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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Complex multicomponent spectrum analysis with Deep Neural Network

Here, in this paper, we present the use of deep neural networks to estimate physical parameters from complex optical emission spectra of the D β /H β transition. Specifically, we focus on estimating the radio frequency electric field vector of the lower hybrid wave and isotope ratio within the scrape-off-layer plasma of the WEST tokamak. Fitting the spectral data using a traditional non-linear least squares analysis requires many free parameters and is computationally expensive, rendering the data unusable for real-time control. By implementing relatively small neural networks, the physical parameters can be directly extracted from the spectral data with reasonable accuracy in a few milliseconds. The deep neural network prediction can serve as input for a reduced model using least-squares fitting or for real-time control. We show that deep neural networks can be an effective tool for analyzing complex multicomponent spectra, providing a speedup of more than 10 5 times compared to least residual analysis, with an accuracy of 0.5% for the isotope ratio, and 0.09 kV/cm and 0.38 kV/cm for the RF radial and poloidal electric field respectively.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Temperature-dependent dynamic fouling on superhydrophobic and slippery nonwetting copper surfaces

Bioinspired, superhydrophobic and slippery liquid infused surfaces that offer nonwetting characteristics have been explored in recent years for fouling mitigation. However, most of the studies are in the context of biofouling or under static immersion at ambient temperature conditions that are not reflective of the dynamic flow environment in practice. This article presents, for the first time, a systematic study of dynamic fouling of superhydrophobic (SHS) and slippery lubricant-infused surfaces (LIS) over a range of flow and temperature conditions. In this work, copper metallic surfaces were textured via electrodeposition or etching and further functionalized to achieve SHS and, additionally, infiltrated with a lubricant to fabricate LIS. The nonwetting surfaces were studied for their fouling behavior in a rotating Couette flow of a supersaturated calcium sulfate solution at different rotational speed and temperature. Fouling mineral mass accumulation on the different surfaces was measured as a function of time over a period of days using inductively coupled plasma mass spectroscopy and the fouled surfaces were investigated using scanning electron microscopy. Both SHS and LIS showed superior anti-scaling performance at all ranges of variables. An analytical Hill-Langmuir model is presented, for the first time, to describe the time evolution of scaling within 20% accuracy over the range of parameters studied. The study is the first to juxtapose two surface texturing methods, electrodeposition and etching, and two nonwetting surface types, SHS and LIS, subject to a common suite of experiments to elucidate fundamental understanding of mineral fouling on nonwetting surfaces.

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

Development and characterization of an aerosol-generated multi-method analytical particle test material

Ceria (CeO 2 ) particles with low to ultra-low loading of nickel dopant were produced using an aerosol-based, droplet-to-particle synthesis via an in-line calcination technique. This aerosol-based synthesis method enables the production of particles with a monodisperse size distribution. These produced and well-characterized, multi-element, ceria-based particles demonstrate a material exemplar for multi-method analytical testing. They were prepared from a cerium nitrate feedstock where low loading nickel dopant was added at target Ni/(Ni + Ce) atomic percents of 1 %, 0.1 %, and 0.01 %, using a nickel nitrate spike. This methodology proved to produce ceria particles doped with a dynamic range of low to ultra-low loadings of nickel over a 24-h period, with consistent size distribution, morphology, and composition. The successful incorporation of nickel was demonstrated with bulk and single particle inductively coupled plasma mass spectroscopy and revealed notable particle-to-particle elemental homogeneity. X-ray photoelectron spectroscopy demonstrated the presence of a high concentration of nickel dopant incorporated preferentially toward the surface of the particles, and that this dopant aided oxidation of surface Ce(III) atoms to Ce(IV). These particle test materials were then validated through X-ray absorption near edge spectroscopy, comparing the ultra-low 0.01 % Ni and low 1 % Ni-doped ceria samples. This revealed a more-reduced oxidation state of the nickel with an increase in dopant concentration. Finally, this work demonstrates a synthesis and systematic characterization scheme to produce multi-method analytical test particulates.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Exploring constituent redistribution in irradiated U-19Pu-14Zr fuel via electron probe microanalysis

