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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Molecular‐Level Insight into the Chlorofluorocarbons Adsorption by Defective Covalent Organic Polymers

Abstract Halocarbons have important industrial applications, but because of their contribution to global warming and the fact that they can cause ozone depletion, they are considered highly toxic. Hence, the techniques that can capture and recover the used halocarbons with energy‐efficient methods have been recently received greater attention. In this contribution, we report the capture of dichlorodifluoromethane (R12), which has high global warming and ozone depletion potential, using covalent organic polymers (COPs). The defect‐engineered COPs were synthesized and demonstrated outstanding sorption capacities, ~226 wt % of R12 combined with linear‐shaped adsorption isotherms. We further identified the plausible microscopic adsorption mechanism of the investigated COPs via grand canonical Monte Carlo simulations applied to non‐defective and a collection of atomistic models of the defective COPs. The modeling work suggests that significant R12 adsorption performance is attributed to a gradual increment of porosities due to isolated/interconnected micro‐/meso‐pore channels and the change of the long‐range ordering of both COPs. The successive hierarchical‐pore‐filling mechanism promotes R12 molecular adsorption via moderate van der Waals adsorbate‐adsorbent interactions in the micropores of both COPs at low pressure followed by adsorbate‐adsorbate interactions in the extra‐voids created at moderate to high pressure ranges. This continuous pore‐filling mechanism makes defective COPs as promising sorbents for halocarbon adsorption.

Shen, Jian↗
DOE OSTI2024

A New Triketone Ligand for Extraction of Lithium from Brines**

Recovery of lithium from brines by liquid-liquid solvent extraction (LLE) with diketones and synergistic co-ligands has been investigated for decades, but industrial application has been limited. In pursuit of a ligand with improved properties, a series of ketonamides with beta-carbonyl groups were designed, synthesized, and tested in extraction of lithium from sulfate and carbonate simulants of clay mineral tailing leachates. The best performing ligand, a novel tricarbonyl amide, was characterized for lithium extraction with and without four synergistic co-ligands. Further, the tricarbonyl amide combined with the synergistic co-ligand Cyanex-923 was absorbed on a resin support. The ligand-modified resin was tested for performance in extraction of dilute brine simulants and up to 60 % recovery of lithium was achieved.

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

An insight into microscopy and analytical techniques for morphological, structural, chemical, and thermal characterization of cellulose

Cellulose obtained from plants is a bio-polysaccharide and the most abundant organic polymer on earth that has immense household and industrial applications. Hence, the characterization of cellulose is important for determining its appropriate applications. In this article, we review the characterization of cellulose morphology, surface topography using microscopic techniques including optical microscopy, transmission electron microscopy, scanning electron microscopy, and atomic force microscopy. Additionally, other physicochemical characteristics like crystallinity, chemical composition, and thermal properties are studied using techniques including X-ray diffraction, Fourier transform infrared, Raman spectroscopy, nuclear magnetic resonance, differential scanning calorimetry, and thermogravimetric analysis. This review may contribute to the development of using cellulose as a low-cost raw material with anticipated physicochemical properties.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Local Structure Analysis and Modelling of Lignin‐Based Carbon Composites through the Hierarchical Decomposition of the Radial Distribution Function

Abstract Carbonized lignin has been proposed as a sustainable and domestic source of activated, amorphous, graphitic, and nanostructured carbon for many industrial applications as the structure can be tuned through processing conditions. However, the inherent variability of lignin and its complex physicochemical structure resulting from feedstock and pulping selection make the Process‐Structure‐Property‐Performance (PSPP) relationships hard to define. In this work, radial distribution functions (RDFs) from synchrotron X‐ray and neutron scattering of lignin‐based carbon composites (LBCCs) are investigated using the Hierarchical Decomposition of the Radial Distribution Function (HDRDF) modelling method to characterize the local atomic environment and develop quantitative PSPP relationships. PSPP relationships for LBCCs defined by this work include crystallite size dependence on lignin feedstock as well as increasing crystalline volume fraction, nanoscale composite density, and crystallite size with increasing reduction temperature.

