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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 973 records · Page 54
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Investigation of Machinability of Additively Manufactured Ti-6Al-4V

Additively manufactured metals differ from their conventionally produced counterparts due to the inherent material inhomogeneity, porosity, and thermal stress induced by the process. These differences make the machining of additively manufactured metals more difficult and cause premature tool failure or unexpected surface finish at certain conditions. This study takes the first step to investigate and identify the causes of these issues, particularly for Ti-6Al-4V. Printed and wrought samples, as well as heat treatment effect, are compared in a dry cutting condition at a cutting speed of 90 m/min in terms of cutting power, vibration, temperature, and produced surface finish. The results show a lower cutting power and more vibration for as-printed Ti samples, indicating a less ductile microstructure and inclusion of pores. Heat treatment can eliminate these phenomena. There is no significant difference found in the produced surface finish at the current cutting condition.

Raval, Jay↗
DOE OSTI2024

Applications of LIF to Document Natural Variability of Chlorophyll Content and Cu Uptake in Moss

Chlorophyll has long been used as a natural indicator of plant health and photosynthetic efficiency. Laser-induced fluorescence (LIF) is an emerging technique for understanding broad spectrum organic processes and has more recently been used to monitor chlorophyll response in plants. Previous work has focused on developing a LIF technique for imaging moss mats to identify metal contamination with the current focus shifting toward application to moss fronds and aiding sample collection for chemical analysis. Two laser systems (CoCoBi a Nd:YGa pulsed laser system and Chl-SL with two blue continuous semiconductor diodes) were used to collect images of moss fronds exposed to increasing levels of Cu (1, 10, and 100 nmol/cm 2 ) using a CMOS camera. The best methods for the preprocessing of images were conducted before the analysis of fluorescence signatures were compared to a control. The Chl-SL system performed better than the CoCoBi, with dynamic time warping (DTW) proving the most effective for image analysis. Manual thresholding to remove lower decimal code values improved the data distributions and proved whether using one or two fronds in an image was more advantageous. A higher DTW difference from the control correlated to lower chlorophyll a/b ratios and a higher metal content, indicating that LIF, with the aid of image processing, can be an effective technique for identifying Cu contamination shortly after an event.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Delineating the Impact of Transition‐Metal Crossover on Solid‐Electrolyte Interphase Formation with Ion Mass Spectrometry

Abstract Lithium‐metal batteries (LMB) employing cobalt‐free layered‐oxide cathodes are a sustainable path forward to achieving high energy densities, but these cathodes exhibit substantial transition‐metal dissolution during high‐voltage cycling. While transition‐metal crossover is recognized to disrupt solid‐electrolyte interphase (SEI) formation on graphite anodes, experimental evidence is necessary to demonstrate this for lithium‐metal anodes. In this work, advanced high‐resolution 3D chemical analysis is conducted with time‐of‐flight secondary‐ion mass spectrometry (TOF‐SIMS) to establish spatial correlations between the transition metals and electrolyte decomposition products found on cycled lithium‐metal anodes. Insights into the localization of various chemistries linked to crucial processes that define LMB performance, such as lithium deposition, SEI growth, and transition‐metal deposition are deduced from a precise elemental and spatial analysis of the SEI. Heterogenous transition‐metal deposition is found to perpetuate both heterogeneous SEI growth and lithium deposition on lithium‐metal anodes. These correlations are confirmed across various lithium‐metal anodes that are cycled with different cobalt‐free cathodes and electrolytes. An advanced electrolyte that is stable to higher voltages is shown to minimize transition‐metal crossover and its effects on lithium‐metal anodes. Overall, these results highlight the importance of maintaining uniform SEI coverage on lithium‐metal anodes, which is disrupted by transition‐metal crossover during operation at high voltages.

