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At least 703 records · Page 39

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DOE OSTI2025

Lithium‐Containing Hybrid SEI Layer Enabling High Mass Loading and Anode‐Less Sodium Metal Batteries

Abstract The continuous rupturing and rebuilding of unstable solid electrolyte interphase (SEI) layer during cycling would block Na + diffusion and induce Na dendrite formation, ultimately limiting the practical application of high‐energy‐density sodium metal batteries. Herein, a hybrid SEI layer containing Li‐species is dexterously constructed on the surface of sodium metal anode. Li‐containing inorganic components (Li 3 N, LiF, and Li 2 CO 3 ) are introduced to stabilize the Na/electrolyte interface and enhance the mechanical and diffusion kinetic properties of the SEI layer, which can reduce the side reactions and gas generation, regulate Na + flux during cycling and promote rapid Na + migration for uniform dendrite‐free Na deposition. As a result, the constructed Na symmetric cells achieve low overpotential and long cycle life of 5900, 1800, and 500 h at current densities of 3, 10, and 30 mA cm −2 , respectively. Furthermore, the full cells paired with the Na₃V₂(PO₄)₃ cathode demonstrate high specific capacity and excellent cycle stability, even at an ultra‐high cathode loading of 39.3 mg cm −2 and a low N/P ratio (negative/positive electrode capacity ratio of 1.21).

Xia, Li [State Key Laboratory of Physical Chemistr↗

DOE OSTI2025

Enhanced Laser-Induced Graphene Microfluidic Integrated Sensors (LIGMIS) for On-Site Biomedical and Environmental Monitoring

The convergence of microfluidic and electrochemical biosensor technologies offers significant potential for rapid, in-field diagnostics in biomedical and environmental applications. Traditional systems face challenges in cost, scalability, and operational complexity, especially in remote settings. Addressing these issues, laser-induced graphene microfluidic integrated sensors (LIGMIS) are presented as an innovative platform that integrates microfluidics and electrochemical sensors both comprised of laser-induced graphene. This study advances the LIGMIS concept by resolving issues of uneven fluid transport, increased hydrophobicity during storage, and sensor biofunctionalization challenges. Key innovations include Y-shaped reservoirs for consistent fluid flow, hydrophilic polyethyleneimine coatings to maintain wettability, and separable microfluidic and electrochemical components enabling isolated electrode nanoparticle metallization and biofunctionalization. Multiplexed electrochemical detection of the neonicotinoid imidacloprid and nitrate ions in environmental water samples yields detection limits of 707 nm and 10 -5.4 m with wide sensing ranges of 5–100 µm and 10 -5 –10 -1 m, respectively. Similarly, uric acid and calcium ions are detected in saliva, demonstrating detection limits of 217 nm and 10 -5.3 m with sensing ranges of 10–50 µm, and 10 -5 –10 -2.5 m, respectively. Overall, this biosensing demonstrates the capability of the LIGMIS platform for multiplexed detection in biologically complex solutions, with applications in environmental water quality monitoring and oral cancer screening.

environmental monitoring↗

DOE OSTI2022

Selective Sulfidation for Rare Earth Element Separation

Rare earth metals and compounds are critical components of advanced materials for energy, structural alloys, and transportation. These low-tonnage elements are sourced together as by- and co-products, and presently require complete hydrometallurgical dissolution followed by liquid–liquid separation for their isola- tion and production. There is great interest in developing alternatives to those hydrometallurgical processes in order to limit the environmental impact of rare earth element supply. Herein, we present selective sulfidation as a novel, high- temperature alternative to facilitate physical separation of rare earth by- and co- product elements. We explore the thermodynamics of rare earth oxide sulfidation with elemental sulfur, and discuss the role of carbon in controlling sulfidation selectivity. We apply these findings to the demonstration of selective sulfidation for iron-rare earth and lanthanide-lanthanide separations.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Coaxial color channel focus evaluation to estimate standoff height in directed energy deposition additive manufacturing

