the maximum pressure compression ratio with an acceleration of constant amplitude. The acoustical field was solved using a one-dimensional model, and the resonance frequency shift and hysteresis effects were obtained through an automation scheme based on continuation method. Results are presented for optimizing three types of geometry: a cone, a horn-cone and a half cosine- shape. For each type, different optimized shapes were found when starting with different initial guesses. Further, the one-dimensional model was modified to study the effect of an axisymmetric central blockage on the nonlinear standing wave.

Li, Xiao-Fan↗

DOE OSTI2024

High–Performance NiCo 2 O 4 /Graphene Quantum Dots for Asymmetric and Symmetric Supercapacitors with Enhanced Energy Efficiency

For the sustainable growth of future generations, energy storage technologies like supercapacitors and batteries are becoming more and more common. However, reliable and high-performance materials’ design and development is the key for the widespread adoption of batteries and supercapacitors. Quantum dots with fascinating and unusual properties are expected to revolutionize future technologies. However, while the recent discovery of quantum dots honored with a Nobel prize in Chemistry, their benefits for the tenacious problem of energy are not realized yet. In this context, herein, chemical-composition tuning enabled exceptional performance of NiCo 2 O 4 (NCO)/graphene quantum dots (GQDs) is reported, which outperform the existing similar materials, in supercapacitors. A comprehensive study is performed on the synthesis, characterization, and electrochemical performance evaluation of highly functional NCO/GQDs in supercapacitors delivering enhanced energy efficiency. The high-performance, functional NCO/GQDs electrode materials are synthesized by the incorporation of GQDs into NCO. The effect of variable amount of GQDs on the energy performance characteristics of NCO/GQDs in supercapacitors is studied systematically. In-depth structural and chemical bonding analyses using X-ray diffraction (XRD) and Raman spectroscopic studies indicate that all the NCO/GQDs composites crystallize in the spinel cubic phase of NiCo 2 O 4 while graphene integration evident in all the NCO/GQDs. The scanning electron microscopy imaging analysis reveals homogeneously distributed spherical particles with a size distribution of 5–9 nm validating the formation of QDs. The high-resolution transmission electron microscopy analyses reveal that the NCOQDs are anchored on graphene sheets, which provide a high surface area of 42.27 m 2 g –1 and high mesoporosity for the composition of NCO/GQDs-10%. In addition to establishing reliable electrical connection to graphene sheets, the NCOQDs provide reliable 3D-conductive channels for rapid transport throughout the electrode as well as synergistic effects. Chemical-composition tuning, and optimization yields NCO/GQDs-10% to deliver the best specific capacitance of 3940 Fg –1 at 0.5 Ag –1 , where the electrodes retain ≈98% capacitance after 5000 cycles. The NCO/GQD-10%//AC asymmetric supercapacitor device demonstrates outstanding energy density and power density values of 118.04 Wh kg –1 and 798.76 W kg –1 , respectively. The NCO/GQDs-10%//NCO/GQDs-10% symmetric supercapacitor device delivers excellent energy and power density of 24.30 Wh kg –1 and 500 W kg –1 , respectively. These results demonstrate and conclude that NCO/GQDs are exceptional and prospective candidates for developing next-generation high-performance and sustainable energy storage devices.

25 ENERGY STORAGE↗

NASA NTRS1973

A new effect in the depolarization of resonant light scattering from molecules in the vapor phase: I2

Theoretical discussions of the depolarization ratios in two types of resonance processes are given. These processes are discrete state resonance fluorescence, and Raman scattering when the resonance is between a bound state and evanescent-dissociative states. Theory predicts a dramatic difference for these two cases due to a quantum mechanical phase cancellation in the case of virtual dissociative states. The predictions have been verified experimentally.

Silverstein, S. D.↗

NASA NTRS1978

Laser amplification of incoherent radiation

The amplification of noise in a laser amplifier is treated theoretically. The model for the active medium and its description using density-matrix techniques, are taken from the theory of laser operation. The spectral behavior of the radiation in the nonlinear regime is studied and the formalism is written from the onset in the frequency domain. The statistics of the light are gradually modified by the nonlinear amplification process, and expressions are derived for the rate of change of fluctuations in intensity as a measure of statistical changes. In addition, the range of validity of Litvak's Gaussian-statistics approximation is discussed. In the homogeneous-broadening case, the evolution of initially broadband Gaussian radiation toward quasimonochromatic oscillations with laserlike statistics is explored in several numerical examples. The connections of this study with the time-domain work on self-pulsing in a ring-laser configuration, are established. Finally, spectral-narrowing and -rebroadening effects in Doppler-broadened media are discussed both analytically and with numerical examples. These examples show the distinct contribution of pulsations in the population ('Raman-type terms'), and saturation phenomena.

