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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 757 records · Page 42
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Zinc oxide based sorbent and process for preparing same

Zinc oxide-based sorbents, and processes for preparing and using them are provided, wherein the sorbents are preferably used to remove one or more reduced sulfur species from gas streams. The sorbents contain an active zinc component, optionally in combination with one or more promoter components and/or one or more substantially inert components. The active zinc component is a two-phase material, consisting essentially of a zinc oxide (ZnO) phase and a zinc aluminate (ZnAl 2 O 4 ) phase. Each of the two phases is characterized by a relatively small crystallite size of typically less than about 50 nm (500 Angstroms). Preferably the sorbents are prepared by using an alkali metal base to convert a precursor mixture, containing a precipitated zinc oxide precursor and a precipitated aluminum oxide precursor, to the two-phase, active zinc oxide containing component, with the resulting sorbent having a sodium level within a desired range.

Shen, Jian-Ping↗
DOE OSTI2024

SAM Code Enhancements for Modeling of Liquid Metal-Cooled Fast Reactor Concepts

The SAM code is under development and supported by DOE-NE’s Nuclear Energy Advanced Modeling and Simulation program as a modern system-level modeling and simulation tool for advanced non-light water reactor safety analyses. These advanced reactor concepts incorporate novel and improved approaches to achieve safety and economic feasibility. This report summarizes two major efforts in addressing the modeling gaps in SAM for liquid-metal-cooled fast reactor (LMFR) applications, i.e. thermal mixing and stratification phenomena in large pools and corrosion-oxidation of components in flowing lead. A new one-dimensional model for thermal mixing and stratification effects in large pools and enclosures is developed and implemented. Thermal mixing and stratification occur when fluid enters a pool at a temperature different than the bulk fluid itself, a scenario often encountered during transients in pool-type systems. These phenomena are critical for the safety of reactors, impacting phenomena like natural circulation, which is essential for passive cooling. The improved model in SAM addresses limitations of state-of-the-art approaches by combining one-dimensional (1D) channels, representing the coolant jet flow, with lumped-parameter zero-dimensional (0D) pools, representing the rest of coolant in the tank. Energy exchange between the 1D jet and the 0D pools is based on heat transfer correlations calibrated against 3D simulations. It is verified that this model can handle various flow configurations, including hot jets in colder pools, cold jets in hotter pools, and the presence of features like ceilings, free surfaces, and obstacles. Additionally, validation against experimental data demonstrates the ability of the model to capture mixing and stratification effects in a wide range of conditions. The flexibility and improved accuracy of the new model make it a valuable tool for reactor safety analysis, allowing for the simulation of different geometries encountered in advanced reactors. A system-level corrosion modeling capability is developed and implemented in SAM to support Lead Fast Reactor (LFR) development. Although the initial focus of this capability will be on LFR application, this can later be expanded to include other liquid metals such as Lead-Bismuth Eutectic (LBE) and PbLi. This report summarizes the common corrosion mitigation strategies and outlines the progress on implementing and validating a corrosion-oxidation model in SAM. Verification and validation of the corrosion-oxidation portion of the model was performed using analytical solution and measured data from samples tested in the non-isothermal pumped lead loop at IPPE Obninsk. The iron transport and corrosion/precipitation portion of the model was assessed using an analytical model and measured corrosion depths from a natural convection lead loop experiment performed at CEA. It is demonstrated that the model implemented in SAM performed well in these assessments.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2022

Investigation of the Interactions Between Low-Temperature Ag Paste Components and SiO2/Poly-Si(n) Contacts and the Impact on Contact Properties

Reducing poly-Si thickness to minimize parasitic absorption on a light-receiving side of a TOPCon solar cell without suffering voltage losses after metallization is a challenge in optimizing TOPCon performance. As an alternative to fire-through pastes, we investigate low-temperature Ag paste to SiO2/poly-Si passivating contacts through fabrication of electrical test structures to characterize the passivation quality and electrical transport across the metallized interface. With current paste chemistries, we find that solvent wetting of the poly-Si surface before evaporation and non-volatile binder resin adhesion to the surface after curing are major impediments which prevent Ag contact formation. However, low- resistance poly-Si/Ag interfaces formed with physical vapour deposition similarly degrade after annealing, indicating contacting issues related to the Ag content even in the absence of the organic paste components.

