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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 1,045 records · Page 58
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Molecular Layer Deposition of Crosslinked Polymeric Lithicone for Superior Lithium Metal Anodes

In this work, we for the first time developed a novel lithium-containing crosslinked polymeric material, a lithicone that enables excellent protection effects over lithium (Li) metal anodes. This new lithicone was synthesized via an accurately controllable molecular layer deposition (MLD) process, in which lithium tert -butoxide (LTB) and glycerol (GL) were used as precursors. The resultant LiGL lithicone was analyzed using a suite of characterizations. Furthermore, we found that the LiGL thichicone could serve as an exceptional polymeric protection film over Li metal anodes. Our experimental data revealed that the Li electrodes coated by this LiGL lithicone can achieve a superior cycling stability, accounting for an extremely long cyclability of >13,600 Li-stripping/plating cycles and having no failures so far in Li/Li symmetric cells at a current density of 5 mA/cm 2 and an areal capacity of 1 mAh/cm 2 . We found that, with a sufficient protection by this LiGL coating, Li electrodes could realize long-term stable cyclability with little formation of Li dendrites and solid electrolyte interphase. This novel LiGL represents a facile and effective solution to the existing issues of Li anodes and potentially paves a technically feasible route for lithium metal batteries.

Meng, Xiangbo↗
DOE OSTI2025

Understanding the Electronic Behavior of f-Element Intermetallics

Due to their partially filled f-orbitals, lanthanide and actinide intermetallic materials exhibit intriguing electronic, structural, and magnetic properties. These materials provide a unique platform to explore exotic magnetic and quantum phenomena that arise from their strongly correlated f-electrons, offering insights into f-electron behavior. Incorporating light elements such as boron and carbon can significantly impact the electronic, chemical, and physical properties of these materials, with varying influence between lanthanides and actinides due to the more localized f-electrons in lanthanides. In this work, lanthanide-based intermetallic single crystals containing light atoms were synthesized using the molten metal flux growth method. In this method, one or more low-melting metals such as aluminum, gallium, tin, and bismuth are used in excess as the reaction medium. This solution-state approach allows for lower reaction temperatures compared to solid-state reactions and enables the isolation of kinetic products rather than thermodynamically stable compounds. The synthesized crystals were analyzed using an extensive array of analytical and computational characterization techniques, including single crystal X-ray diffraction, scanning electron microscopy, energy-dispersive spectroscopy, magnetization measurements, and density functional theory calculations. These analyses provided detailed insights into the structural and magnetic properties of the synthesized materials.

37 - INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL C↗
DOE OSTI2023

Safety perceptions of solid-state lithium metal batteries

Safety concerns hamper the wide application of lithium-ion batteries (LIBs) in the fields of electric vehicles and stationary energy storage. As the blame of the battery thermal runway was widely cast on the flowable, volatile, and flammable nature of liquid organic electrolytes, solid-state lithium batteries with solid and nonflammable electrolytes are highly praised for potentially better safety characteristics. Furthermore, solid-state lithium metal batteries (SS-LMBs) may become an ultimate solution for safe, high-energy density batteries. Whether SS-LMBs are safe enough to meet emerging demands remains unclear, as recent publications have presented serious safety concerns at both the material and device levels. In conclusion, this review summarizes recent investigations into SS-LMB safety, and systematic analysis and discussion are provided in this discussion of the safety concerns of SS-LMBs.

