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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Iodine Removal from Carbonate-Containing Alkaline Liquids Using Strong Base Resins, Hybrid Resins, and Silver Precipitation

The ability of several material types to remove aqueous iodine from a mildly alkaline, carbonate-rich nuclear waste stream was evaluated: strong base anion exchange resins (SBAR), hybrid resins, Ag-containing materials and Bi-containing hybrid resins. A combination of batch testing and flow through column testing were used in the evaluation. In batch testing, hybrid resins CHM-20, SIR-110-CE and RTBI were shown to have high efficiency for the removal of both iodide and iodate simultaneously, while Ag-containing materials and SBAR demonstrated high capacity for iodide removal. One example of each material type (CHM-20, A532E and Ionex 400) were further evaluated for their sorption isotherms and column performance. The Langmuir isotherm, or a Langmuir-Freundlich hybrid isotherm, best described the sorption of iodide to the CHM-20 hybrid resin and Purolite A532E. The Freundlich isotherm best described the uptake of iodate to CHM-20 and A532E and for both iodide and iodate to the Ag-containing Ionex-400. In column testing the Purolite A532E had exceptional performance for overall iodide removal. With the capacity demonstrated the A532E resin would exceed Class C waste classification before breakthrough initiated, and column change outs in processing would be dictated by eventual waste classification, not breakthrough. The Ionex 400, a Ag-zeolite, was observed to degrade over time in the column in the mild alkaline conditions whereas the hybrid CHM-20 was limited in the single pass through design and would be best suited for applications where iodide and iodate are present and recirculation of the column effluent is feasible. Here this work highlights the feasibility of commercially available materials to separate radioiodine from liquid environments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Progress in demonstrating the performance of Engineered Barriers for the disposal of HLW and SNF: lab studies and demonstration experiments - 20293

Disposal of high-level radioactive waste (HLW) and spent nuclear fuels (SNF) in a geological disposal facility requires a fundamental understanding of the degradation processes of materials used in its engineered barrier system (EBS) over very long timescales. Beyond the wasteform itself (i.e. the borosilicate glass for HLW or the fuel matrix and cladding for SNF), materials often employed in a disposal concept include metallic containers (typically copper and/or carbon steel) and clay-based buffer materials (typically bentonite). In this paper we explore key developments on the long-term evolution of materials employed for the immobilisation, isolation and containment of HLW and SNF in a geological disposal facility, including nuclear glasses, candidate container materials and clay buffers. Our discussion is based on the latest findings from both experimental studies and in-situ demonstration experiments. We present relevant findings from the long-term evolution of HLW glasses (UK composition), metallic materials for the containment system (envisaged in Switzerland, Sweden, Canada and other countries), and bentonite clays (envisaged in many national disposal programmes). (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2021

Circular Bioeconomy Concepts—A Perspective

Circular economy concepts—including a circular bioeconomy—aim to transition the current, essentially linear, economic system to a more sustainable one. However, organizations and researchers currently define the circular economy concept differently, resulting in inconsistencies and difficulty in effectively implementing the framework. In this paper, we provide our perspective on the conceptual definitions of the circular economy, bioeconomy, and circular bioeconomy, outlining potential overlaps and differences and proposing a harmonized interpretation that stresses the importance of the carbon cycle. We conclude that the key goal of a circular economy is to slow, narrow, and close material resource loops, built on the foundation of renewable energy and non-toxic materials. Further, a sustainable bioeconomy goes beyond simply switching fossil resources with renewable, biological resources. It requires low-carbon energy inputs, sustainable supply chains, and promising disruptive conversion technologies for the sustainable transformation of renewable bioresources to high-value bio-based products, materials, and fuels. The bio-based circular carbon economy, in particular, stresses capturing atmospheric carbon via photosynthesis and exploiting this unique feature to the fullest extent possible. It sits at the intersection between the circular economy and the bioeconomy concept, resulting in a framework that focuses on closing the carbon cycle and stressing the opportunity to create an additional carbon sink capability in the technosphere by utilizing biogenic carbon for products and materials that are circulated in same or improved use cycles. Lastly, a sustainable circular bioeconomy transition will necessitate a set of consistent metrics that fit all products and industries.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2025

Aligned carbon nanotubes for 1,000x improvement in computing (CRADA Final Report)