low temperature Ag paste↗
DOE OSTI2025

Equilibrium Separation of Siloxanes in Metal–Organic Frameworks

We present an in silico assessment of metal–organic frameworks (MOFs) for the equilibrium separation of linear and cyclic siloxanes. Using a combination of configurational bias/continuous fractional component Monte Carlo (CB/CFCMC) simulations and Ideal Adsorbed Solution Theory (IAST), we investigated the adsorption of both equimolar and nonequimolar mixtures of linear and cyclic siloxanes in a selection of synthesizable MOFs with medium to large pore volumes. We showed that configurational entropy effects drive the preferential adsorption of linear siloxanes over cyclic siloxanes. Based on synthesizability metrics we identified ZIF-70 as a promising adsorbent for the separation of linear and cyclic siloxanes. Self-diffusivities of linear and cyclic siloxanes in ZIF-70 calculated from molecular dynamics simulations show that equilibrium can be reached on reasonable time scales. We explored vacuum-temperature swing adsorption (VTSA) as a potential method for the recovery of adsorbed linear siloxanes from ZIF-70, achieving a 75% reduction in adsorbed phase concentration. Additionally, we demonstrated that supercritical CO 2 offers an alternative desorption strategy by displacing adsorbed linear siloxanes in ZIF-70 at pressures above 200 bar driven by entropy effects.

Adsorption↗
DOE OSTI2022

Structural measurement of electron-phonon coupling and electronic thermal transport across a metal-semiconductor interface

Scattering of energetic charge carriers and their coupling to lattice vibrations (phonons) in dielectric materials and semiconductors are crucial processes that determine the functional limits of optoelectronics, photovoltaics, and photocatalysts. The strength of these energy exchanges is often described by the electron-phonon coupling coefficient, which is difficult to measure due to the microscopic time- and length-scales involved. In the present study, we propose an alternate means to quantify the coupling parameter along with thermal boundary resistance and electron conductivity by performing a high angular-resolution time-resolved X-ray diffraction measurement of propagating lattice deformation following laser excitation of a nanoscale, polycrystalline metal film on a semiconductor substrate. Our data present direct experimental evidence for identifying the ballistic and diffusive transport components occurring at the interface, where only the latter participates in thermal diffusion. This approach provides a robust measurement that can be applied to investigate microscopic energy transport in various solid-state materials.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Charge transfer dynamics and interlayer exciton formation in MoS 2 /VOPc mixed dimensional heterojunction

Mixed-dimensional van der Waals heterojunctions involve interfacing materials with different dimensionalities, such as a 2D transition metal dichalcogenide and a 0D organic semiconductor. These heterojunctions have shown unique interfacial properties not found in either individual component. Here, we use femtosecond transient absorption to reveal photoinduced charge transfer and interlayer exciton formation in a mixed-dimensional type-II heterojunction between monolayer MoS 2 and vanadyl phthalocyanine (VOPc). Selective excitation of the MoS 2 exciton leads to hole transfer from the MoS 2 valence band to VOPc highest occupied molecular orbit in ~710 fs. On the contrary, selective photoexcitation of the VOPc layer leads to instantaneous electron transfer from its excited state to the conduction band of MoS 2 in less than 100 fs. Further, this light-initiated ultrafast separation of electrons and holes across the heterojunction interface leads to the formation of an interlayer exciton. These interlayer excitons formed across the interface lead to longer-lived charge-separated states of up to 2.5 ns, longer than in each individual layer of this heterojunction. Thus, the longer charge-separated state along with ultrafast charge transfer times provide promising results for photovoltaic and optoelectronic device applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

From photosynthetic electron flow to gene regulation: redox signal transduction in cyanobacteria

In cyanobacteria, the free-living ancestors of chloroplasts, photosynthesis simultaneously sustains growth and generates reactive oxygen species (ROS) that damage proteins, lipids, and DNA when light capture outpaces carbon fixation. Maintaining redox balance, therefore, requires cells to read photosynthetic electron flow as a signal that continuously tunes gene expression and protein activity. This review traces how these redox signals are transduced to transcription machinery through three routes: membrane-localized sensors, cytoplasmic redox sensors downstream of photosystem I, and ROS generated when electron sinks are saturated. Membrane-bound histidine kinases (two-component systems) relay the redox state of the plastoquinone pool to control photosystem remodeling, pigment biosynthesis, and circadian timing. Cytoplasmic one-component regulators, by contrast, sense redox directly through thiol-disulfide switches, glutathionylation, iron-sulfur clusters, and metal-catalyzed oxidation to control photosystem-cofactor, electron-carrier, and transition-metal homeostasis. Because many of these regulators persist in algal and plant chloroplasts, cyanobacteria illuminate principles of redox control across photosynthetic eukaryotes. Post-transcriptional and translational control further shapes redox-dependent gene expression programs through transcript stability, ribosome assembly, and translation initiation, extending redox regulation beyond transcription to every step of protein synthesis and even activity modulation. Finally, we connect redox regulation to photosynthetic physiology, stress resilience, and the rational engineering of cyanobacteria for sustainable bioproduction.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Evaluation of Composite Structural Materials for Heliostat Cost Reduction