Here, the phenomena of constituent redistribution, wherein a previously homogeneous metallic fuel forms discrete, radially concentric compositional zones upon irradiation was investigated by examining an irradiated U-19Pu-14Zr fuel (where numbers represent wt. %) with a burnup of 11.5 at.% with electron probe microanalysis (EPMA) and quadruple inductively coupled plasma mass spectroscopy (Q-ICP-MS). EPMA-generated U, Pu, and Zr compositional data obtained from a diameter traverse of the sample was converted to mass and was used to: 1) compare the overall fuel element analysis results between the two methods, 2) determine the number of compositionally distinct zones forming as a result of constituent redistribution; and 3) quantify the post-irradiation loss or gain of U, Pu, and Zr atoms in each distinct compositional zone. Weight percent concentrations of U, Pu, and Zr for the overall cross section compare favorably between the two analytical methods, suggesting that the spatially resolved EPMA analysis complements bulk chemical analysis. Among the four identified compositional zones, post-irradiation quantification of U, Pu, and Zr elemental atom content changes shows that the quantity of U atoms lost from the innermost zone is slightly less than the quantity of U atoms gained by the middle two zones, and the quantity of Zr atoms lost from the high-U third zone is slightly less than is gained by the two innermost zones. Pu is lost from all four zones, although the innermost zone and the high-U third zone lose a significantly higher percentage (> 22 %) of their initial Pu atoms than the other two zones. For all three elements, EPMA cannot distinguish between atoms lost due to transport to a different zone from atoms lost due to nuclear processes; however, the insight gained from using this process can be used to experiment with new modeling techniques to predict constituent redistribution in U-Pu-Zr fuels.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Statistical fracture behavior of doped UO 2 using a ball-on-ring equibiaxial flexure test method

Metal oxide dopants, such as titanium and chromium oxides, have garnered considerable attention for their potential to increase grain size (≥ 30 µm) in UO 2 fuel, purportedly enhancing fission gas retention during reactor operation. Fuel performance is significantly impacted by fuel fracture behavior, so it is important to understand the effects of enhanced grain size and dopant content on UO 2 fuel fracture. UO 2 pellets were doped with 0.1 wt% TiO 2 and 0.3 wt% Cr 2 O 3 to alter density and grain size. Inductively coupled plasma mass spectroscopy measured dopant levels pre- and post-sintering. X-ray diffraction revealed lattice changes and microstrain via Rietveld refinement. Field emission scanning electron microscopy determined grain sizes of approximately 30 µm for TiO 2 doping and 7 µm for Cr 2 O 3 doping. Transverse rupture strength tests were performed on over 30 samples per dataset to obtain characteristic strength and Weibull modulus. Results indicate no statistical difference in fracture strength between 0.1 wt% TiO 2 doped UO 2 and undoped UO 2 , while 0.3 wt% Cr 2 O 3 doped UO 2 exhibited a 20% decrease in fracture strength. Doped UO 2 samples also showed reduced Weibull modulus compared to undoped UO 2 , suggesting increased scatter in fracture strength. This study's findings suggest that titanium and chromium oxide doping in UO 2 , regardless of grain size, induce residual stresses, decreasing fracture strength and increasing variability in fracture behavior.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

A fully ro-vibrationally resolved corona model for the molecular hydrogen Fulcher-𝛼 system