As part of the Cyclotron Road program, the Aligned Carbon team worked to improve and bring to market their technology to manufacture carbon nanotubes (CNTs) for integrated circuits. There are multiple applications which can benefit from the use of CNT based transistors in integrated circuits, including high performance computing, RF data transmission, and biosensing. Each of these applications faces a problem of poor starting CNT material to come to market. Aligned Carbon offers material with the highest ceiling of performance based around a fully aligned, uniform, on-wafer growth of CNTs and our proprietary purification process to remove metallic CNTs leaving only the semi-conducting ones behind. Further, Aligned Carbon has been guided by scalable manufacturing processes that will fit seamlessly into the integrated circuit foundry model of chip fabrication.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Machine Learning-Driven Optimization of Building Enclosures for Moisture Durability and Thermal Performance

The design of moisture-durable building enclosures with low embodied carbon often involves an iterative process of selecting the materials for the specific exposure conditions to meet the performance requirements. While hygrothermal simulations are commonly used to evaluate moisture durability, they often require advanced expertise for proper implementation. Machine learning (ML) provides a promising alternative by streamlining the design process and minimizing the reliance on complex simulations. This study presents a machine learning-based approach for predicting moisture durability in residential wall assemblies. The ML model was trained to estimate the mold index and maximum moisture content of various layers under typical exposure conditions. The model achieved a high predictive accuracy, with a coefficient of determination (R²) exceeding 0.90 when compared to traditional hygrothermal simulations on materials that were not part of training the ML model. Building on these results, the ML model was developed into a practical tool for optimizing wall assembly designs. This tool allows users to automatically optimize material selections based on energy, moisture, and carbon performance criteria. By incorporating multi-objective optimization, the tool identifies configurations that minimize embodied carbon while maintaining moisture safety and code-compliant thermal performance. Additionally, it provides insights into how material choices influence assembly durability, energy efficiency, and carbon reduction. The tool will be implemented in the Building Science Advisor (BSA) to enhance its performance and provide more granularity on the results. This research highlights the potential for ML-driven tools to simplify the design of high-performance building enclosures, offering architects and engineers a faster, more efficient way to balance critical performance factors.

Salonvaara, Mikael [ORNL] (ORCID:0000000318991554)↗
DOE OSTI2024

Carbon capture in polymer-based electrolytes

Nanoparticle organic hybrid materials (NOHMs) have been proposed as excellent electrolytes for combined CO 2 capture and electrochemical conversion due to their conductive nature and chemical tunability. However, CO 2 capture behavior and transport properties of these electrolytes after CO 2 capture have not yet been studied. Here, we use a variety of nuclear magnetic resonance (NMR) techniques to explore the carbon speciation and transport properties of branched polyethylenimine (PEI) and PEI-grafted silica nanoparticles (denoted as NOHM-I-PEI) after CO 2 capture. Quantitative 13 C NMR spectra collected at variable temperatures reveal that absorbed CO 2 exists as carbamates (RHNCOO – or RR'NCOO – ) and carbonate/bicarbonate (CO 3 2– /HCO 3 – ). The transport properties of PEI and NOHM-I-PEI studied using 1 H pulsed-field-gradient NMR, combined with molecular dynamics simulations, demonstrate that coulombic interactions between negatively and positively charged chains dominate in PEI, while the self-diffusion in NOHM-I-PEI is dominated by silica nanoparticles. These results provide strategies for selecting adsorbed forms of carbon for electrochemical reduction.

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

Analysis of the turbostratic structures in PAN-based carbon fibers with wide-angle x-ray diffraction