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

Impact of carbamate formation on the surface tension of epoxy‐amine curing systems

Abstract Epoxy‐amine reactive systems, including their surface tension, have been studied due to their use and importance in composites and adhesives in laboratory and industrial applications. Understanding how the system's surface tension changes during curing could help target applications for tailored composites. Using the Wilhelmy plate method, surface tensions for epoxy‐curing agent systems were investigated under different environments. While the epoxy exhibited an expected negative temperature coefficient of −0.096 mN/m/°C, the curing agent exhibited a positive temperature coefficient of 0.073 mN/m/°C, which is due to the curing agent reacting with atmospheric CO 2 to form carbamate through a zwitterion pathway and functional groups accumulating at the surface of the reacting systems. Carbamate formation results in a surface tension below that of the individual constituents in the epoxy‐amine curing agent system. Fourier transform infrared (FTIR) spectroscopy was used to verify in situ formation of carbamate, and by reducing the system's temperature, it was demonstrated that the system surface tension profiles displayed micellar surfactant‐like characteristics. FTIR was used to explore the difference in composition between the surface and the bulk, in particular carbamate formation at the surface, resulting in a lowering of the surface tension of reacting systems.

Shenk, Timothy M.↗
DOE OSTI2021

CRISPR-Cas Genome Editing in the Cellulolytic Bacterium Clostridium thermocellum (C. thermocellum)

Clostridium thermocellum is an anaerobic thermophile that can efficiently degrade lignocellulosic biomass and directly convert it into value-added products such as ethanol. The cellulolytic and ethanologenic capabilities of C. thermocellum make it an excellent candidate for consolidated bioprocessing (CBP) for industrial production, where biomass degradation and fermentation occur simultaneously. In this organism, strain development for effective CBP has traditionally been hindered by the lack of genetic tools. Here, we detail our efficient two-step CRISPR-Cas genome editing protocol for C. thermocellum, using both the native Type I-B CRISPR-Cas system and an exogenous Type-II CRISPR system from Geobacillus stearothermophilus. As recombination is limiting in C. thermocellum genome engineering, we highlight effective thermophilic recombinases necessary to improve genome editing in these systems. We additionally provide design rules for the repair template and synthetic guide RNA (gRNA) for each system. Using these newly developed CRISPR and recombineering tools, targeted C. thermocellum engineering will substantiate efforts toward CBP strain development in industrial applications.

anaerobe↗
DOE OSTI2023

Decision-making Framework to Support the End-of-Life Management of High-Activity Radioactive Sources

Sealed radioactive sources are used for an extremely wide range of purposes, including as radiation sources in various nuclear facilities, universities, hospitals, biomedical and industrial applications, as well as for geological prospecting and exploration. The proper management of these sealed radioactive sources once they have reached their end-of-life is still a global challenge. Very few field-tested Mobile Hot Cells (MHC) exist in the world to support the end-of-life management of disused high-activity radioactive sources. One of the critical challenges that a source recovery team encounters on each site is to find adequate space, and access to that space to complete the staging and recapture process with a MHC; this process is tedious, uncertain, and time-consuming. Therefore, it is essential to understand the planning and management of the MHC setup and takedown. Currently, there isn't an single capable planning tool that will provide an effective medium to plan, inform, educate, and communicate knowledge about the environment where the MHC will be deployed. We present a novel approach for the planning and management of the deployment of the MHC to several different sites that relies on technology. Furthermore, this planning tool will support collaboration, promote information sharing, and foster better decision making processes, resulting in a more efficient, and reliable setup and source recovery with the MHC.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2025

Scale-Up of Friction Self-piercing Riveting Process for Multi-material Joints

A single-class joining process known as “friction self-piercing riveting (F-SPR)” has been developed for joining various low-ductility lightweight materials on a laboratory scale. The frictional heat generated during the F-SPR process improved local ductility, resulting in crack-free joints and robust mechanical performance. This innovative joining technology was further advanced through the scale-up of the process using a new system with several key features (e.g., automatic rivet feeding and clamping system, vacuum system) toward industry readiness. The new integrated F-SPR systems were effectively demonstrated for joining different material combinations (e.g., carbon fiber composite to 7075 Al alloy, 7075 Al alloy to 7075 Al alloy, and 7075 Al alloy to casting Al Aural 5) with a unified technique. Crack-free joint with adequate mechanical interlocking resulted in good mechanical joint strength for each material combination. Then, the process was successfully scaled up by producing multiple joints without any cracks on larger CFC-Al and Al-Al components by the new integrated system, bringing it closer to industrial application.