Directed energy deposition (DED) is an additive manufacturing process that is being rapidly adopted by industry and is well suited for the fabrication of complex components in a variety of metal alloys. In laser cladding systems such as DED, powder is blown in a stream to a metal substrate coincident with a laser necessary to deposit molten metal with 3D spatial control. The focus of both the laser and the powder stream are crucial, and best deposition occurs at a predetermined standoff height between the build surface and the print head. Generally, no monitoring of this distance is implemented in commercial DED systems. Due to potential over or under building, the standoff height often changes over time but tends to self-correct. However, inexpensive and minimally intrusive methods to identify optimal standoff are required to provide real-time control to maintain the optimal distance. The present work explores the quantification of the focus of the three-color channels of a coaxial camera to determine the standoff height. An experiment was performed in which a 254 mm wall is built and the standoff height, initially 5.0 mm below the optimal position, was then intentionally increased every 25.4 mm of wall length by an amount of 1.0 mm to a final position 7.0 mm above optimal. Computer vision is demonstrated to monitor the amount of focus in each color band and estimate standoff distance. Finally, a response can be calculated in under 40 ms using simple hardware and can work in most laser-based DED systems.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Phase evolution in two-phase alloys during severe plastic deformation

Herein, phase evolution in FCC metals with strongly interacting alloy components during severe plastic deformation is investigated using molecular dynamics simulations. Specifically, we study the alloy microstructure in steady state, nucleation and growth of precipitates in supersaturated alloys, and the decomposition of precipitates in undersaturated alloys. The results are compared to a modified effective temperature model, providing a physical understanding for the atomic processes underlying the model and a perspective on its strengths and weaknesses. Key observations in this work are nucleation and growth of precipitates during SPD at a temperature of 100 K; Gibbs-Thomson-like behavior relating solubility to precipitate size under steady-state shearing; a direct relationship between the effective temperature and the shear modulus; and the importance of cluster agglomeration during precipitate growth. The study also reveals that the mechanisms of forced chemical mixing depends on precipitate size, adding complications for effective temperature models describing inhomogeneous systems. The simulations are shown to provide good semiquantitative agreement with experimental findings reported in the literature.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Nondestructive neutron imaging diagnosis of acidic gas reduction catalyst after 400-Hour operation in natural gas furnace

Residential natural gas furnaces are the primary space-heating devices in US homes, leading to substantial environmental impact caused by the acidic components in the furnace combustion gases. Here, to experimentally demonstrate acidic gas reduction in a furnace, a monolithic catalyst was fabricated and was called the AGR. A commercially-available condensing furnace was retrofitted with the AGR, and a 400-hour reliability and durability test was conducted. The results showed that the AGR significantly reduced acidic gases in the flue gas and produced condensate with neutral pH. Challenges were also revealed: inappropriate condensate drainage caused incomplete combustion and amorphous carbon deposits. To nondestructively survey the internal state of the AGR, neutron computed tomography (NCT) was employed to produce spatially resolved 2D and 3D representations of the 2-L, aged AGR component. The NCT results confirm the integrity of the AGR component, which consists of two blocks, without deformation or damage to AGR channels. The distribution of the particle accumulation in the middle of the top block was visibly heavier than the entrance and exit of the top block. The representative cross-section views revealed significant aggregation in the central region but not at the rim. The spatially resolved details provide in-depth diagnosis, evaluation, and understanding of the AGR. The insights can enable new AGR designs that realize a uniform and self-cleaning flow pattern, alleviate significant particle aggregation, and thus enhance AGR-enabled furnace performance. The neutron imaging method demonstrates the good potential that can diagnose faults and improve the design, optimization, and production processes of novel catalysts and other components or systems with heavy metal shell.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Interaction of Anisole on Alumina-Supported Ni and Mo Oxide Hydrodeoxygenation Catalysts

The conversion of biomass to transportation fuels and value-added chemicals is a promising method to reduce reliance on fossil fuels. Mo-based catalysts have been shown to be highly active in the hydrodeoxygenation of biomass-derived phenolic compounds. The catalyst active phase, surface species, and the effect of adding additional metals is not comprehensively understood. Here we compare the temperature-dependent adsorption behavior of the model compound anisole 2 on an alumina-supported mixed nickel molybdenum oxide catalyst with two reference catalysts of molybdenum oxide and nickel oxide. Raman spectroscopy showed that the catalysts contain significant amounts of molybdates and molybdoaluminates, in addition to NiMoO 4 in the nickel molybdenum catalyst and MoO 3 in the molybdenum-only catalyst. Using transmission infrared spectroscopy under a controlled environment, we find that anisole chemisorbed largely through the oxygen in the methoxy group to form surface-bound phenoxy and methoxy species on all the catalysts. Ambient pressure X-ray photoelectrons spectroscopy measurements of the catalysts in anisole vapor showed reduced Mo atoms are the binding sites. The surface interaction and removal temperature of these species varied with the metal composition. The MoO x component dominated the adsorption behavior in both MoO x and NiMoO x catalysts. The formation of new aromatics, including methylated rings, depended on Ni composition. Upon adding hydrogen to induce the hydrodeoxygenation of anisole, undesirable polynuclear aromatic species were quickly formed on the Mo-based catalysts. In conclusion, these results suggest that the molybdenum oxide controls the adsorption and reactivity of the surface species, with a cooperative effect by Ni.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Adsorption-Induced Surface Magnetism

