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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 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Characterization data of an (AlFeNiTiVZr) 1-x Cr x multi-principal element alloy continuous composition spread library

The data provided in this article is related to the research article entitled “Phase stabilization and oxidation of a continuous composition spread multi-principal element (AlFeNiTiVZr) 1-x Cr x alloy”. This data article describes the high-throughput synthesis and characterization processes of an (AlFeNiTiVZr) 1-x Cr x alloy system. Continuous composition spread (CCS) thin-film libraries were synthesized by co-depositing an AlFeNiTiVZr metal alloy target and Cr target via magnetron sputtering. Post-processing was performed on the sample libraries with a vacuum anneal at 873 K and an air anneal at 873 K. Compositional data was determined via WDS in order to verify parameters provided by an in-house sputter model. Crystallographic data was captured via synchrotron diffraction and diffractograms were compared as a function of the change in Cr concentration. These measurements were taken in order to observe phase behavior after oxidation throughout the composition library. Furthermore, vibrational spectrographic data is provided of the oxidized library to show surface speciation along the composition gradient of the alloy system. The structural and oxidative behavior of the (AlFeNiTiVZr) 1-x Cr x alloy can be analysed using the data provided in this article. Additionally, this characterization dataset can be utilized in machine learning algorithms for determining important features and parameters for future hypothesis generation of functional multi-principal element alloys (MPEAs).

36 MATERIALS SCIENCE↗
DOE OSTI2025

Explainable artificial intelligence relates perovskite luminescence images to current-voltage metrics

As the demand for low-cost, high-efficiency solar energy technologies grows, metal halide perovskite (MHP) solar cells have emerged as a promising candidate for next-generation photovoltaics due to their high power conversion efficiencies. However, their poor durability and issues with manufacturing consistency remain significant barriers to commercialization. In this work, we develop deep learning models to support materials characterization and provide insight into features and processes influencing performance. The models are trained using transfer learning of a pretrained model to predict relevant current-voltage (IV) metrics based on different combinations of input electroluminescence (EL) and photoluminescence (PL) images of MHP devices. We examine which image types are most informative in accurately predicting different IV metrics. Additionally, we use explainable artificial intelligence (XAI) techniques to provide insights into specific spatial features in the devices that drive differences in performance. We find that stabilized luminescence images (e.g. those collected after biasing the devices for at least 1 min) are better for predicting metrics of open-circuit voltage (by PL) and short-circuit current (by PL with EL), but that predicting fill factor and overall power output may use the time-evolution of EL images. Based on attribution masks generated by integrated gradients for each device performance metric, we further suggest different loss mechanisms associated with categories of large and small spatial defects. Overall, this case study highlights the potential applicability of XAI methodology for streamlining MHP device analysis and accelerating detailed understanding of the relationships between spatial defects and impacts on performance.

14 SOLAR ENERGY↗
DOE OSTI2021

Pilot scale testing of an advanced solvent in a 0.7 MWe post-combustion CO 2 capture unit

An advanced Amine Promoted Buffer Solution (APBS), APBS-CDRMax® (CDRMax), developed by Carbon Clean Solutions Limited (CCSL), was tested at the 0.7 MWe CO 2 capture facility at Kentucky Utilities E.W. Brown Generation Station using a heat-integrated two-staged stripping CO 2 capture process. The performance of the solvent was evaluated to determine operating conditions that maximized the cyclic capacity of the solvent and results in energy savings. The regeneration energy ranged from 2.9 to 3.3 GJ/ton CO 2 with 14 vol % (dry) CO 2 inlet and approximately 90 % capture. The difference in the reboiler specific heat duty at stripper pressures of 1.7 and 2.1 bar was minimal as similar amounts of water vapor were observed in the CO 2 product stream at stripper outlet. Recycling of product CO 2 increased the inlet CO 2 concentration to the absorber from 14 to 16 vol% which enhanced mass transfer from the gas to the solvent resulting in about 5 % reduction in the energy of regeneration at the lower stripper pressure. The solvent circulation rate was reduced by about 30 % relative to previous 30 wt% MEA campaign for the CO 2 target capture of 90 %. Finally, the reduced solvent make-up rate of CDRMax shows promise for capital and operating cost savings for post-combustion CO 2 capture.