Lim, Yong Chae [ORNL] (ORCID:0000000321773988)↗
DOE OSTI2023

Automated segmentation of porous thermal spray material CT scans with predictive uncertainty estimation

Abstract Thermal sprayed metal coatings are used in many industrial applications, and characterizing the structure and performance of these materials is vital to understanding their behavior in the field. X-ray computed tomography (CT) enables volumetric, nondestructive imaging of these materials, but precise segmentation of this grayscale image data into discrete material phases is necessary to calculate quantities of interest related to material structure. In this work, we present a methodology to automate the CT segmentation process as well as quantify uncertainty in segmentations via deep learning. Neural networks (NNs) have been shown to excel at segmentation tasks; however, memory constraints, class imbalance, and lack of sufficient training data often prohibit their deployment in high resolution volumetric domains. Our 3D convolutional NN implementation mitigates these challenges and accurately segments full resolution CT scans of thermal sprayed materials with maps of uncertainty that conservatively bound the predicted geometry. These bounds are propagated through calculations of material properties such as porosity that may provide an understanding of anticipated behavior in the field.

Martinez, Carianne↗
DOE OSTI2023

Optimizing Conductivity and Hardness in Cu–Nb Nanolamellar Composites Fabricated Through Accumulative Roll Bonding Without Intermittent Heat Treatments

High strength/high conductivity Cu–XNb nanolamellar bimetallic composites (where X < 50 pct) were successfully processed via accumulative roll bonding. No intermittent heat treatments were used which increases industrial applicability. Estimates of conductivity from published models were validated at length scales of ~ 150 nm but were shown to be four times too low for composites with layer thicknesses < 40 nm. Nanoscale composites with conductivity of ~ 47 pct IACS and 99 Rockwell B hardness were fabricated.

36 MATERIALS SCIENCE↗
DOE OSTI2023

The Influence of Nominal Composition on the Microstructure, Tensile Properties, and Weldability of Cast Monel Alloys

Cast Monel alloys are used in many industrial applications that require a combination of good mechanical properties and excellent resistance to corrosion. Despite relative widespread use, there has been limited prior research investigating the fundamental composition–structure–property relationships. Here in this work, microstructural characterization, thermal analysis, electron probe microanalysis, tensile testing, and Varestraint testing were used to assess the effects of variations in nominal composition on the solidification path, microstructure, mechanical properties, and solidification cracking susceptibility of cast Monel alloys. It was found that Si segregation caused the formation of silicides at the end of solidification in grades containing at least 3 wt pct Si. While increases to Si content led to significant improvements in strengthening due to the precipitation of β 1 -Ni 3 Si, the silicide eutectics acted as crack nucleation sites during tensile loading which severely reduced ductility. The solidification cracking susceptibility of low-Si Monel alloys was found to be relatively low. However, increases to Si concentration and the onset of associated eutectic reactions increased the solidification temperature range and drastically reduced cracking resistance. Increases in the Cu and Mn concentrations were found to reduce the solubility limit of Si in austenite which promoted additional eutectic formation and exacerbated the reductions in ductility and/or weldability.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Electro-carburization of mild steel through two-step reaction in molten-salt electrolyte

The rapid carburization of mild steel is demonstrated via the electrochemical deposition of solid carbon, followed by thermochemical iron-carbon (Fe-C) reaction using a molten lithium-potassium carbonate (LiKCO 3 ) salt electrolyte and carbon dioxide as the carbon source. Depth-dependent microstructural and compositional changes in the steel are shown to be controlled by the applied cell voltage and reaction temperatures. Reaction temperatures above the Fe-C eutectoid temperature promote faster carburization due to carbon dissolution into austenite. The carbon deposition rate is regulated by the applied cell voltage: At - 2.4 V, carbon deposition occurs much faster than its diffusion into the steel, resulting in the accumulation of a carbon-rich layer exceeding 1 mm, which does not diffuse into the steel. In contrast, at - 1.8 V, all deposited carbon effectively diffuses into the steel, leaving a minimal external deposit. In both cases, carbon ingress forms a carbide-rich surface layer and precipitates additional carbides along the grain boundaries within the steel electrode. This method offers a potential approach to increase the carbon content of mild or low-carbon steel feedstocks, such as scrap or direct reduced iron, for industrial applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Sustainability in Directed Energy Deposition