25 ENERGY STORAGE↗
DOE OSTI2025

Improved liquid lithium surfaces in the Lithium Tokamak Experiment-β

Advances in vacuum, surface, and lithium conditioning techniques throughout five years of continuous operations in LTX-β have produced mirror-like liquid lithium surfaces and demonstrated the feasibility of high-performance tokamak discharges fully surrounded by liquid metal without significant operational problems. Improvements in conditioning techniques and procedures, including many weeks of baking and accumulation of 70 g of Li, led to reduced residual gasses and clean Li surfaces - all while still maintaining enough operational flexibility for multiple in-vacuum diagnostic upgrades and calibrations. Coatings had a visibly clean appearance, with reflective liquid metal demonstrating good wetting and surface adhesion with films that were now macroscopically thick. Solidified Li showed large crystal grains, while surface science measurements observed reduced impurities in the lithium. Steadily improved plasma performance was achieved with liquid lithium, with discharges able to match solid Li in terms of evolution of I p and n e , including rapid density pumping indicating low recycling. There were indications of moderately increased Li impurity influx, though few significant disturbances by the large liquid surfaces on tokamak operations over hundreds of discharges. Liquid metal plasma facing components are a potential solution to the extreme heat and particle fluxes that could cause unacceptable damage to solid materials, while liquid lithium also has the potential for greatly increased confinement in the low-recycling regime. While many liquid metal approaches are possible, and numerous experiments have been conducted in test stands and small modules in fusion devices, LTX-β is the only tokamak operated while fully surrounded by liquid metal.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Evolution of silicate coordination in architected amorphous and crystalline magnesium silicates during carbon mineralization

Advancing durable solutions for carbon storage and removal at the gigaton scale to produce solid carbonates via carbon mineralization requires harnessing earth abundant magnesium silicate resources. Calibrated insights linking the structural and morphological features of earth abundant amorphous and crystalline magnesium silicate phases to their reactivity are essential for scalable deployment but remain underdeveloped. To resolve the influence of silica coordination and mass transfer on carbon mineralization behavior, magnesium silicates bearing amorphous and crystalline phases (AC Mg-silicate) are synthesized. The structural and morphological transitions starting from colloidal precursors to their final synthesized form on heating are delineated using operando ultra small/small/wide angle X-ray scattering (USAXS/SAXS/WAXS) measurements. The evolution of the silicate phases on carbon mineralization of AC Mg-silicate is contrasted with that of highly crystalline Mg-silicate (HC Mg-silicate) when reacted at 200 °C and a CO 2 partial pressure of 20 atm in water and 1 M NaHCO 3 solution in stirred and unstirred environments. These experimental conditions are analogous to those of the water–gas-shift reaction for sustainable recovery of H 2 with inherent carbon mineralization. Enhancement in the extent of carbon mineralization by 13.3–19.5% noted in the presence of NaHCO 3 compared to water in AC and HC Mg-silicate with and without stirring, is attributed to the buffering effect which aids simultaneous silicate dissolution and carbon mineralization. Enhanced extents of carbon mineralization in the presence of NaHCO 3 correspond to the formation of MgSiO 3 and SiO 2 phases from the starting Mg 2 SiO 4 precursors in AC and HC Mg-silicate. Unlocking these silicate transformations during carbon mineralization by harnessing architected Mg-silicate precursors reveals the feasibility of integrating these chemical pathways with sustainable H 2 conversion pathways with inherent carbon mineralization.

Gao, Xun [Cornell Univ., Ithaca, NY (United States↗
DOE OSTI2020

Intermediate Species in the Crystallization of Sodium Aluminate Hydroxy Hydrates

In highly alkaline “water-in-salt” Na 2 O/Al 2 O 3 /H 2 O solutions where the monomeric Al(OH) 4 - anion dominates, isolation of transitional species that seed crystallization of sodium aluminate salt hydrates has been challenging. For example, discrimination of dimeric [e.g., Al 2 O(OH) 6 2- ] from species via 27 Al nuclear magnetic resonance (NMR) spectroscopy is limited via fast interconversion through hydrolysis and condensation reactions. Despite this, using magic-angle spinning NMR ( 27 Al MAS NMR) at high magnetic field strengths (14.1 and 20.0 T) on crystals of nonasodium bis(hexahydroxyaluminate) trihydroxide hexahydrate [NSA, Na 9 [Al(OH) 6 ] 2 ·3(OH)·6(H 2 O)], we observed a 27 Al resonance consistent with Na 2 Al 2 O(OH) 6 . This tetrahedral dimeric species was also identified in the mother liquor by Raman spectroscopy while remaining expectedly unresolved by high-field liquid-state 27 Al NMR. Its substantial abundance in the mother liquor and as either an interstitial or an adsorbate on precipitated solids suggest that it plays a crucial role in NSA crystallization. Here, our detailed characterization, which includes single-pulse 27 Al MAS NMR, nutation 27 Al MAS NMR, and multiple quantum 27 Al MAS NMR, provides new molecular insights into how aluminate transitions from tetrahedral in solution to octahedral in solid. This understanding could ultimately lead to better predictions of aluminum phase change behavior in caustic sodium hydroxide with wide-ranging technological and environmental implications.