Structures manufactured from steel comprise up to 40% of a CSP heliostat's cost. Composite structures represent a potential opportunity to reduce this cost. A reference heliostat structural model has been created with a reflector area of 25m 2 . The design, constructed of low-carbon steel, pro-vides baseline deflection and stiffness under a 21 m/s operating wind speeds. Wind loads on the tracker structure are determined for both operating and stow conditions. An established roster of suitable metal alternative materials is considered including: glass, basalt, and carbon reinforced polymer (GFRP, BFRP, and CFRP respectively). Three heliostat components are investigated: the pylon, torque tube, and the purlin-strut assembly. Composite material properties are substituted for those of steel, and the beams are re-sized to match the original steel components' deflection under given wind loads. Weight and cost changes resulting from this resizing are evaluated. It is found that GFRP and BFRP represent a 3X–6X cost premium for the same operating deflection character-istics as steel across all three investigated component classes; with weight reduction only achieved for the purlin-strut assembly. While CFRP components can achieve approximately 25–75% weight savings depending on the application, this comes with a 9X–14X cost increase over the steel base-line for tube-type structures and roughly 5X cost increase when replacing c-channel structures. This work does not rule out the possibility of cost savings when the heliostat design and kinematics to take advantage of composites' specific properties.

14 SOLAR ENERGY↗
DOE OSTI2023

Microtructure and Low-Cycle Fatigue Behavior of Additively Manufactured 316L Stainless Steel at 300°C

Metal additive manufacturing (AM) or 3D printing has the potential to transform the nuclear industry by producing high quality components faster and cheaper, thus enhancing the operating performance of current plants and advanced reactors. Two AM 316L tubes - intended to act as surrogates for complex components where nuclear equipment vendors are more likely to consider AM technologies - were printed using a Renishaw AM400 Laser Powder Bed Fusion (L-PBF) system. The porosity of the as-built material was found to be small, 0.06%. In prior research, the fatigue and corrosion fatigue crack growth rate (CGR) response of the AM specimens in the as-built condition was found to be similar to that expected for conventional alloys, and extremely resistant to stress corrosion cracking (SCC). The present research demonstrates that the low-cycle fatigue behavior of the AM material in air is similar to that of wrought stainless steel at LWR temperature. The data suggest that low porosity levels do not have a significant effect on the fatigue performance of AM materials. Taken together, all data generated to date demonstrate that the use of AM alloys in a nuclear environment is plausible. Additional research on environmental fatigue, crack initiation, and SCC needs to be conducted to provide the performance information needed to qualify AM materials for LWR applications.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Integrated Off-Gas System Tests on the DM1200 Melter with RPP-WTP LAW Sub-Envelope C1 Simulants (Final Report)

The report documents melter and off-gas performance results obtained on the DM1200 during processing of LAW Sub-Envelope Cl feed. The principal objectives of the DM1200 melter testing were to demonstrate suitable processing and production rates for LAW Cl feed; characterize the glass product for elemental composition, the presence of organic compounds, and TCLP response for metals; and measure destruction and removal efficiencies (DREs) for organic compounds across the melter and off-gas treatment components. The feed was spiked with organic compounds for part of the testing duration. Data were collected for both process engineering needs and to support regulatory activities. The data needed for regulatory support were collected using EPA methods and independent data analyses and data checking were performed.

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

The Binary INformation from Open Clusters Using SEDs (BINOCS) Project: Reliable Photometric Mass Determinations of Binary Star Systems in Clusters

We introduce a new binary detection technique, Binary INformation from Open Clusters using SEDs (binocs), which we show is able to determine reliable stellar multiplicity and masses over a much larger mass range than current approaches. This new technique determines accurate component masses of binary and single systems of the open clusters’ main sequence by comparing observed magnitudes from multiple photometric filters to synthetic star spectral energy distributions (SEDs), allowing us to systematically probe the binary population for low-mass stars in clusters for eight well-studied open clusters. We provide new deep, infrared photometric catalogs (1.2–8.0 μm) for the key open clusters NGC 1960 (M36), NGC 2099 (M37), NGC 2420, and NGC 2682 (M67), using observations from NOAO/NEWFIRM and Spitzer/IRAC. Using these deep multiwavelength catalogs, the binocs method is applied to these clusters to determine accurate component masses for unresolved cluster binaries. We explore binary fractions as a function of cluster age, Galactic location, and metallicity.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Compositionally Complex Spinel Oxides as Conversion Anodes for Lithium-Ion Batteries