Carbon fiber (CF) is a versatile material renowned for its excellent mechanical, thermal, and electrical properties. Polyacrylonitrile (PAN)-based CFs dominate the market due to their high tensile strength, rendering them suitable for structural applications in a wide variety of applications ranging from sporting goods to aerospace. Over five decades of commercial development of PAN-based CF has resulted in a range of varieties with different tensile moduli and tensile strengths. The microstructures, nanostructures, and crystal structures of PAN-based CF play pivotal roles in the macroscale properties of this material. In particular, the crystal structure and crystallite orientation in CF is closely related to the mechanical properties. The crystal structure of PAN-based CF generally consists of turbostratic carbon, which is a disordered form of graphite, the characteristics of which can be effectively characterized in a bulk format through wide-angle x-ray diffraction (WAXD). In this work, we employed a three-part approach to the analysis of WAXD patterns collected from four intermediate modulus PAN-based CFs. The approach incorporates a Scherrer analysis, a Debye analysis, and an orientational analysis to provide precise estimates of crystallite sizes, crystallite distributions, and crystallite orientations with the fiber axis. Furthermore, the results presented here suggest that intermediate modulus PAN-based CF mostly consists of small turbostratic crystallites (<4 nm), with larger crystallites having increased orientation with the fiber axis. The results here imply the presence of curvature and/or wrinkling of the turbostratic layers within the CF structure.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Heat Transfer Characteristics of Particle and Air Flow Through Additively Manufactured Lattice Frame Material Based on Octet-Shape Topology

Particle-to-supercritical carbon dioxide (sCO 2 ) heat exchanger is a critical component in next-generation concentrating solar power (CSP) plants. The inherently low heat transfer between falling particles and sCO 2 imposes a challenge toward economic justification of levelized cost of electricity produced through solar energy. Introduction of integrated porous media with the walls bounding particle flow has the potential to enhance the overall particle-to-sCO 2 heat exchanger performance. Here, this paper presents an experimental study on heat transfer characterization of additively manufactured lattice frame material based on Octet-shaped unit cell with particles and air as working fluids. The lattice structures were additively manufactured in stainless steel (SS) 316L and SS420 (with 40% bronze infiltration) via Binder jetting process, where the lattice porosities were varied between 0.75 and 0.9. The mean particle diameters were varied from 266 μm to 966 μm. The effective thermal conductivity and averaged heat transfer coefficient were determined through steady-state experiments. It was found that the presence of lattice enhances the effective thermal conductivity by 2–4 times when compared to packed bed of particles alone. Furthermore, for gravity-assisted particle flow through lattice panel, significantly high convective heat transfer coefficients ranging from 200 W/m2K to 400 W/m2K were obtained for the range of particle diameters tested. The superior thermal transport properties of Octet-shape-based lattice frame for particle flow makes it a very promising candidate for particle-to-sCO 2 heat exchanger for CSP application.

14 SOLAR ENERGY↗
DOE OSTI2021

Hex-C 558 : A new porous metallic carbon allotrope for lithium-ion battery anode

Due to the limited specific capacity of graphite anodes in lithium-ion batteries (LIBs), it is imperative to find alternatives with better performance. Here in this work, we propose, for the first time, a three dimensional (3D) porous metallic 5-5-8 carbon monolith with hexagonal lattice as a potential candidate. With 5-5-8 carbon nanoribbon as the building block, this material, named Hex-C558, goes beyond graphene-nanoribbon-based 3D porous carbon structures. Using first-principles calculations, we show that Hex-C 558 is not only dynamically and thermally stable, but also is energetically more favorable than many other theoretically predicted carbon allotropes. More importantly, Hex-C 558 is metallic with ordered ionic conducting channels and possesses a low mass density of 1.05 gcm -3 , exhibiting great potential for ion-battery applications. As an anode for LIBs, Hex-C558 possesses a large specific capacity of 591 mAhg -1 , low diffusion energy barrier of 0.27 eV (at low Li concentration) and 0.52 eV (at high Li concentration), a low open-circuit voltage of 0.51 V, and a small volume change of 2.4%. This work provides a new route for the design and synthesis of novel carbon materials for battery applications by using pentagon-based building units.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Editorial: Harmonizing life cycle analysis (LCA) and techno-economic analysis (TEA) guidelines: a common framework for consistent conduct and transparent reporting of carbon dioxide removal and CCU technology appraisal

Stabilizing the climate will require significant efforts to curb greenhouse gas emissions, manage emissions that cannot be avoided, and remove as many legacy emissions as possible [i.e., carbon dioxide (International Energy Agency, 2020; Author Collective, 2022)]. In that context, negative emissions technologies will take CO 2 from the air (Direct Air Capture) or the water (Direct Ocean Capture) and permanently remove it (Roger et al., 2021) either by sequestering the CO 2 underground or converting it to so-called Track 1 materials (Sick et al., 2021) that have lifetimes of >100 years. Shorter-lived products that decompose back into CO 2 in <100 years are categorized as Track 2 materials and will at best be carbon neutral. A carbon neutral status can also be achieved if captured CO 2 from fossil-based point sources is sequestered or used to create Track 1 materials. Conversion of CO 2 from fossil-based sources to any Track 2 material and subsequent decomposition would add new fossil-based carbon to the atmosphere, constituting an ultimately undesirable process. The overall carbon footprint of a process or product will depend on many factors associated with the carbon production, use, and disposal phases.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