We report the emergence of adsorption-induced magnetism from heterohelicene molecules on a nonmagnetic Cu(100) surface. Spin-polarized low-energy electron microscopy measurements reveal spin-dependent electron reflectivity for enantiopure 7,12,17-trioxa[11]helicene (TO[11]H) monolayers, indicating the formation of a spin-polarized state localized in the topmost copper layer. Control experiments on clean Cu(100) and TO[11]H on highly oriented pyrolytic graphite show no such effect, excluding artifacts and chirality-induced spin selectivity as origins. Spin-polarized density functional theory calculations with hybrid functionals attribute the magnetism to strong chemisorption, which induces hybridization between the molecular HOMO and copper s- and d-states, driving asymmetric spin-polarized charge redistribution at the interface. An extended Newns-Anderson-Grimley model incorporating on-site Coulomb repulsion in Cu d-orbitals reproduces the emergence of interfacial spin polarization above a threshold interaction strength, highlighting the key roles of hybridization parameters and Coulomb correlation. These findings reveal a mechanism for inducing magnetism at molecule-metal interfaces without inherently magnetic components, offering avenues for engineering spin-polarized states in organic-inorganic hybrid systems.

Hubbard model↗

DOE OSTI2021

Mechanical Properties of Additively Manufactured 316L Stainless Steel Before and After Neutron Irradiation (FY21)

This report presents the materials property data of additively manufactured (AM) 316L stainless steel (SS) accumulated for the assessment of core materials in the Transformational Challenge Reactor (TCR) program. The TCR manufacturing approach includes using the laser powder bed fusion (LPBF) method for metallic (316L and Inconel 718) components. To assess the mechanical performance of printed components in reactor-relevant conditions and build a property database for the AM materials, mechanical tests and evaluations were performed before and after neutron irradiation. Miniature tensile specimens were irradiated in the High Flux Isotope Reactor to 0.2, 2, 8, and 10 dpa at target temperatures of 300 and 600°C. Postirradiation evaluation for the 0.2 and 2 dpa specimens was performed during FY20 and FY21, and the results are presented and discussed in this document.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRS1980

On the performance of explicit and implicit algorithms for transient thermal analysis

The status of an effort to increase the efficiency of calculating transient temperature fields in complex aerospace vehicle structures is described. The advantages and disadvantages of explicit and implicit algorithms are discussed. A promising set of implicit algorithms, known as the GEAR package is described. Four test problems, used for evaluating and comparing various algorithms, have been selected and finite element models of the configurations are discribed. These problems include a space shuttle frame component, an insulated cylinder, a metallic panel for a thermal protection system and a model of the space shuttle orbiter wing. Calculations were carried out using the SPAR finite element program, the MITAS lumped parameter program and a special purpose finite element program incorporating the GEAR algorithms. Results generally indicate a preference for implicit over explicit algorithms for solution of transient structural heat transfer problems when the governing equations are stiff. Careful attention to modeling detail such as avoiding thin or short high-conducting elements can sometimes reduce the stiffness to the extent that explicit methods become advantageous.

Adelman, H. M.↗

NASA NTRS1982

Wideband Amplifier With Subpicosecond Stability

RF circuit offers high isolation as well as phase stability. For temperature stability, all circuit components are contained in closed metal housing; packages of active circuit elements are embedded in common heat sink. Provisions not only slow down effect of ambient temperature changes on individual devices but also reduce temperature differences across devices so that differential temperature effects vanish.

Reinhardt, V. S.↗

NASA NTRS1981

Some aspects of algorithm performance and modeling in transient analysis of structures

The status of an effort to increase the efficiency of calculating transient temperature fields in complex aerospace vehicle structures is described. The advantages and disadvantages of explicit algorithms with variable time steps, known as the GEAR package, is described. Four test problems, used for evaluating and comparing various algorithms, were selected and finite-element models of the configurations are described. These problems include a space shuttle frame component, an insulated cylinder, a metallic panel for a thermal protection system, and a model of the wing of the space shuttle orbiter. Results generally indicate a preference for implicit over explicit algorithms for solution of transient structural heat transfer problems when the governing equations are stiff (typical of many practical problems such as insulated metal structures).