Four different compositionally complex multicomponent M 3 O 4 spinels containing 5–8 distinct metals were prepared by a rapid combustion synthesis method or solvothermal synthesis. High resolution synchrotron X-ray diffraction patterns show that the materials consist primarily of spinel phases with small amounts of rock salt impurities, and, in several samples, a minor amount of contracted spinel phase. Materials were investigated as conversion anodes in lithium half-cells and delivered significantly higher capacities than two-component MgFe 2 O 4 made by combustion synthesis. X-ray absorption near-edge structure (XANES) was used to estimate the oxidation states of the metals in the pristine, lithiated (discharged) and delithiated (charged) materials to better understand the redox processes in half cells that led to the improvement. Co, Ni, and Zn are reduced to low oxidation states during lithiation (cell discharge) but are only partially oxidized. The presence of a conductive metallic network that forms after lithiation is thought to account for the improved electrochemical characteristics. Interestingly, in most of the samples, iron is not fully reduced during initial lithiation unlike what happens with a set of related high entropy spinel ferrites studied previously. Finally, the improved electrochemical properties of these materials illustrates both the advantages of complexity and the difficulties in predicting their behavior.

25 ENERGY STORAGE↗
DOE OSTI2021

Metal Chalcogenides for Neuromorphic Computing: Emerging Materials and Mechanisms

The approaching end of Moore's Law scaling has significantly accelerated multiple fields of research including neuromorphic-, quantum-, and photonic computing, each of which possesses unique benefits unobtained through conventional binary computers. One of the most compelling arguments for neuromorphic computing systems is power consumption, noting that computations made in the human brain are approximately 106 times more efficient than conventional CMOS logic. This review article focuses on the materials science and physical mechanisms found in metal chalcogenides that are currently being explored for use in neuromorphic applications. We begin by reviewing the key biological signal generation and transduction mechanisms within neuronal components of mammalian brains and subsequently compare with observed experimental measurements in chalcogenides. With robustness and energy efficiency in mind, we will focus on short-range mechanisms such as structural phase changes and correlated electron systems that can be driven by low-energy stimuli, such as temperature or electric field. We aim to highlight fundamental materials research and existing gaps that need to be overcome to enable further integration or advancement of metal chalcogenides for neuromorphic systems.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Redox-homogeneous, gel electrolyte-embedded high-mass-loading cathodes for high-energy lithium metal batteries

Lithium metal batteries have higher theoretical energy than their Li-ion counterparts, where graphite is used at the anode. However, one of the main stumbling blocks in developing practical Li metal batteries is the lack of cathodes with high-mass-loading capable of delivering highly reversible redox reactions. To overcome this issue, here we report an electrode structure that incorporates a UV-cured non-aqueous gel electrolyte and a cathode where the LiNi 0.8 Co 0.1 Mn 0.1 O 2 active material is contained in an electron-conductive matrix produced via simultaneous electrospinning and electrospraying. This peculiar structure prevents the solvent-drying-triggered non-uniform distribution of electrode components and shortens the time for cell aging while improving the overall redox homogeneity. Moreover, the electron-conductive matrix eliminates the use of the metal current collector. When a cathode with a mass loading of 60 mg cm -2 is coupled with a 100 µm thick Li metal electrode using additional non-aqueous fluorinated electrolyte solution in lab-scale pouch cell configuration, a specific energy and energy density of 321 Wh kg -1 and 772 Wh L -1 (based on the total mass of the cell), respectively, can be delivered in the initial cycle at 0.1 C (i.e., 1.2 mA cm -2 ) and 25 °C.

25 ENERGY STORAGE↗
DOE OSTI2023

Aluminum-cerium-manganese alloy embodiments for metal additive manufacturing

Disclosed herein are embodiments of an Al—Ce—Mn alloy for use in additive manufacturing. The disclosed alloy embodiments provide fabricated objects, such as bulk components, comprising a heterogeneous microstructure and having good mechanical properties even when exposed to conditions used during the additive manufacturing process. Methods for making and using alloy embodiments also are disclosed herein.