Chemistry↗
DOE OSTI2020

Water adsorption on vanadium oxide thin films in ambient relative humidity

Here in this work, ambient pressure x-ray photoelectron spectroscopy (APXPS) is used to study the initial stages of water adsorption on vanadium oxide surfaces. V 2p, O 1s, C 1s, and valence band XPS spectra were collected as a function of relative humidity in a series of isotherm and isobar experiments. Experiments were carried out on two VO 2 thin films on TiO 2 (100) substrates, prepared with different surface cleaning procedures. Hydroxyl and molecular water surface species were identified, with up to 0.5 ML hydroxide present at the minimum relative humidity, and a consistent molecular water adsorption onset occurring around 0.01% relative humidity. The work function was found to increase with increasing relative humidity, suggesting that surface water and hydroxyl species are oriented with the hydrogen atoms directed away from the surface. Changes in the valence band were also observed as a function of relative humidity. The results were similar to those observed in APXPS experiments on other transition metal oxide surfaces, suggesting that H 2 O-OH and H 2 O-H 2 O surface complex formation plays an important role in the oxide wetting process and water dissociation. Compared to polycrystalline vanadium metal, these vanadium oxide films generate less hydroxide and appear to be more favorable for molecular water adsorption.

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

ExaCA v2.0: A versatile, scalable, and performance portable cellular automata application for additive manufacturing solidification

The previously established ExaCA software for performance portable alloy grain structure simulation has been updated to better represent the solidification behavior during complex alloy processing conditions, such as those encountered during metal additive manufacturing (AM), and for improved performance and scalability. Here, an extension to the time–temperature history input data format and the core ExaCA algorithm to include an arbitrary number of melting and solidification events yielded improved prediction of texture for various melt pool geometries, expanding the range of AM-relevant conditions that can be accurately simulated. Improved heat transport process simulation coupling, including the creation of large raster datasets from single track time–temperature history data and in-memory coupling with the new, performance portable finite difference code Finch, were also demonstrated in example studies on the effect of multilayer AM microstructure predictions on hatch spacing and cell size, respectively. Additional new features are detailed and demonstrated, including the ability to perform simulations using various interfacial response function forms, execute simulations on state-of-the-art hardware, improved usability through post-processing versatility, and improved strong and weak scaling performance. The performance, physics, and versatility improvements demonstrated here will further enable large-scale studies on AM process–microstructure relationships that were not previously possible. Furthermore, the usability improvements and ability to run coupled AM process–microstructure simulations using the Finch-ExaCA workflow will facilitate broader use of this open-source software by the computational materials community.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Continued Testing and Modeling of the AirSquared All-Metal Tritium Scroll Pump

The implementation of fusion energy requires the processing of the deuterium-tritium mixture used to fuel the reaction. Many gas processing operations require either a gas-motive force or a pressure gradient across a system; both are achieved using vacuum pumps. However, because of the material challenges of working with tritium, specialized pumps are required that use only metal on wetted surfaces. This prevents tritium retention and degradation of materials such as oils and polymers and reduces the generation of tritiated waste. Typical gas handling systems for tritium operations involve metal bellows pumps, all-metal scroll pumps, and metal turbomolecular pumps, depending on the pressure requirements. With the industry standard Normetex Type 15 m 3 /h (typically referred to as the Normetex 15) pump no longer available, the fusion market requires viable alternatives. In this study, we test an American-made pump, the AirSquared V16H034A-C01, and compare its performance to the Normetex. A performance model of the AirSquared pump is also produced, which can be applied to general process models to generate an accurate description of pressures and flows through various unit operations.