42 ENGINEERING↗
DOE OSTI2022

Hot-melt extrudability of amorphous solid dispersions of flubendazole-copovidone: An exploratory study of the effect of drug loading and the balance of adjuvants on extrudability and dissolution

The FDA-approved anthelmintic flubendazole has shown potential to be repositioned to treat cancer and dry macular degeneration; however, its poor water solubility limits its use. Amorphous solid dispersions may overcome this challenge, but the balance of excipients may impact the preparation method and drug release. Here, we evaluate the influence of adjuvants and drug loading on the development of an amorphous solid dispersion of flubendazole-copovidone by hot-melt extrusion. The drug, copovidone, and adjuvants (magnesium stearate and hydroxypropyl cellulose) mixtures were statistically designed, and the process was performed in a twin-screw extruder. The study showed that flubendazole and copovidone mixtures were highly extrudable, except when drug loading was high (>40%). Furthermore, magnesium stearate positively impacted the extrusion and was more effective than hydroxypropyl cellulose. The extruded materials were evaluated by modulated differential scanning calorimetry and X-ray powder diffraction, obtaining positive amorphization and physical stability results. Pair distribution function analysis indicated the presence of drug rich domains with medium-range order structure and no evidence of polymer-drug interaction. All extrudates presented faster dissolution (HCl, pH 1.2) than pure flubendazole, and both adjuvants had a notable influence on the dissolution rate. In conclusion, hot-melt extrusion may be a viable option to obtain stable flubendazole: copovidone amorphous dispersions.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

Microstructural Injury to Corpus Callosum and Intrahemispheric White Matter Tracts Correlate With Attention and Processing Speed Decline After Brain Radiation

The corpus callosum (CC) and intrahemispheric white matter tracts (IHWM) subserve critical aspects of attention and processing speed. We analyzed imaging biomarkers of microstructural injury within these regions and association with attention and processing speed performance before and after radiation therapy in primary brain tumor patients.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2022

Corrosion-resistant polyurethane coatings from structure-homogenized biorefinery lignin through fractionation and oxypropylation

Using lignin for polyurethane (PU) synthesis is challenging because of its heterogeneous structure, i.e., broad molecule weight (MW) distribution and diverse hydroxyl (OH) functionality. This complexity influences the crosslinking reaction between lignin and isocyanate and affects the quality of PU products. Here, we propose a two-step strategy for lignin structure homogenization by lowering its MW and uniforming OH functionality (step 2). Step 1 involves a bioethanol fractionation process, yielding fractionated lignin with one order lower MW than the raw lignin while exhibiting better processability for the subsequent process. Step 2 is performed by an oxyalkylation process using fractionated lignin that converts phenolic and carboxylic OHs to aliphatic OHs. As a result, we obtained structure-homogenized lignin with good compatibility and crosslinking with hexamethylene diisocyanate for PU coating synthesis. Moreover, PU coatings prepared from structure-homogenized lignin display a defect-free microscopic structure and show better corrosion resistance than coatings fabricated from its raw lignin alternative. Overall, the structure homogenization process is a beneficial way of using lignin as biopolyol in PU synthesis toward the application-oriented design of corrosion-resistant lignin-based PU coatings.

36 MATERIALS SCIENCE↗
DOE OSTI2023

The effect of ink ball milling time on interparticle interactions and ink microstructure and their influence on crack formation in rod-coated catalyst layers

This work investigates the influence of ballmilling (sometimes also referred to as jar roller milling) time on cathode catalyst layer (CL) inks and electrode properties using formulations and coating methods relevant for industrial manufacturing. Four CL inks with the same composition were milled for 24, 48, 72, or 96 h. Rheological investigation of these inks showed a reduction of elastic moduli and steady-shear viscosity with continuous ink milling, which is correlated to a decrease in particle-particle interactions as well as formation of smaller agglomerates. Optical microscopy (OM) analysis of the fabricated electrodes revealed a trend in surface crack formation; formulations milled for 24 h contained the lowest average surface crack area percentages of 0.370% at heavy-duty loadings of ~0.300 mg Pt cm -2 , compared to 2.418% for the ink milled for 96 h. Further characterization of the CL through transmission electron microscopy (TEM) imaging showed a decrease in the mean agglomerate and pore size with milling time. Furthermore, these smaller electrode features were consistent with reduced fracture resistance and, hence, development of larger stresses during drying. Our results highlight the need to consider ink processing as an important component in defect-free CL manufacturing.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2016