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

Analysis of Tank 38H (HTF-38-22-91, -92) and Tank 43H (HTF-43-22-93, -94) Samples for Support of the Enrichment Control and Corrosion Control Programs

SRNL analyzed samples from Tank 38H and Tank 43H to support ECP and CCP. The results indicate the concentrations of most soluble species in the Tank 38H surface sample increased slightly from the previous surface sample. The Tank 38H sub-surface sample shows changes in concentration for soluble species in the solution with some increasing and some decreasing. The current Tank 38H sub-surface sample contains more sludge solids than the previous sample based on visual appearance. The small differences in the concentrations of major components between the Tank 38H surface and sub-surface samples indicate only minimal stratification of solution species within the tank. The Tank 43H surface and sub-surface samples are similar in composition to the previous samples. The similar solution compositions measured in the Tank 43H surface and sub-surface samples indicate a minimal stratification within the tank. The total uranium and plutonium in the current Tank 38H surface sample remains similar to the previous analysis. The Tank 38H sub-surface sample shows an increase in uranium and plutonium concentrations compared to the previous sample likely because of an increase in sludge solids in the current sample. The total uranium concentration in the two Tank 43H samples is essentially unchanged from previous sample results. The plutonium concentration in the Tank 43H surface sample is similar to the previous sample results while the plutonium in the Tank 43H sub-surface sample increased relative to the previous analysis. The sum of the major cations versus the sum of the major anions shows a difference of <10% for both samples from Tank 38H and for both samples from Tank 43H providing an indication of good data quality for the non-radioactive analytes in the samples. The silicon concentrations measured in the Tank 38H sub-surface sample increased compared with the previous sample results likely due to the presence of more sludge solids in the current sample. The Tank 38H surface sample silicon concentrations is similar to the previous sample results. The Tank 43H surface and sub-surface sample silicon concentrations both increased compared to the previous sample results. The samples analyzed from Tanks 38H and 43H show silicon concentrations ranging from 61.5 to 97.3 mg/L.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Innovative mercury treatment technology options for the liquid waste system at the Savannah River Site: scoping studies

The Savannah River Site (SRS) Liquid Waste System (LWS) contains liquids, salts and sludges that are currently being processed into final wasteforms for disposition, specifically, waste glass for sludges, solids and liquids containing high levels of radioactivity, and saltstone grout for low activity decontaminated liquid solutions. The LWS also contains approximately 60,000 kg of mercury present in the following physical and chemical forms, specifically: a) ionic inorganic mercury, organomercury (e.g., methylmercury), and other minor components found in LWS fluids b) mercury solids such as oxides, hydroxides, amalgams sulfides and sorbed mercury, c) accumulations of dense liquid elemental mercury, and d) vapor phase elemental and organomercury mercury found in tank headspace gas and in evaporators. An effective and proactive management strategy of the mercury present in the LWS is needed to support processing of LWS wastes into glass and saltstone. Sustainable processing of the LAWS to completion requires mercury removal from the LWS at a rate of approximately 2,900 kg/yr. This removal can be accomplished through existing mercury treatment systems or newly implemented LWS “purge points”. The chemical speciation of mercury has emerged as the key factor that controls mercury behavior in the LWS. For example, past studies demonstrated that mercury speciation is adversely impacting the performance of existing removal systems so that significant levels of mercury are recycled from the Defense Waste Processing Facility (DWPF) back to the tank farm. Consequently, mercury concentrations have slowly increased in the LWS tank fluids over time. The presence of organo-mercury has also been identified as the cause of increased mercury leaching from saltstone. In response to these challenges, the Department of Energy (DOE) Office of Environmental Management (EM-TD) Technology Development Program has supported a series of scoping studies predicated on manipulating or controlling mercury speciation and mercury behaviors within the constraints of LWS waste chemistry and safety conditions. The intent of these studies was to rapidly triage potential technology options and develop a technically based go / no go recommendation for further work. This composite report presents the results of three scoping studies: 1) advanced photooxidation processes, 2) chemical reduction, and 3) mercury getters.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Diffusion bonding of tungsten-vanadium-zirconium using vacuum hot pressing for the development of a low decay heat cladding solution for tungsten spallation targets