08 HYDROGEN↗
DOE OSTI2020

Constructing an Adaptive Heterojunction as a Highly Active Catalyst for the Oxygen Evolution Reaction

Electrochemical water splitting is of prime importance to green energy technology. Particularly, the reaction at the anode side, namely the oxygen evolution reaction (OER), requires a high overpotential associated with O—O bond formation, which dominates the energy-efficiency of the whole process. Activating the anionic redox chemistry of oxygen in metal oxides, which involves the formation of superoxo/peroxo-like (O 2 ) n – , commonly occurs in most highly active catalysts during the OER process. Here, a highly active catalyst is designed: electrochemically delithiated LiNiO 2 , which facilitates the formation of superoxo/peroxo-like (O 2 ) n – species, i.e., NiOO*, for enhancing OER activity. The OER-induced surface reconstruction builds an adaptive heterojunction, where NiOOH grows on delithiated LiNiO 2 (delithiated-LiNiO 2 /NiOOH). At this junction, the lithium vacancies within the delithiated LiNiO 2 optimize the electronic structure of the surface NiOOH to form stable NiOO* species, which enables better OER activity. This finding provides new insight for designing highly active catalysts with stable superoxo-like/peroxo-like (O 2 ) n – for water oxidation.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Electrostatic powder spreading for metal powder bed fusion applications

Typical powder bed fusion processes spread each layer of powder by pushing it across the build area with a spreader bar or roller. While simple, these methods require good flowing powder and do not have the ability to place more than one powder type per layer. This naturally limits the ability to incorporate more than one material onto each powder layer in powder bed additive manufacturing processes. Here we demonstrate electrostatic powder spreading, a method to deposit a powder layer without mechanical contact with the previous layers. Electrostatic powder spreading (ESPS) uses an electric field formed between a powder container and a counter electrode to move powder particles from the container to the powder bed. We show that the rate at which powder is deposited can be controlled by adjusting the strength of the electric field. Correspondingly, the deposited layer thickness is controlled by the strength of the electric field and the recoating speed. To demonstrate the feasibility of ESPS for laser powder bed fusion powder spreading, nearly fully dense (> 99.8%) coupons were built in a commercial L-PBF machine using the ESPS setup. Finally, we achieve 2D patterning of a single layer by using an array of electrodes and switching the applied electric field on and off. ESPS represents a method to produce an arbitrary patterned multi-material powder bed without complicated powder removal steps and easy implementation into existing L-PBF machines. Furthermore, ESPS presents an opportunity to build parts with 3D gradients in material properties.

36 MATERIALS SCIENCE↗
DOE OSTI2024

The Surface Chemistry of Methanol on Pd(111) and H–Pd(111) Surfaces: C–O Bond Cleavage and the Effects of Metal Hydride Formation

Palladium catalysts are frequently employed in processes where methanol is an energy vector or carrier, being useful for the synthesis of methanol from mixtures of carbon dioxide and hydrogen (CO 2 /H 2 ) or its steam reforming on demand. Results of synchrotron-based ambient pressure X-ray photoelectron spectroscopy for the adsorption of methanol on a Pd(111) model catalyst show a rich surface chemistry and complex phenomena that strongly depend on pressure and temperature. At low pressures (< 10 -6 Torr) and temperatures (< 300 K), CO is the dominant decomposition product. Further, as the pressure increases, cleavage of C-H, O-H and C-O bonds is observed, and at elevated temperatures (400-600 K) the formation of CO and CH x /C fragments compete on the surface. Thus, existing reaction networks for methanol decomposition must be modified. Furthermore, surface and subsurface hydrogen (coming from PdH x ) play a significant role in the stability and removal of CH x and C species.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

A Tunable Multivariate Metal–Organic Framework as a Platform for Designing Photocatalysts