A ro-vibrationally resolved corona model for the molecular hydrogen Fulcher-𝛼 transition based on the Yacora solver is introduced. The model couples 1365 ro-vibrational levels of the 𝑋 1 ⁢𝛴$^+_𝑔$, 𝑑 3⁢ 𝛱 𝑢 and 𝑎 3 ⁢𝛴$^+_𝑔$ states via electron impact excitation from the ground state into the 𝑑 3⁢ 𝛱 𝑢 state and subsequent spontaneous emission into the 𝑎 3 ⁢𝛴$+_𝑔$ state. For the process of electron impact excitation a set of 45260 fully ro-vibrationally resolved cross sections calculated with the molecular convergent close-coupling (MCCC) method in the adiabatic-nuclei formulation is applied. The MCCC cross sections are compared with results of a scaling method used in other works, demonstrating the need for dedicated ro-vibrationally resolved cross sections. By post-processing the model output, entire Fulcher spectra can be simulated. These spectra are benchmarked with measurements from an inductively coupled plasma discharge at a pressure between 1.1–10 Pa and a RF power of 700 W. The model results agree very well with the experiment both in relative shape and in absolute value. A non-ro-vibrationally resolved, purely electronically resolved collisional radiative model for molecular hydrogen (including further states and reaction channels) is applied to investigate the validity of the corona approximation for the benchmark plasmas and the relevance of possible process extensions of the corona model. Furthermore, the influence of collisional quenching, autoionization and predissociation is discussed.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

Cs absorption capacity and selectivity of crystalline and amorphous Hf and Zr phosphates

Removal of radioactive Cs from sodium-rich solutions is a technical challenge that goes back to post World War II nuclear waste storage and treatment; and interest in this topic was reinvigorated by the Fukushima-Daiichi nuclear power plant disaster, 10 years ago. Since the 1960's there has been considerable focus on layered Zr phosphates as robust inorganic sorbents for separation of radionuclides such as Cs. Here we present synthesis and characterization, and direct comparison of Cs sorption capacity and selectivity of four related materials: 1) crystalline α-Zr phosphate and α-Hf phosphate, and 2) amorphous analogues of these. Powder X-ray diffraction, thermogravimetry, solid-state 31P magic angle spinning nuclear magnetic resonance (MAS-NMR) spectroscopy, and compositional analysis (inductively coupled plasma optical emission spectroscopy and mass spectroscopy, ICP OES and ICP MS) provided formulae; respectively M(HPO4)2∙1H2O and M(HPO4)2∙4H2O (M = Hf, Zr) for crystalline and amorphous analogues. Maximum Cs loading, competitive Cs-Na selectivity and maximum Cs-Na loading followed by the above characterizations plus 133Cs MAS-NMR spectroscopy revealed that amorphous analogues are considerably better Cs-sorbents (based on maximum Cs-loading and selectivity over Na) than the well-studied crystalline Zr-analogue. Additionally, crystalline α-Hf phosphate is better Cs-sorbent than crystalline α-Zr phosphate. All these studies consistently show that Hf phosphate is less crystallize than Zr phosphate, when obtained under similar or identical synthesis conditions. We attribute this to lower solubility of Hf phosphate compared to Zr phosphate, preventing ‘defect healing’ during the synthesis process.

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

Variations in GARS powder microstructure as a function of powder chemistry and particle size

The properties of metal produced through powder metallurgy depends on the feedstock used. Powders produced via gas atomization reaction synthesis (GARS) are used to produce oxide dispersion strengthened alloys. The desired powder size range can vary for each consolidation technique. However, powder microstructure also can vary with powder particle size, which in turn can impact the microstructure and properties of the consolidated parts. In this study, GARS powders are characterized via inductively coupled plasma mass spectroscopy, inert gas fusion, and high-resolution x-ray diffraction to determine variations in elemental and phase compositions. Transmission electron microscopy was used to understand microstructure variations as a function of chemistry and size. Across the three batches tested intermetallic content was 0.73–1.35 wt% in the 0-20 μm powder batch and increased to 2.46–3.80 wt% in the coarse 45-106 μm batch. Across all batches, volume percent of surface oxidation decreased with powder diameter, with volume percents within the range of 0.75–1.2 % across 10 μm powder particles, and below 0.4 % across coarse powder particles approximately 100 μm in diameter. These observations were supported by inert gas fusion measurements. However, the oxide layer was thicker in coarse powder particles due to a slower cooling rate. Increasing oxygen content in atomization gas to 2000 ppm and adding yttrium increased both the surface oxidation content and yttrium intermetallic content. Lastly, intermetallic phases within the powder coarsened with powder size. Intermetallic morphology changed from fine spherical intermetallic and columnar dendritic growth to a cellular structure with finer spherical intermetallic, to coarse irregular intermetallic and intermetallic along grain boundaries as a result of slower cooling rate and solidification rate in coarse powder particles. Furthermore, the addition of zirconium does not appear to significantly change intermetallic morphology, but the composition changed from a Y-Fe rich intermetallic to a Y-Zr-Fe intermetallic.