Tantalum has been used as cladding material for water-cooled solid tungsten targets at many leading spallation neutron production facilities thanks to its high neutron yield, manageable radiation damage behavior, and excellent corrosion/erosion resistance in radiation environments. However, from a safety hazard perspective, thermal neutron capture of tantalum in spallation environments causes a high specific decay heat in the target volume, which often becomes a limiting factor in increasing the beam power on the target. In this paper, we studied vacuum hot pressing (VHP) parameters to diffusion bond zirconium to tungsten to explore the feasibility of using zirconium alloys as an alternative cladding material to tantalum. Zirconium alloys have long been used as cladding material for early generation solid spallation targets, and nuclear fuel rods. In spallation environments zirconium has significantly lower decay heat with shorter decay time compared to tantalum. The hot isostatic pressing (HIP) of zirconium and tungsten is known to produce limited bonding quality due to the formation of the brittle ZrW2 intermetallic layer. To overcome this problem, placing a vanadium interlayer between tungsten and zirconium has been proposed by exploring parameter space in binary alloy phase diagrams. Under the VHP conditions, 860 ◦C at 70 MPa for 4 hours, Zr-V and V-W showed good diffusion bonding, which demonstrates the feasibility of a single step HIP process to make the zirconium alloy clad tungsten spallation volumes.

Lee, Yong Joong↗
DOE OSTI2021

Analytic Binary Alloy Volume–Concentration Relations and the Deviation from Zen’s Law

Alloys expand or contract as concentrations change, and the resulting relationship between atomic volume and alloy content is an important property of the solid. While a well-known approximation posits that the atomic volume varies linearly with concentration (Zen’s law), the actual variation is more complicated. Here we use the apparent size of the solute (solvent) atom and the elasticity to derive explicit analytical expressions for the atomic volume of binary solid alloys. Two approximations, continuum and terminal, are proposed. Deviations from Zen’s law are studied for 22 binary alloy systems.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Contact with Electrically Conductive Inert Solids Alters Intrinsic Heterogeneous Brønsted Acid Catalysis

Interfacial electric fields at heterogeneous catalyst surfaces have been demonstrated to alter kinetics of liquid-phase reactions. In these systems, electric fields are generated from applying a potential to the catalyst through connection to a potentiostat or through electron transfer from redox-active species in solution. Here, we demonstrate that catalyst polarization can also occur by simply contacting electrically conductive inert solids, leading to the counterintuitive conclusion that a catalyst particle touching an inert solid can alter intrinsic reaction rates. Using dehydration of 1-methylcyclopentanol to 1-methylcyclopentene catalyzed by Brønsted-acidic carboxylic acid groups on carbon nanotubes as a proof-of-concept probe reaction, we show that catalyst contact with inert, thermally reduced carbon nanotubes leads to order-of-magnitude changes in reaction rate. Furthermore, we demonstrate that these contact-induced effects can also be observed under standard laboratory reaction conditions, where particle-to-particle contact in stirred catalyst powder suspensions is sufficient to demote rates by ∼8-fold. This work provides the foundation for a new method of reaction rate control, which could have implications whenever heterogeneous catalyst particles are in contact with inert materials for liquid-phase reactions in the presence of electrolyte.