Improved instrumentation for intensity-, wavelength-, temperature-, and magnetic field-resolved photoconductivity spectroscopy

We report instrumentation for photovoltage and photocurrent spectroscopy over a larger continuous range of wavelengths, temperatures, and applied magnetic fields than other instruments described in the literature: 350 nm≤λ≤1700 nm, 1.8 K≤T≤300 K, and B≤9 T. This instrument uses a modulated monochromated incoherent light source with total power<30 μW in combination with an LED in order to probe selected regions of non-linear responses while maintaining low temperatures and avoiding thermal artifacts. The instrument may also be used to measure a related property, the photomagnetoresistance. We demonstrate the importance of normalizing measured responses for variations in light power and describe a rigorous process for performing these normalizations. We discuss several circuits suited to measuring different types of samples and provide analysis for converting measured values into physically relevant properties. Uniform approaches to measurement of these photoproperties are essential for reliable quantitative comparisons between emerging new materials with energy applications. - Highlights: • A novel instrument for measuring photoconductivity and photocurrents of materials and devices. • Continuous parameter space: 350 nm≤λ≤1700, 1.8 K≤T≤300 K, and B≤9 T. • Methodology for treating non-linear responses and variable lamp intensity. • Mathematical detail for extracting properties of materials from measured values is provided.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Analysis of gas jetting and fumarole acoustics at Aso Volcano, Japan

The gas-thrust region of a large volcanic eruption column is predominately a momentum-driven, fluid flow process that perturbs the atmosphere and produces sound akin to noise from jet and rocket engines, termed “jet noise”. In this paper, we aim to enhance understanding of large-scale volcanic jets by studying an accessible, less hazardous fumarolic jet. We characterize the acoustic signature of ~ 2.5-meter wide vigorously jetting fumarole at Aso Volcano, Japan using a 5-element infrasound array located on the nearby crater. The fumarole opened on 13 July 2015 on the southwest flank of the partially collapsed pyroclastic cone within Aso Volcano's Naka-dake crater and had persistent gas jetting, which produced significant audible jet noise. The array was ~ 220 m from the fumarole and 57.6° from the vertical jet axis, a recording angle not typically feasible in volcanic environments. Array processing is performed to distinguish fumarolic jet noise from wind. Highly correlated periods are characterized by sustained, low-amplitude signal with a 7–10 Hz spectral peak. Finite difference time domain method numerical modeling suggests the influence of topography near the vent and along the propagation path significantly affects the spectral content, complicating comparisons with laboratory jet noise. The fumarolic jet has a low estimated Mach number (0.3 to 0.4) and measured temperature of ~ 260 °C. The Strouhal number for infrasound from volcanic jet flows and geysers is not known; thus we assume a peak Strouhal number of 0.19 based on pure-air laboratory jet experiments. This assumption leads to an estimated exit velocity of the fumarole of ~ 79 to 132 m/s. Finally, using published gas composition data from 2003 to 2009, the fumarolic vent area estimated from thermal infrared images, and estimated jet velocity, we estimate total volatile flux at ~ 160–270 kg/s (14,000–23,000 t/d).

58 GEOSCIENCES↗
DOE OSTI2013

Optimization of chemical compositions in low-carbon Al-killed enamel steel produced by ultra-fast continuous annealing

The influence of Mn,S and B contents on microstructural characteristics, mechanical properties and hydrogen trapping ability of low-carbon Al-killed enamel steel was investigated. The materials were produced and processed in a laboratory and the ultra-fast continuous annealing processing was performed using a continuous annealing simulator. It was found that increasing Mn,S contents in steel can improve its hydrogen trapping ability which is attributed by refined ferrite grains, more dispersed cementite and added MnS inclusions. Nevertheless, it deteriorates mechanical properties of steel sheet. Addition of trace boron results in both good mechanical properties and significantly improved hydrogen trapping ability. The boron combined with nitrogen segregating at grain boundaries, cementite and MnS inclusions, provides higher amount of attractive hydrogen trapping sites and raises the activation energy for hydrogen desorption from them. - Highlights: • We study microstructures and properties in low-carbon Al-killed enamel steel. • Hydrogen diffusion coefficients are measured to reflect fish-scale resistance. • Manganese improves hydrogen trapping ability but decrease deep-drawing ability. • Boron improves both hydrogen trapping ability and deep-drawing ability. • Both excellent mechanical properties and fish-scale resistance can be matched.