42 ENGINEERING↗
DOE OSTI2020

Mesoporous silica-encapsulated gold core–shell nanoparticles for active solvent-free benzyl alcohol oxidation

Silica-encapsulated gold core@shell nanoparticles (Au@SiO2 CSNPs) were synthesized via a bottom-up procedure and used to catalyze the selective oxidation of benzyl alcohol. The pore size, morphology, crystallinity and composition of Au@SiO2 was evaluated using non-local density functional theory, transmission electron microscopy, high-energy x-ray diffraction and inductively coupled plasma-mass spectroscopy, respectively. The nanoparticles exhibit a mesoporous shell with an average thickness of 25.5 Å which can enhance selectivity via preferential transport of the desired product (i.e., benzaldehyde) relative to larger, undesired products (i.e, benzoic acid/benzyl benzoate). GC-FID analysis revealed the addition of potassium carbonate to the solvent-free oxidation of benzyl alcohol increased conversion from 17.3 to 60.4% while decreasing selectivity from 98.7 to 75.0%. Under equivalent conditions, a bare gold nanoparticle control catalyst deposited on a silica support with a similar gold surface area took 6 times as long to reach the same conversion, achieving only 49.4% selectivity. These results suggest that the pore size distribution within the inert silica shell of Au@SiO2 CSNPs inhibits the formation of undesired products to facilitate the selective oxidation of benzaldehyde despite a basic environment, which reduces selectivity under typical conditions. The CSNPs demonstrated a much lower activation energy than the Au-SiO2 control catalyst, 37 ± 1.9 kJ/mol and 72 ± 7.1 kJ/mol, respectively. Thiele modulus analysis indicates the CSNP pore structure does not create a mass transport limitation due to the nano-scale path of diffusion through the pore structure to the active surface. The lower activation energy and mesopore distribution together suggest the Au@SiO2 catalyst demonstrates higher activity through beneficial in-pore orientation, both reducing competitive adsorption and promoting a single, lower activation energy mechanistic pathway.

benzyl alcohol oxidation, catalysis, confinement↗
DOE OSTI2020

Streaked optical pyrometer for proton-driven isochoric heating experiments of solid and foam targets

We have designed, built, and calibrated an ultrafast streaked optical pyrometer (SOP) with ~5 ps resolution for measuring the time-resolved surface blackbody temperature of an isochorically heated plasma. The pyrometer is calibrated to measure temperatures from 0.5 eV to 25 eV, with the option of adding calibrated neutral density filters to observe hotter plasmas. We demonstrated the use of this pyrometer on isochoric heating experiments using laser-accelerated proton beams as an energy source at the $f$ /40 beamline of the Texas Petawatt Laser. We used the large focal spot size (~80 μm radius) of the $f$ /40 pulses to accelerate high numbers of ~MeV protons off 5 μm thick solid gold targets. During our experimental campaign, we heated 10 μm thick aluminum foil targets to 1–10 eV over a duration of 50 ps and also observed heating to ~2 eV in 100 μm thick 60 mg/cm 3 carbon foams using the SOP to measure both the temperature and heating timescale.