Allard, Lawrence F.↗
DOE OSTI2026

Short and medium range structure in elastic deformation of metallic and covalent glasses

Here, we present a concise methodology to analyze structural response to the applied stress in amorphous solids, including metallic glasses (MG), glassy selenium, silica and polycarbonate, using high energy x-ray diffraction and atomic pair distribution function (PDF) analysis. To assess the structural anisotropy induced by applied axial stress, diffraction data were expanded into spherical harmonics. Using Bessel transformation, components of the structure function were converted into isotropic and anisotropic PDFs. The PDFs were compared to the expected model behavior for ideal elastic deformation to separate homogeneous affine strain from local non-affine strains. In metallic glass the range of non-affine deformation is limited to the nearest neighbor shell, suggesting local strain relaxation under stress that occurs even in the elastic regime. Beyond the second atomic shell strain is uniform. However, in glassy silica, polycarbonate and selenium strong local bonding inhibits local displacements and strain in short range order is accommodated by rotation of local units. Interestingly, beyond a molecular unit, deformation in covalent systems is similar to MG, and response of the medium range order scales with the macroscopic stress.

glassy structure↗
DOE OSTI2022

The chemical composition of globular clusters in the Local Group

We present detailed chemical abundance measurements for 45 globular clusters (GCs) associated with galaxies in (and, in one case, beyond) the Local Group. The measurements are based on new high-resolution integrated-light spectra of GCs in the galaxies NGC 185, NGC 205, M 31, M 33, and NGC 2403, combined with reanalysis of previously published observations of GCs in the Fornax dSph, WLM, NGC 147, NGC 6822, and the Milky Way. The GCs cover the range -2.8 < [Fe/H] < -0.1 and we determined abundances for Fe, Na, Mg, Si, Ca, Sc, Ti, Cr, Mn, Ni, Cu, Zn, Zr, Ba, and Eu. Corrections for non local thermodynamic equilibrium effects are included for Na, Mg, Ca, Ti, Mn, Fe, Ni, and Ba, building on a recently developed procedure. For several of the galaxies, our measurements provide the first quantitative constraints on the detailed composition of their metal-poor stellar populations. Overall, the GCs in different galaxies exhibit remarkably uniform abundance patterns of the α, iron-peak, and neutron-capture elements, with a dispersion of less than 0.1 dex in [α/Fe] for the full sample. There is a hint that GCs in dwarf galaxies are slightly less α-enhanced (by ~0.04 dex on average) than those in larger galaxies. One GC in M 33 (HM33-B) resembles the most metal-rich GCs in the Fornax dSph (Fornax 4) and NGC 6822 (SC7) by having α-element abundances closer to scaled-solar values, possibly hinting at an accretion origin. A principal components analysis shows that the α-element abundances strongly correlate with those of Na, Sc, Ni, and Zn. Several GCs with [Fe/H] < -1.5 are deficient in Mg compared to other α-elements. We find no GCs with strongly enhanced r-process abundances as reported for metal-poor stars in some ultra-faint dwarfs and the Magellanic Clouds. The similarity of the abundance patterns for metal-poor GCs in different environments points to similar early enrichment histories and only allow for minor variations in the initial mass function.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Tritium Extraction from FLiBe using a Permeation Against Vacuum (PAV): Impact of Surface Potentials, Currents, and Coupling PAV to Sacrificial Anodes

Savannah River National Laboratory (SRNL) is exploring a concept of pairing a LiF-BeF2 (FLiBe) immersed Permeation Against Vacuum (PAV) tritium extraction system with a sacrificial anode. Several fusion concepts utilize FLiBe for tritium breeding, and breeding of tritium would occur from neutron interactions with the Li component, creating corrosive TF and/or T2. In absence of a redox buffered system, the TF would be able to attack containment materials until neutralized. One way to neutralize TF is to contact it with an active metal such as Be or Li which would preferentially combine with the fluorine in the TF to form BeF2 or LiF, respectively, and resulting in T2. When the active metal (e.g., Be) is oxidized, it will provide electrons, when T in TF is reduced and forms T2, it needs electrons. SRNL proposes to electrically link these two reactions and with the PAV to help drive the reactions faster than on their own and potentially increase T2 dissociation. In a soluble redox salt buffered system, it is expected that with sufficient buffering, T2, may form more rapidly and the core components would be more protected, but the soluble redox salt buffer would need to be occasionally regenerated, which could be accomplished by again contacting the salt with an active metal such as Be or Li, although in this case the cathodic reaction would be electrons coming from the shift in oxidative state of the redox buffer. The exploration of potential and current effects on the PAV and impacts of redox agents will be discussed.

Olson, Luke C.↗