An In-Depth Exploration of the Electrochemical Oxygen Reduction Reaction (ORR) Phenomenon on Carbon-Based Catalysts in Alkaline and Acidic Mediums

Detailed studies of the electrochemical oxygen reduction reaction (ORR) on catalyst materials are crucial to improving the performance of different electrochemical energy conversion and storage systems (e.g., fuel cells and batteries), as well as numerous chemical synthesis processes. In the effort to reduce the loading of expensive platinum group metal (PGM)-based catalysts for ORR in the electrochemical systems, many carbon-based catalysts have already shown promising results and numerous investigations on those catalysts are in progress. Most of these studies show the catalyst materials’ ORR performance as current density data obtained through the rotating disk electrode (RDE), rotating ring-disk electrode (RRDE) experiments taking cyclic voltammograms (CV) or linear sweep voltammograms (LSV) approaches. However, the provided descriptions or interpretations of those data curves are often ambiguous and recondite which can lead to an erroneous understanding of the ORR phenomenon in those specific systems and inaccurate characterization of the catalyst materials. In this paper, we presented a study of ORR on a newly developed carbon-based catalyst, the nitrogen-doped graphene/metal-organic framework (N-G/MOF), through RDE and RRDE experiments in both alkaline and acidic mediums, taking the LSV approach. The functions and crucial considerations for the different parts of the RDE/RRDE experiment such as the working electrode, reference electrode, counter electrode, electrolyte, and overall RDE/RRDE process are delineated which can serve as guidelines for the new researchers in this field. Experimentally obtained LSV curves’ shapes and their correlations with the possible ORR reaction pathways within the applied potential range are discussed in depth. We also demonstrated how the presence of hydrogen peroxide (H2O2), a possible intermediate of ORR, in the alkaline electrolyte and the concentration of acid in the acidic electrolyte can maneuver the ORR current density output in compliance with the possible ORR pathways.

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

Development of Novel Sintered Carbon-Ore Building Materials

The main objective for this project was to develop value-added products from carbon-ore leading to commercialization of a carbon-based product. These carbon-based products (LIG2 products) are produced using the sintered carbon-ore building materials (SCBM) technology and have carbon contents greater than 70 wt.% carbon with greater than 51wt.% of the carbon coming from carbon-ore. The project team produced LIG2 bricks at a rate of five bricks per day and characterized the material properties of the bricks. These products can then be used in fabrication of a carbon-based building. A technical and economic analysis (TEA), cradle-to-grave life cycle analysis (LCA), technology gap analysis, and conceptual design were also completed for the LIG2 carbon-ore brick manufacturing process.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2020

Iodine Immobilization by Materials through Sorption and Redox-Driven Processes: A Literature Review

Radioiodine-129 (129I) in the subsurface is mobile and limited information is available on treatment technologies. Scientific literature was reviewed to compile information on materials that could potentially be used to immobilize 129I through sorption and redox-driven processes, with an emphasis on ex-situ processes. Candidate materials to immobilize 129I include iron minerals, sulfur-based materials, silver-based materials, bismuth-based materials, ion exchange resins, activated carbon, modified clays, and tailored materials (metal organic frameworks (MOFS), layered double hydroxides (LDHs) and aerogels). Where available, compiled information includes material performance in terms of (i) capacity for 129I uptake; (ii) long-term performance (i.e., solubility of a precipitated phase); (iii) technology maturity; (iv) cost; (v) available quantity; (vi) environmental impact; (vii) ability to emplace the technology for in situ use at the field-scale; and (viii) ex situ treatment (for media extracted from the subsurface or secondary waste streams). Because it can be difficult to compare materials due to differences in experimental conditions applied in the literature, Part II of this review describes results of laboratory studies for selected materials using a standardized batch loading test.