Equations of state↗
DOE OSTI2020

A generalized forward fit for neutron detectors with energy-dependent response functions

To date, most analysis of neutron time-of-flight data from inertial confinement fusion experiments has focused on the relatively small range of energies corresponding to the primary neutrons from DD and DT fusion, and have therefore employed instrument response functions (IRF’s) corresponding to monoenergetic 2.45-MeV or 14.03-MeV neutrons. For analysis of time-of-flight signals corresponding to broader ranges of neutron energies, accurate treatment of the data requires the use of an energy-dependent IRF. Here, this work describes interpolation of the IRF for neutrons of arbitrary energy, construction of an energy-dependent IRF, and application of this IRF in a forward fit via matrix multiplication. As an example of the application of this method, an analysis of synthetic data relevant to TT fusion experiments at the Omega Laser Facility is discussed. This example is used to illustrate the differences between a forward fit that uses an energy-dependent IRF and a forward fit that uses a monoenergetic IRF. Use of the energy-dependent IRF is shown to result in accurate inference of the fit parameters of interest.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Using millimeter-sized carbon–deuterium foils for high-precision deuterium–tritium neutron spectrum measurements in direct-drive inertial confinement fusion at the OMEGA laser facility

Millimeter-sized CD foils fielded close (order mm) to inertial confinement fusion (ICF) implosions have been proposed as a game-changer for improving energy resolution and allowing time-resolution in neutron spectrum measurements using the magnetic recoil technique. This paper presents results from initial experiments testing this concept for direct drive ICF at the OMEGA Laser Facility. Additionally, while the foils are shown to produce reasonable signals, inferred spectral broadening is seen to be high (~5 keV) and signal levels are low (by ~20%) compared to expectation. Before this type of foil is used for precision experiments, the foil mount must be improved, oxygen uptake in the foils must be better characterized, and impact of uncontrolled foil motion prior to detection must be investigated.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Electronic structure of NdO via slow photoelectron velocity-map imaging spectroscopy of NdO –

Electronically excited NdO is a possible product of the chemistry associated with the release of Nd into the ionosphere, and emission from these states may contribute to the observations following such experiments. To better characterize the energetics and spectroscopy of NdO, we report a combined experimental and theoretical study using slow photoelectron velocity-map imaging spectroscopy of cryogenically cooled NdO – anions (cryo-SEVI) supplemented by wave function-based quantum-chemical calculations. Using cryo-SEVI, we measure the electron affinity of NdO to be 1.0091(7) eV and resolve numerous transitions to low-lying electronic and vibrational states of NdO that are assigned with the aid of the electronic structure calculations. Additionally, temperature-dependent data suggest contributions from the (2)4.5 state of NdO – residing 2350 cm –1 above the ground anion state. Finally, photodetachment to higher-lying excited states of NdO is also reported, which may help to clarify observations from prior release experiments.

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

Topography of bent crystals with microradian resolution in one dimension

Optimum performance in x-ray imaging and spectroscopy of plasmas with bent crystals is achievable only when the crystal reflects the x rays theoretically perfectly across its entire surface. However, typical thin quartz (101̄1) crystal samples kept flat by direct attachment to a flat substrate reflect 8 keV x rays differently across their surface, on a scale comparable to the ideal rocking curve. Additional processing improves the uniformity. Irradiation of flat crystals with collimated, monochromatic x rays in rocking curve topography shows such problems directly, with microradian resolution. Nonuniform x-ray reflection is more difficult to document for strongly bent crystals because, then, monochromatic, collimated x rays satisfy the Bragg condition only along a narrow stripe that may be too narrow to resolve with the available cameras. However, it can be resolved with a knife edge that moves through the reflected x rays with the necessary spatial precision as demonstrated here for a bent silicon crystal. This shows qualitatively similar imperfections in the reflection as flat quartz and as the bent quartz analyzers reported on previously with lower resolution.