Alcohols↗
DOE OSTI2020

Nutrient Capture from Aqueous Waste and Photocontrolled Fertilizer Delivery to Tomato Plants Using Fe(III)–Polysaccharide Hydrogels

Inexpensive and sustainable methods are needed to reclaim nutrients from agricultural waste solutions for use as a fertilizer while decreasing nutrient runoff. Fe(III)–polysaccharide hydrogels are able to flocculate solids and absorb nutrients in liquid animal waste from Confined Animal Feeding Operations (CAFOs). Fe(III)–alginate beads absorbed 0.05 mg g –1 NH 4 + and NO 3 - from 100 ppm solutions at pH = 7, with > 80% phosphate uptake and ~30% uptake of ammonium and nitrate. Ammonium uptake from a raw manure solution (1420 ppm NH 4 + ) showed a significant 0.7 mg g –1 uptake. Tomato plant trials carried out with Fe(III)–alginate hydrogel beads in greenhouse conditions showed controlled nutrient delivery for the plants compared to fertilizer solution with the same nutrient content. Plants showed an uptake of Fe from the gel beads, and Fe(III)–alginate hydrogel beads promoted root growth of the plants. The plants treated with nutrient-loaded Fe(III)–alginate hydrogels yielded comparable tomato harvest to plants treated with the conventional fertilizer solution.

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

Investigating anode off-gas under spark-ignition combustion for SOFC-ICE hybrid systems

Solid oxide fuel cell – internal combustion engine (SOFC-ICE) hybrid systems are an attractive solution for electricity generation. The system can achieve up to 70% theoretical electric power conversion efficiency through energy cascading enabled by utilizing the anode off-gas from the SOFC as the fuel source for the ICE. Experimental investigations were conducted with a single cylinder Cooperative Fuel Research (CFR) engine by altering fuel-air equivalence ratio (φ), and compression ratio (CR) to study the engine load, combustion characteristics, and emissions levels of dry SOFC anode off-gas consisting of 33.9% H 2 , 15.6% CO, and 50.5% CO 2 . The combustion efficiency of the anode off-gas was directly evaluated by measuring the engine-out CO emissions. The highest net-indicated fuel conversion efficiency of 31.3% occurred at φ = 0.90 and CR = 13:1. These results demonstrate that the anode off-gas can be successfully oxidized using a spark ignition combustion mode. The fuel conversion efficiency of the anode tail gas is expected to further increase in a more modern engine architecture that can achieve increased burn rates in comparison to the CFR engine. NO x emissions from the combustion of anode off-gas were minimal as the cylinder peak temperatures never exceeded 1800 K. This experimental study ultimately demonstrates the viability of an ICE to operate using an anode off-gas, thus creating a complementary role for an ICE to be paired with a SOFC in a hybrid power generation plant.

Engineering↗
DOE OSTI2025

Use of Frit‐Disc Crucible Sets to Make Solution Growth More Quantitative and Versatile

The recent availability of step‐edge, frit‐disc crucible sets (generally sold as Canfield Crucible Sets or CCS) has led to multiple innovations associated with the group's use of solution growth. The use of CCS allows for the clean separation of liquid from solid phases during the growth process. This clean separation enables the reuse of the decanted liquid, either allowing for simple, economic, savings associated with recycling expensive precursor elements or allowing for the fractionation of a growth into multiple, small steps, revealing the progression of multiple solidifications. Clean separation of liquid from solid phases also allows for the determination of the liquidus line (or surface) and the creation, or correction, of composition–temperature phase diagrams. The reuse of clean decanted liquid has also allowed to prepare liquids ideally suited for the growth of large single crystals of specific phases by tuning the composition of the melt to the optimal composition for growth of the desired phase, often with reduced nucleation sites. Finally, it is discussed how solution growth and CCS use can be harnessed to provide a plethora of composition–temperature data points defining liquidus lines or surfaces with differing degrees of precision to either test or anchor artificial intelligence and/or machine‐learning‐based attempts to augment and extend the limited experimentally determined database.