Moore, Robert C.↗
DOE OSTI2026

Empirical scaling of the L–H threshold power for metal wall tokamaks using a multi-device database

The empirical scaling for the H-mode power threshold in tokamaks has been revisited using a database with threshold data from machines with a metallic first wall as part of International Tokamak Physics Activity (ITPA) task TC-26. The database contains discharges from ASDEX Upgrade (AUG) (W), JET (Be/W) and Alcator C-Mod (Mo). This was motivated by reports that in like-for-like discharges the power threshold was reduced by approximately 30% after the change from carbon based to metallic first wall materials on AUG (Ryter et al 2013 Nucl. Fusion 53 113003) and JET (Maggi et al 2014 Nucl. Fusion 54 023007). The database contains L–H transition data for all hydrogen isotopes and mixtures, including T and DT from the recent JET campaigns. Compared to the ITPA 2008 scaling (Martin et al 2008 J. Phys.: Conf. Ser. 123 012033), the metal wall scaling has a smaller magnetic field exponent but a larger density exponent. We present an additional parameter to capture the strong dependence of the L–H power threshold (approx. factor 2) on the magnetic configuration in the divertor on JET. The scaling recovers the approximate inverse isotope mass scaling of the threshold power. Alternative scalings involving the plasma current and poloidal magnetic field are explored. Despite the reduction in threshold observed earlier, the scalings based on the metal wall database do not necessarily extrapolate to a lower threshold for ITER compared to the ITPA 2008 scaling, especially at high density. The divertor configuration effect induces the largest uncertainty in the extrapolation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Calcium Carbonate Cement: A Carbon Capture, Utilization, and Storage (CCUS) Technique

A novel calcium carbonate cement system that mimics the naturally occurring mineralization process of carbon dioxide to biogenic or geologic calcium carbonate deposits was developed utilizing carbon dioxide-containing flue gas and high-calcium industrial solid waste as raw materials. The calcium carbonate cement reaction is based on the polymorphic transformation from metastable vaterite to aragonite and can achieve >40 MPa compressive strength. Due to its unique properties, the calcium carbonate cement is well suited for building materials applications with controlled factory manufacturing processes that can take advantage of its rapid curing at elevated temperatures and lower density for competitive advantages. Examples of suitable applications are lightweight fiber cement board and aerated concrete. The new cement system described is an environmentally sustainable alternative cement that can be carbon negative, meaning more carbon dioxide is captured during its manufacture than is emitted.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Magnetic states of atomic vacancies in graphite probed by scanning tunneling microscopy

Intrinsic defects in graphitic materials, like vacancies and edges, have been expected to possess magnetic states from the many-body interaction of localized electrons. However, charge screening from graphite bulk carriers significantly reduces the localization effect and hinders the observation of those magnetic states. Here, we use an ultra-low-temperature scanning tunneling microscope with a high magnetic field to observe the magnetic states of atomic vacancies in graphite generated by ion sputtering. Scanning tunneling spectroscopy reveals localized states at the vacancies, which exhibit splitting at a certain magnetic field whose separation increases with the field strength. The transition is well described by the “Anderson model,” which describes the emergence of localized magnetic states inside the metallic reservoir through electron–electron interaction. The interaction strength is estimated to be between 1 meV and 3 meV, which is supported by the density functional theory calculation. The observation provides an important foundation for application of intrinsic defects to carbon-based spintronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2021

New Opportunity for Carbon-Supported Ni-based Electrocatalysts: Gas-Phase CO 2 Methanation

The cost-effectiveness and excellent performance of conductive-carbon-supported Ni-based electrocatalysts make them attractive materials for hydrogen oxidation and evolution reactions. However, they were previously unused in gas-phase hydrogenation reactions. In this work, we have expanded the applicability of commercially available advanced Ni/C, NiMo/C and NiRe/C materials from electrocatalysis to heterogeneous catalysis of CO 2 methanation. Our catalytic testing efforts indicate that the monometallic Ni/C material demonstrates the best CO 2 methanation properties, achieving an excellent CO 2 conversion of 83 % at 400 °C with nearly complete selectivity to CH 4 of 99.7 %, plus exhibiting intact performance during 90 h of time-on-stream testing. Such catalytic properties are among the highest reported to date among carbon-supported Ni-based methanation catalysts. Finally, excellent performance of Ni/C stems from the good dispersion of the Ni nanoparticles over N-containing carbon support material.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