Menegozzi, L. N.↗

NASA NTRS2018

Heating Experiments of the Tagish Lake Meteorite: Investigation of the Effects of Short-Term Heating on Chondritic Organics

We present in this study the effects of short-term heating on organics in the Tagish Lake meteorite and how the difference in the heating conditions can modify the organic matter (OM) in a way that complicates the interpretation of a parent body's heating extent with common cosmo thermometers. The kinetics of short-term heating and its influence on the organic structure are not well understood, and any study of OM is further complicated by the complex alteration processes of the thermally metamorphosed carbonaceous chondrites - potential analogues of the target asteroid Ryugu of the Hayabusa2 mission - which had experienced post-hydration, short-duration local heating. In an attempt to understand the effects of short-term heating on chondritic OM, we investigated the change in the OM contents of the experimentally heated Tagish Lake meteorite samples using Raman spectroscopy, scanning transmission X-ray microscopy utilizing X-ray absorption near edge structure spectroscopy, and ultra-performance liquid chromatography fluorescence detection and quadrupole time of flight hybrid mass spectrometry. Our experiment suggests that graphitization of OM did not take place despite the samples being heated to 900 degrees Centigrade for 96 hours, as the OM maturity trend was influenced by the nature of the OM precursor, such as the presence of abundant oxygenated moieties. Although both the intensity of the 1s-sigma σ* exciton cannot be used to accurately interpret the peak metamorphic temperature of the experimentally heated Tagish Lake sample, the Raman graphite band widths of the heated products significantly differ from that of chondritic OM modified by long-term internal heating.

Chan, Queenie Hoi Shan↗

DOE OSTI2025

Hydrotrope-enabled high concentration aqueous electrolytes for reversible and sustainable iron metal anodes

Iron metal-based energy storage devices hold great potential in stationary grid-scale sustainable energy due to the high theoretical specific capacity, ultralow cost, and abundance of iron. However, their practical deployment is limited by the poor reversibility of iron plating and stripping, as well as competitive hydrogen evolution. Here we introduce the concept of hydrotropy into iron electrolytes by developing an environmentally friendly and cost-effective high-concentration ferrous sulfate electrolyte using urea as a hydrotropic agent. The designed electrolyte increases the Coulombic efficiency of iron metal electrodes to approximately 96.5%, compared with ~84.6% for the dilute electrolyte. Molecular dynamics simulations and Raman spectroscopy illustrate that urea regulates the competitive coordination of anions and urea in the iron solvation sheath, while reconstructing the hydrogen-bond network in free water molecules. This reduces the activity of both solvated and free water, thereby alleviating hydrogen evolution. Moreover, the coordinated anions and urea molecules facilitate the in-situ formation of an organic-inorganic hybrid protective layer on the metallic iron, establishing a physical barrier against water and promoting homogeneous interfacial reactions. This work demonstrates an appealing opportunity to design cost-effective and high-performance electrolytes and propels the practical application of iron metal-based energy storage devices.

Feng, Guangxia [Stanford Univ., CA (United States)↗

NASA NTRS2017

Ultraviolet Testing of Space Suit Materials for Mars

Human missions to Mars may require radical changes in the approach to extra-vehicular (EVA) suit design. A major challenge is the balance of building a suit robust enough to complete multiple EVAs under intense ultraviolet (UV) light exposure without losing mechanical strength or compromising the suit's mobility. To study how the materials degrade on Mars in-situ, the Jet Propulsion Laboratory (JPL) invited the Advanced Space Suit team at NASA's Johnson Space Center (JSC) to place space suit materials on the Scanning Habitable Environments with Raman & Luminescence for Organics and Chemicals (SHERLOC) instrument's calibration target of the Mars 2020 rover. In order to select materials for the rover and understand the effects from Mars equivalent UV exposure, JSC conducted ground testing on both current and new space suit materials when exposed to 2500 hours of Mars mission equivalent UV. To complete this testing, JSC partnered with NASA's Marshall Space Flight Center to utilize their UV vacuum chambers. Materials tested were Orthofabric, polycarbonate, Teflon, Dacron, Vectran, spectra, bladder, nGimat coated Teflon, and nGimat coated Orthofabric. All samples were measured for mass, tensile strength, and chemical composition before and after radiation. Mass loss was insignificant (less than 0.5%) among the materials. Most materials loss tensile strength after radiation and became more brittle with a loss of elongation. Changes in chemical composition were seen in all radiated materials through Spectral Analysis. Results from this testing helped select the materials that will fly on the Mars 2020 rover. In addition, JSC can use this data to create a correlation to the chemical changes after radiation-which is what the rover will send back while on Mars-to the mechanical changes, such as tensile strength.

Larson, Kristine↗

NASA NTRS2017

Ultraviolet Testing of Space Suit Materials for Mars

Larson, Kristine↗

DOE OSTI2026

Dynamics of Radiation Damage Buildup in Ultrathin Hexagonal Boron Nitride Films under Ion Bombardment

Two-dimensional hexagonal boron nitride (hBN) is attractive for several emerging applications. Ion bombardment can be used to modify the hBN properties. However, the understanding of radiation damage buildup in hBN remains limited. Here, we investigate the effects of the dose rate and ion mass on radiation damage buildup by studying 40 nm-thick hBN films bombarded at room temperature with 500 keV 4 He, 15 N, 40 Ar, and 129 Xe ions and comparing with results for ion bombardment of polycrystalline hBN ceramics. Raman spectroscopy is used to quantify damage buildup, and transmission electron microscopy is used for microstructural analysis. Experiments are complemented by molecular dynamics simulations of the formation and evolution of point defects. Lighter ions are found to be more efficient at disordering hBN than heavier ions. This observation points to a critical role of intracascade defect processes. In contrast, a negligible dose rate effect observed suggests limited intercascade defect dynamic annealing processes for these irradiation conditions. These findings provide a fundamental basis for hBN defect engineering.

2D materials↗