Catalysts for photochemical reactions underlie many foundations in our lives, from natural light harvesting to modern energy storage and conversion, including processes such as water photolysis by TiO 2 . Recently, metal–organic frameworks (MOFs) have attracted large interest within the chemical research community, as their structural variety and tunability yield advantages in designing photocatalysts to address energy and environmental challenges. Here, we report a series of novel multivariate metal–organic frameworks (MTV-MOFs), denoted as MTV-MIL-100. They are constructed by linking aromatic carboxylates and AB 2 OX 3 bimetallic clusters, which have ordered atomic arrangements. Synthesized through a solvent-assisted approach, these ordered and multivariate metal clusters offer an opportunity to enhance and fine-tune the electronic structures of the crystalline materials. Moreover, mass transport is improved by taking advantage of the high porosity of the MOF structure. Combining these key advantages, MTV-MIL-100(Ti,Co) exhibits a high photoactivity with a turnover frequency of 113.7 mol H2 gcat. –1 min –1 , a quantum efficiency of 4.25%, and a space time yield of 4.96 × 10 –5 in the photocatalytic hydrolysis of ammonia borane. Bridging the fields of perovskites and MOFs, this work provides a novel platform for the design of highly active photocatalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Modifications to LEU-Modified Cintichem Process to Allow Processing of Fission-Produced 99 Mo from Up to 750 g of Irradiated Uranium Targets

Eden Radioisotopes, LLC is developing a TRIGA* -sized, 2 MW all-target reactor system licensed from Sandia National Laboratories. This all-target reactor uses up to 60 Argonne-designed annular LEU-foil targets to produce fission-produced 99 Mo. The Eden low-enriched uranium (LEU) target contains ~137 g of uranium and will be irradiated at up to 30 kW, with a target burnup determined by the number of targets processed each week. The annular target utilizes metallic uranium foils 400 mm long by 72 mm wide by 250±25 -µm-thick covered by a thin (10 µm on each face) nickel fission barrier. The foil is placed between two 35 mil aluminum tubes that form the outer and inner walls of the cladding cylinder, which is hydroformed to provide high thermal conductivity within the target. Eden expects to process between three and five targets per process batch, to maintain the process batch 99 Mo inventory at or below 5000 curies to maintain high 99 Mo recovery, within a few hours of discharge from the reactor. Eden expects to meet full U.S. demand by processing 30 targets per week, with each target operated for two weeks at 30 kW. To meet less than full U.S. demand, both the target power and the number of targets processed weekly will be adjusted. With increased 99 Mo production and given the size of U targets processed in a single batch (up to ~750g-U), it is important to identify whether any modifications are needed to the LEU-modified Cintichem process.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Production of 1,3-Butadiene from Renewable Oxygenated Feedstocks (Abstract)

Reproduce and ascertain additional experimental catalyst performance data for 1-step conversion of oxygenated feedstocks to butadiene. Experimental data will also be obtained for a 2-step processing configuration where we will tailor the PNNL catalyst originally developed for 1-step processing by tailoring the Lewis acidity and metal properties, with a limited number of experiments. We will measure preliminary catalyst performance results for producing Butadiene from the two oxygenated feedstocks. Additionally, we will produce 30 g of butadiene that will be sent to the client for use in producing polybutadiene. Finally, experimental results will inform techno-economic analysis (TEA) modeling. TEA will focus on identifying the most economically favorable processing route to BD from either oxygenated feedstock. We will also project GHG emissions associated with each of the process models being considered for BD production, and compare such results to GHG emissions when produced from conventional methods (e.g., cracking of naphtha) using values from the literature.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Energy Efficiency Improvement Approaches in Ice Related Processes

A detailed survey of ice mold and evaporator metal surfaces, physical structures, operational conditions, materials of construction, design of different equipment was reviewed and analyzed. A reliable test methodology was developed to measure the ice adhesion strength of different materials and geometries identified. The developed test setup was successfully employed in measuring the ice adhesion strength on both tubular and planar substrate geometries of metals including copper, aluminum, stainless steel. Application of advanced polymer materials in lowering the adhesion strength of ice was confirmed where the measured strength was lowered by 50-70% depending on the material and geometry. Additionally, utilization of induced ultrasonic vibration in further lowering the ice harvesting energy was confirmed on multiple materials and geometries. Durability of the coating enhancement was also confirmed in a thermal cycling test under realistic operating conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Automated qualification data tool for high temperature metallic materials