Adelman, H. M.↗

NASA NTRS1980

Recent work on use of lunar materials for SPS construction

The feasibility of mounting a small operation on the Moon to productively use lunar materials in support of programs such as the solar power satellite is addressed. A cost effective scenario of a small chemical process plant on the surface of the Moon and a small machine shop located in orbit is presented. The mass of the space installation is compared to the projected outputs in 90 days. It is indicated that the system would have the capability of replicating about 90% of its own components and would provide the metals, glasses, and silicon needed for the contruction of 90% to 96% of the mass of one solar power satellite per year.

Oneill, G. K.↗

NASA NTRS1982

Some aspects of algorithm performance and modeling in transient thermal analysis of structures

The status of an effort to increase the efficiency of calculating transient temperature fields in complex aerospace vehicle structures is described. The advantages and disadvantages of explicit and implicit algorithms are discussed. A promising set of implicit algorithms with variable time steps, known as the GEAR package is described. Four test problems, used for evaluating and comparing various algorithms, were selected and finite element models of the configurations are described. These problems include a space shuttle frame component, an insulated cylinder, a metallic panel for a thermal protection system, and a model of the space shuttle orbiter wing. Results generally indicate a preference for implicit oer explicit algorithms for solution of transient structural heat transfer problems when the governing equations are stiff.

Adelman, H. M.↗

NASA NTRS1981

Some aspects of algorithm performance and modeling in transient thermal analysis of structures

The status of an effort to increase the efficiency of calculating transient temperature fields in complex aerospace vehicle structures is described. The advantages and disadvantages of explicit and implicit algorithms are discussed. A promising set of implicit algorithms with variable time steps, known as the GEAR package is described. Four test problems, used for evaluating and comparing various algorithms, have been selected and finite-element models of the configurations are described. These problems include a Space Shuttle frame component, an insulated cylinder, a metallic panel for a thermal protection system, and a model of the Space Shuttle Orbiter wing. Results generally indicate a preference for implicit over explicit algorithms for solution of transient structural heat transfer problems when the governing equations are 'stiff' (typical of many practical problems such as insulated metal structures).

Adelman, H. M.↗

NASA NTRS1984

Determination of the succinonitrile-benzene and succinonitrile-cyclohexanol phase diagrams by thermal and UV spectroscopic analysis

Equilibrium temperature-composition diagrams were determined for the two organic systems, succinonitrile-benzene and succinonitrile-cyclohexanol. Measurements were made using the common thermal analysis methods and UV spectrophotometry. Succinonitrile-benzene monotectic was chosen for its low affinity for water and because UV analysis would be simplified. Succinonitrile-cyclohexanol was chosen because both components are transparent models for metallic solidification, as opposed to the other known succinonitrile-based monotectics.

Kaukler, W. F.↗

NASA NTRS1985

Metallic and metalloceramic coating by thermal decomposition

Metallic and metalloceramic coatings were prepared by thermal decomposition of a number of inorganic and metallo-organic compounds. The compounds were applied by spraying and by immersion, especially on ceramic fibers and fiber forms, which are easily coated by this procedure. Penetration of low-density ceramics is examined, and procedures are described that were used for converting the deposited materials to metals, oxides, or metal oxide films. Multiple-component films were also prepared. Photomicrographs illustrate the structure of these films.

Hendricks, R. C.↗

NASA NTRS1985

A swirl flow evaporative cold plate

A forced flow evaporative cold plate is under development for future application to the thermal bus concept being pursued by NASA for Space Station Thermal Control. The vaporizer is a swirl-flow device employing a spiral tube coil geometry sandwiched between conductive metal plates upon which electric components could be mounted. This concept is based on the inherent phase separation that occurs in a two phase stream in curvilinear flow. This is a zero 'g' design with one 'g' all-attitude capability and is capable of high heat transfer coefficients, good isothermality, and the ability to function at heat fluxes approaching 5w/sq cm on the cold plates (10w/sq cm on the tube wall) with Freon 114. The advantages of this design over other two phase evaporator approaches are high heat flux capability, simplified control requirements, insensitivity to micro-gravity oscillations, and inexpensive manufacturability. The program included design, fabrication, and test of such a cold plate utilizing an existing test stand developed for two-phase thermal management system (TPTMS) testing. Test results analysis and conclusions are included.

Niggemann, R. E.↗