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

Analysis of Tank 38h (HTF-38-23-19, -20) and Tank 43H (HTF-43-23-21, -22) Samples for Support of the Enrichment Control and Corrosion Control Programs

SRNL analyzed samples from Tank 38H and Tank 43H to support ECP and CCP. The results indicate the concentrations of most soluble species in the Tank 38H surface sample decreased significantly from the previous surface sample. The Tank 38H sub-surface sample shows changes in concentration for soluble species in the solution with some increasing and some decreasing. The current Thank 38H sub-surface sample contains visible sludge solids similar to the previous sample, i.e., less than 1%, based on visual appearance. The significant differences in the concentrations of major components between the Tank 38H surface and sub-surface samples indicate significant stratification of solution species between these two locations within the tank. Savannah River Mission Completion personnel indicate that ~ 150,000 gallons of Tank 22 supernate were received in Tank 38H since its last analysis during which time the 2H evaporator was not operated, so the observed stratification is expected. The Tank 43H surface and sub-surface samples are similar in composition to the previous samples. The similar solution compositions measured in the Tank 43H surface and sub-surface samples indicate a minimal stratification within the tank. The total uranium and plutonium in the current Tank 38H surface sample remains similar to the previous analysis. The Tank 38H sub-surface sample shows an increase in uranium and plutonium concentrations compared to the previous sample likely because of an increase in sludge solids in the current sample. The total uranium concentration in the Tank 43H surface sample is similar to the previous sample results while the plutonium in the Tank 43H sub-surface sample increased relative to the previous analysis. The sum of the major cations versus the sum of the major anions shows a difference of <10% for both samples from Tank 38H sub-surface sample (174 mg/L) increased compared with the previous sample. The Tank 38H surface sample silicon concentrations (27.5 mg/L) is one-half of the previous sample results. The Tank 43H surface sample silicon concentrations compared to the previous sample results indicate Si in the concentration range of 60 to 83 mg/L. Thus, these current samples analyzed from Tanks 38H and 43H show overall silicon concentrations ranging from 27.5 to 174 mg/L.

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

Molecular Properties and Chemical Transformations Near Interfaces

The properties of bulk water and aqueous solutions are known to change in the vicinity of an interface and/or in a confined environment, including the thermodynamics of ion selectivity at interfaces, transition states and pathways of chemical reactions, and nucleation events and phase growth. Here we describe joint progress in identifying unifying concepts about how air, liquid, and solid interfaces can alter molecular properties and chemical reactivity compared to bulk water and multicomponent solutions. Furthermore, we also discuss progress made in interfacial chemistry through advancements in new theory, molecular simulation, and experiments.

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

Three-Phase Modeling in Sockeye

The heat pipe simulation tool Sockeye is given the capability to allow the presence of the solid phase of the heat pipe working fluid, which is necessary for modeling transients to and from room temperature, since microreactor designs feature high-temperature heat pipes employing metal working fluids. The liquid phase equations are converted to equations for the mixture of liquid and solid phases, with a simple latent heat relation determining the fractions of these phases. This capability is introduced while preserving equivalent solutions for the liquid-vapor regime. Theory is presented, along with numerical examples to illustrate the propagation of a melt front and startup from the solid state.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Analysis of Tank 38H (HTF-38-22-31, -32) and Tank 43H (HTF-43-22-33, -34) Samples for Support of the Enrichment Control and Corrosion Control Programs

SRNL analyzed samples from Tank 38H and Tank 43H to support ECP and CCP. The results indicate the concentrations of most soluble species in the Tank 38H surface sample increased from the previous surface sample. The Tank 38H sub-surface sample shows changes in concentration for soluble species in the solution with some increasing and some decreasing. The current Tank 38H sub-surface sample contains less sludge solids than the previous sample based on visual appearance. The small differences in the concentrations of major components between the Tank 38H surface and sub-surface samples indicate only minimal stratification of solution species within the tank.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