This report describes a framework for storing, processing, and displaying qualification data for high temperature mechanical properties. The framework automates the process of generating design data from mechanical test results, for example for a data qualification report for the ASME Boiler \& Pressure Vessel Code. The framework has three parts: a data storage model with common formats for several types of typical mechanical property tests, a backend based on the \pycreep Python library for correlating and extrapolating the data to generate design material properties and allowable stresses, and a demonstration user interface for displaying, sorting, and filtering the data and exploring different options for modeling the design mechanical properties. The report discusses the options available for data processing, with illustrations from real test data on Alloy 617, Alloy 709, Alloy 740H, and Laser-Powder Bed Fusion 316H. The framework is complete for ASME type data analysis and will be used to store test data generated by the Department of Energy, Office of Nuclear Energy, Advanced Materials and Manufacturing Technologies sponsored qualification programs. Future work could extend the tool to other types of material properties and/or expand the demo user interface to make it accessible across the AMMT program.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Battery materials scale-up and processes

A cathode active material precursor for a lithium metal oxide is provided. The cathode active material precursor comprises a metal-containing oxyhydroxide. The metal-containing oxyhydroxide comprises nickel and an additional metal. At least 50 mol. % of the nickel of the metal-containing oxyhydroxide has an oxidation state of +3. A method of forming a cathode active material precursor is also provided. The method comprises combining a nickel-containing compound, an additional metal-containing compound, an oxidizing agent, and a solvent to form a solution. The method further comprises exposing the solution to heat at a temperature of from about 30° C. to about 90° C. to form a precipitate comprising the metal-containing oxyhydroxide.

Belharouak, Ilias↗
DOE OSTI2022

High-Silicon Steel Strip by Single-Step Shear Deformation Processing

It is well known that Fe-Si alloys with Si content higher than in conventional electrical sheet steels (>3.2% Si) can make a significant impact in improving the efficiency of electrical motors if they are available in sheet/foil (strip) forms at suitable cost. While the magnetic and electrical attributes (e.g., resistivity, core loss) of these high-Si Fe alloys, of relevance to electrical motor core laminations, are known to be exceptional, the alloys have limited workability, making them difficult to produce consistently in sheet/foil (strip) forms. Current processing techniques such as rolling, while adequate for producing conventional electrical steel sheet, do have important disadvantages - large energy consumption and emissions, limitations in processing of low-workability alloys (e.g., high-Si content steels), large-scale plant infrastructure, and less than adequate capability to engineer sheet metals with specific microstructures (e.g., fine-grained) and crystallographic textures (e.g., shear textures). It is therefore of interest to have an alternative commercial process that can produce sheet/foil (strip) from high-Si Fe alloys and which can also overcome some of the deficiencies of current multistage strip processes. The goal of the present project was design and demonstration of a new energy-efficient pilot process for producing high-Si electrical steel strip of commercial widths and thickness, and with superior electrical and magnetic properties than current electrical steels (Fe-3.2% Si as benchmark). The applications domain for these steels is electrical motor core laminations. We have addressed this goal by accomplishment of the following specific objectives and tasks: a) Development of an Fe-4Si-4Cr alloy with electrical resistivity >80 μΩ-cm, induction flux density >1.48 T at 5000 A/m and core loss 35% lower than the benchmark 3.2% Si alloy. The alloy which meets DOE target specifications for motor core attributes was designed with the Si content controlled for the electrical properties and the Cr content tailored to meet material/process workability requirements. b) A unique machining-based deformation processing system was designed and scaled-up to produce strip of commercial width (25 mm to 150 mm) and thickness (up to 0.5 mm) from the Fe-4Si-4Cr alloy and other alloys of varied workability including copper, Al6061-T6 and naval brass. The key attributes of the machining-based strip production are deformation processing by concentrated simple-shear; single-step production of strip from ingot using compact machine infrastructure; strip surface finish of Ra 0.35 to 1 micrometer that is comparable/superior to that of rolled strip; discrete production of strip that can potentially be done at point of use; and controllability of strip mechanical/formability properties by deformation control. c) The electrical, magnetic, surface quality, mechanical, formability, and metallurgical properties/attributes of the machining-based strip were established by direct ASTM standard or equivalent measurement techniques. d) Punching characteristics of the strip in terms of load, edge quality and macro defects were similar to those of conventional 3.2% Si electrical steels. These punching characteristics are critical from a manufacturability perspective for motor/transformer core applications. e) A modeling framework for energy analysis of multistage rolling and the machining-based deformation processing has been established. Application of this modeling to the two strip-processes showed that the machining-based process requires significantly lower specific energy for processing, ~ 25% of that for rolling. The modeling framework can be adapted for a range of sheet-metal forming, bulk metal forming, and machining processes. It can be used to identify key parameters controlling process specific energy. f) A comparative analysis of advantages and disadvantages of machining-based processing against rolling for strip production. The single stage machining-based processing, with compact infrastructure, represents a new manufacturing paradigm for sheet and foil manufacturing that can potentially also be applied to advanced titanium, aluminum, copper and magnesium alloys. The goals and objectives were accomplished by a cross-disciplinary project team comprising of personnel from Purdue University; M4 Sciences LLC, a small-business focused on advanced manufacturing technology development; the Pacific Northwest National Labs; and tool manufacturers. The team is currently in advanced discussions with multiple entities for future process development for commercialization.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Metal fluxes at the sediment–water interface in a free water surface constructed wetland