Directed energy deposition (DED) additive manufacturing (AM) has been recognized as an efficient and sustainable technology in the field of advanced manufacturing. In the past few years, Considerable discussion has been made by researchers to promote DED AM for better performance in manufacturing. The discussions focus on basic theoretical research, process optimization and control, technology innovation, and industrial applications. However, this technology׳s environmental and economic benefits over traditional manufacturing processes are still to be seen and its sustainability is also a mystery. Here, this chapter presents a critical overview of the environmental sustainability of DED to provide a comprehensive understanding of the effects of materials, processing conditions, and geometric complexities on the energy consumption and environmental impacts of DED and provide a better guide for decision-makers in terms of selecting suitable manufacturing processes. In addition, this chapter proposes a novel framework for DED AM sustainability assessment and improvement based on the Life Cycle Assessment (LCA) method and multi-objective optimization. At last, future perspectives and recommendations for the sustainability of DED AM are put forward.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Toolpath considerations for hybrid additive manufacturing

Hybrid additive manufacturing combines both additive and subtractive manufacturing processes to fabricate geometrically complex, dimensionally accurate parts that are difficult to make using either additive or subtractive manufacturing alone. Industrial applications for hybrid additive manufacturing include direct manufacturing (building whole parts), feature addition (adding onto existing parts), and remanufacturing or repair operations. To coordinate the additive and subtractive processes, computer-aided manufacturing (CAM) software must generate distinct toolpaths for each process. Each application requires different considerations and inputs when generating the toolpaths. For example, when building a part with an internal cavity that would otherwise be unmanufacturable due to reach or access limitations, a CAM must determine which layer(s) of deposition are appropriate to machine to create the internal cavity. This chapter explores the area of toolpath generation for hybrid manufacturing by discussing the necessary considerations that are unique to a hybrid process.

Feldhausen, Thomas↗
DOE OSTI2024

Toolpath considerations for 5-axis systems

There have been many studies that show how additive manufacturing (AM) has been able to improve the performance of a component, reduce manufacturing costs, or minimize lead times. As the adoption of AM significantly increased, so did the complexity of designs for AM. Many designs require advanced systems, and in response to this, there is an increasing number of systems now capable of additional degrees of motion. 5-axis systems, which include two rotary axes, are becoming more common in the additive manufacturing community. These systems are capable of depositing material on a nonplanar surface and lend themselves to many industrial applications, further extending the design space for AM. However, computer-aided manufacturing (CAM) for AM has been dominated by 3-axis slicing software that do not typically accomodate 5-axis motion. This chapter introduces 5-axis motion and presents the unique considerations that need to be accounted for when generating toolpath trajectories for 5-axis systems.

Feldhausen, Thomas↗
DOE OSTI2020

He ion irradiation response of a gradient T91 steel

Metallic materials with a gradient microstructure usually exhibit excellent mechanical properties. How- ever, the radiation response of gradient structural materials is less well understood. In this work, room- temperature He ion irradiation up to ~4.5 dpa with ~10 at% He injection was performed on a gradient T91 steel processed by surface severe plastic deformation. In comparison to the coarse-grained ferritic T91, the gradient T91 with the nanocrystalline layers shows improved radiation tolerance in terms of less bubble swelling and radiation hardening. Additionally, bubble distribution along grain boundaries depends on misorientation angle suggesting a strong capacity of non-equilibrium grain boundaries in storing He atoms. The present study provides insight into the design of radiation tolerant gradient steels for nuclear industry applications.

36 MATERIALS SCIENCE↗
DOE OSTI2023

A novel additive manufacturing compression overmolding process for hybrid metal polymer composite structures

Metal polymer composites combining low density, high strength composites with highly ductile and tough metals have gained traction over the last few decades as lightweight and high-performance materials for industrial applications. However, the mechanical properties are limited by the interfacial bonding strength between metals and polymers achieved through adhesives, welding, and surface treatment processes. In this paper, a novel manufacturing process combining additive manufacturing and compression molding to obtain hybrid metal polymer composites with enhanced mechanical properties is presented. Additive manufacturing enabled deposition of polymeric material with fibers in a predetermined pattern to form tailored charge or preform for compression molding. Here, a grade 300 maraging steel triangular lattice is first fabricated using AddUp FormUp350 laser powder bed system and compression overmolded with additively manufactured long carbon fiber-reinforced polyamide-6,6 (40% wt. CF/PA66) preform. The fabricated hybrid metal polymer composites showed high stiffness and tensile strength. The stiffness and failure characteristics determined from the uniaxial tensile tests were correlated to a finite element model within 20% deviation. Fractographic analyses was performed using microscopy to investigate failure mechanisms of the hybrid structures.

36 MATERIALS SCIENCE↗