36 MATERIALS SCIENCE↗
DOE OSTI2013

High coercivity sized controlled cobalt–gold core–shell nano-crystals prepared by reverse microemulsion

Graphical abstract: - Highlights: • Calculating the crystallinity percentage and percentage of phases presented in Co–Au core–shell nanoparticles. • Magnetic properties of four groups nanogarin: 5, 10, 15, 20 nm. • Single domain ferromagnetic materials with high coercivity at room temperature. • Intrinsic blocking temperature measured in zero field cooled-warmed (ZFC-W). - Abstract: Size-controlled cobalt–gold core–shell nanoparticles were synthesized via the reverse-micelle microemulsion method. In order to control the size of the nanoparticles, the nucleation and growth process were performed within a confined space by adjusting the water to surfactant ratio of reverse micelles solution during synthesis. The crystallinity percentage and percentage of phases presented in Co–Au core–shell nanoparticles were calculated using X-ray diffraction data. The results from transmission electron microscopy provide direct evidence for core–shell structure nanomaterials. Magnetic properties of the samples were investigated using a vibrating sample magnetometer. The as-prepared samples showed significant coercivity at room temperature. The intrinsic blocking temperature was experimentally deduced from zero-field-cooled warmed (ZFC-W) curves by a simple method without employing an external magnetic field. The B-field dependence temperature data of Co–Au nanoparticles exhibited an intrinsic blocking temperature at 45 K. Annealing these samples at 400 °C caused an increase in particle size, crystallinity percentage and further enhanced their magnetic properties.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Solid-state synthesis of Li{sub 4}Ti{sub 5}O{sub 12} whiskers from TiO{sub 2}-B

Highlights: • The Li{sub 4}Ti{sub 5}O{sub 12} whiskers were synthesized from TiO{sub 2}-B whiskers via a solid state reaction. • The TiO{sub 2}-B crystal structure for lithium diffusion is easier than anatase. • The separated diffusion and reaction process is crucial for the solid-state syntheses of Li{sub 4}Ti{sub 5}O{sub 12} whiskers. - Abstract: In this work, Li{sub 4}Ti{sub 5}O{sub 12} (LTO) was synthesized from the precursors of TiO{sub 2}-B and anatase whiskers, respectively. The synthesized LTO whiskers from TiO{sub 2}-B whiskers via a solid state reaction at 650 °C have a high degree of crystallinity with an average diameter of 300 nm. However, when anatase whiskers were used as the precursor, only particle morphology LTO was produced at 750 °C. The further analysis of the precursors, the intermediate products and the final products reveal that the crystal structure of the anatase hinders the diffusion of lithium, leading to a typical reaction–diffusion process. Under this condition, only particle morphology LTO can be produced. However, the crystal structure of the TiO{sub 2}-B is easy for lithium diffusion and the process is performed in two separated steps (i.e., diffusion and reaction), which makes it possible to decrease the solid-state reaction temperature down to 650 °C and then maintain the morphologies of whiskers.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Graphene addition to MgB{sub 2} superconductor obtained by ex-situ spark plasma sintering technique

Highlights: • Graphene-added dense MgB{sub 2} was prepared by ex-situ spark plasma sintering. • There is a limited interaction between graphene and MgB{sub 2}. • Addition of graphene (G) shows a small enhancement of J{sub c} and μ{sub 0}H{sub irr}. • G is one of the least effective C-containing additions. - Abstract: Graphene nanopowder (G) with average thickness particle size of about 6–8 nm was added to MgB{sub 2} commercial powder. Starting composition was (MgB{sub 2}){sub (1−x)}(G){sub x}, x = 0.0125, 0.025, 0.05. Processing was performed by Spark Plasma Sintering (SPS) technique. All added samples have high density (above 95%). The critical temperature (T{sub c}) and the lattice parameter a (c-axis lattice parameter is constant) show a small variation suggesting that carbon substitution for boron is low. TEM observations show the presence of un-reacted graphene plates supporting the T{sub c} and structural results. It also indicates that G-addition does not modify the MgB{sub 2} microstructure. Despite this, there is an optimum doped sample (MgB{sub 2}){sub 0.9875}(G){sub 0.0125} for which the critical current density at temperatures below 25 K is slightly higher at high magnetic fields than for the pristine sample. The addition of G is found as one of the least effective C-source additions enhancing J{sub c}. We discuss results as being strongly related to variation of the residual stress.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Li-ion battery design through microstructural optimization using generative AI