Metal biogeochemistry in the sediment, water, and the sediment–water interface (SWI) was studied in a free water surface constructed wetland. Concentrations of labile copper (Cu), zinc (Zn), sulfate, chloride, and dissolved organic carbon (DOC) were measured with the diffusive gradients in thin film (DGT) and peeper. A good agreement between peeper- and DGT-measured metals was observed for Cu (regression r 2 = 0.3, 95% CI of the slopes > 0), but not for Zn (95% CI of the slopes overlapped with 0), which was attributed to the different complexed compounds between Cu and Zn in porewater. The depth profile of labile metals in sediment porewater varied with time and was consistent with the solid-phase metal deposition, showing higher concentrations in the surface layer (3 to –3 cm) than in the bottom layer (–4 to –13 cm). The depth-averaged labile Cu and Zn concentrations measured by DGT were 1.0 and 3.1 µg/L, and labile sulfate, chloride, and DOC concentrations measured by peeper were 1.8, 3.6, and 2.1 mg/L, respectively. A sharp decrease in sulfate occurred in September when sulfate concentrations became the lowest among sampling months. This was caused by the seasonal sulfur cycles in the wetland, where the dominant sulfur reaction is sulfate reduction in warm seasons and sulfide oxidation in cold seasons. Different metal-removal mechanisms were observed in the two wetland cells; sulfur dynamics controlled the removal processes in the cell without frequent disturbance but failed to influence metal removal in the cell with frequent disturbance due to the interruption of anoxic layers. The flux ratios that compare labile element concentrations between the water column and the SWI (R-Cu, R-Zn, R-DOC, R-sulfate, and R-chloride) were generated to determine metal diffusive fluxes at the interface. Labile Zn was mostly transported from the water to the SWI during all seasons (R-Zn < 1 for all months except January). Labile Cu moved from the SWI to the water during the warm months (R-Cu < 1), which was explained by the bioturbation-induced transport of organic matter based on the positive correlations between R-Cu and R-DOC. In general, sediment can serve either as a sink or a source depending on the environmental conditions, metal speciation, and presence of living organisms. Here, metal flux at the SWI is a key component in the biogeochemical cycling of a constructed wetland.

54 ENVIRONMENTAL SCIENCES↗