Pereira, N. R. (ORCID:0000000290569596)↗
DOE OSTI2022

Measurements of low-mode asymmetries in the areal density of laser-direct-drive deuterium–tritium cryogenic implosions on OMEGA using neutron spectroscopy

Areal density is one of the key parameters that determines the confinement time in inertial confinement fusion experiments, and low-mode asymmetries in the compressed fuel are detrimental to the implosion performance. The energy spectra from the scattering of the primary deuterium–tritium (DT) neutrons off the compressed cold fuel assembly are used to investigate low-mode nonuniformities in direct-drive cryogenic DT implosions at the Omega Laser Facility. For spherically symmetric implosions, the shape of the energy spectrum is primarily determined by the elastic and inelastic scattering cross sections for both neutron-deuterium and neutron-tritium kinematic interactions. Two highly collimated lines of sight, which are positioned at nearly orthogonal locations around the OMEGA target chamber, record the neutron time-of-flight signal in the current mode. An evolutionary algorithm is being used to extract a model-independent energy spectrum of the scattered neutrons from the experimental neutron time-of-flight data and is used to infer the modal spatial variations (l = 1) in the areal density. Experimental observations of the low-mode variations of the cold-fuel assembly (ρL 0 + ρL 1 ) show good agreement with a recently developed model, indicating a departure from the spherical symmetry of the compressed DT fuel assembly. As a result, another key signature that has been observed in the presence of a low-mode variation is the broadening of the kinematic end-point due to the anisotropy of the dense fuel conditions.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Impact of ultrafast laser pulse repetition rate on filament acoustic and emission signatures

Femtosecond filaments formed at standoff distances can be used for interrogating various types of matter, making them of potential interest for remote sensing. However, the physical aspects of the filaments generated at standoff distances are influenced by various environmental and laser properties, including the repetition rate of the laser. In this study, we evaluate the role of the predecessor pulse on the properties of filaments by varying the repetition rate of the laser in the range of 10–1000 Hz and using acoustic and emission signatures to diagnose filament properties. Our results show that filaments are brighter at high repetition rates while they are elongated at low repetition rates. The repetition rate has minimal influence on the downstream edge of the filament generation, while the upstream edge becomes elongated. The shadowgram images showed that the turbulence generated by the predecessor pulse may influence the next pulse when the laser is operating at high repetition rates.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Application of molecular convergent close-coupling cross sections in a collisional radiative model for the triplet system of molecular hydrogen

Collisional radiative (CR) models for molecular hydrogen are of high relevance for performing qualitative and quantitative analysis of excited-state population densities measured in plasmas or predicting the dependence of plasma emission on parameter variations. Although the development of such models for H 2 started decades ago, major uncertainties still exist regarding the most important set of input parameters, namely the cross sections for electron-impact excitation. The deviations between cross sections from different datasets are particularly pronounced in the energy region close to the threshold energy, strongly increasing the uncertainty of CR models applied to low-temperature plasmas. This paper presents experimental validation of a set of newly calculated non ro-vibrationally resolved electron-impact cross sections calculated for the triplet system of H 2 using the molecular convergent close-coupling method in the adiabatic-nuclei formulation. These cross sections are implemented into a CR model based on the flexible solver Yacora. A first comparison of CR calculations with the different datasets to experimentally-determined population densities is performed at a planar ICP discharge for varying pressure (between 1 and 10 Pa) and RF power (between 700 and 1100 W). For the experimentally-accessible electron temperature and density range (2.5–10 eV and 1.8–3.3 × 10 16 m –3 , respectively), very good agreement between the model and experiment is obtained using the new data set, in contrast to previously used cross sections.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

A simple data-driven level finding method of many-electron atoms and heavy nuclei based on statistical outlier detection

Here, we report a simple and pure data-driven method to find new energy levels of quantum many-body systems only from observed line wavelengths. In our method, all the possible combinations are computed from known energy levels and wavelengths of unidentified lines. As each excited state exhibits many transition lines to different lower levels, the true levels should be reconstructed coincidentally from many level-line combinations, while the wrong combinations distribute randomly. Such a coincidence can be easily detected statistically. We demonstrate this statistical method by finding new levels for various atomic and nuclear systems from unidentified line lists available online.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