Lithium-ion batteries are used across various applications, necessitating tailored cell designs to enhance performance. Optimizing electrode manufacturing parameters is a key route to achieving this, as these parameters directly influence the microstructure and performance of the cells. However, linking process parameters to performance is complex, and experimental or modeling campaigns are often slow and expensive. This study introduces a fast computational optimization framework for electrode manufacturing parameters. A generative model, trained on a small dataset of microstructural images associated with different manufacturing parameters, efficiently generates representative microstructures for new parameters. This model is integrated into a Bayesian optimization loop that includes microstructure generation, characterization, and simulation, aiming to find optimal manufacturing parameters for a particular application. Significant improvement in the energy density of a 4680 cell is achieved through bespoke cell design, highlighting the importance of cell-scale normalization. The framework’s modularity allows its application to various advanced materials manufacturing scenarios.

batteries↗
DOE OSTI2014

The iQID Camera: An Ionizing-Radiation Quantum Imaging Detector

We have developed and tested a novel, ionizing-radiation Quantum Imaging Detector (iQID). This scintillation-based detector was originally developed as a high-resolution gamma-ray imager, called BazookaSPECT, for use in single-photon emission computed tomography (SPECT). Recently, we have investigated the detectors response and imaging potential with other forms of ionizing radiation including alpha, neutron, beta, and fission fragment particles. The detector’s response to a broad range of ionizing radiation has prompted its new title. The principle operation of the iQID camera involves coupling a scintillator to an image intensifier. The scintillation light generated particle interactions is optically amplified by the intensifier and then re-imaged onto a CCD/CMOS camera sensor. The intensifier provides sufficient optical gain that practically any CCD/CMOS camera can be used to image ionizing radiation. Individual particles are identified and their spatial position (to sub-pixel accuracy) and energy are estimated on an event-by-event basis in real time using image analysis algorithms on high-performance graphics processing hardware. Distinguishing features of the iQID camera include portability, large active areas, high sensitivity, and high spatial resolution (tens of microns). Although modest, iQID has energy resolution that is sufficient to discrimate between particles. Additionally, spatial features of individual events can be used for particle discrimination. An important iQID imaging application that has recently been developed is single-particle, real-time digital autoradiography. In conclusion, we present the latest results and discuss potential applications.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Reconstruction of fast neutron direction in segmented organic detectors using deep learning

A method for reconstructing the direction of a fast neutron source using a segmented organic scintillator-based detector and deep learning model is proposed and analyzed. Here, the model is based on recurrent neural network, which can be trained by a sequence of data obtained from an event recorded in the detector and suitably pre-processed. The performance of deep learning-based model is compared with the conventional double-scatter detection algorithm in reconstructing the direction of a fast neutron source. With the deep learning model, the uncertainty in source direction of 0.301 rad is achieved with 100 neutron detection events in a segmented cubic organic scintillator detector with a side length of 46 mm. To reconstruct the source direction with the same angular resolution as the double-scatter algorithm, the deep learning method requires 75% fewer events. Application of this method could augment the operation of segmented detectors operated in the neutron scatter camera configuration for applications such as special nuclear material detection.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Mineral nutrient signaling controls photosynthesis: focus on iron deficiency-induced chlorosis

Photosynthetic organisms convert light energy into chemical energy stored in carbohydrates. To perform this process, an adequate supply of essential mineral elements, such as iron, is required in the chloroplast. Because iron plays a crucial role during electron transport and chlorophyll formation, iron deficiency alters photosynthesis and promotes chlorosis, or the yellowing of leaves. Intriguingly, iron deficiency-induced chlorosis can be reverted by the depletion of other micronutrients [i.e., manganese (Mn)] or macronutrients [i.e., sulfur (S) or phosphorus (P)], raising the question of how plants integrate nutrient status to control photosynthesis. Here, in this work, we review how improving our understanding of the complex relationship between nutrient homeostasis and photosynthesis has great potential for crop improvement.

59 BASIC BIOLOGICAL SCIENCES↗