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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Upcycling Metal(loid) Contaminants to Produce Critical Raw Materials: The Nexus of Water Treatment and Material Criticality

The Critical Raw Materials Act adopted by the European Commission in 2024 signals a growing shift in the societal value of many elements, which has important implications for the water treatment sector. This legislation partly aims to increase production of Critical Raw Materials (CRMs) from waste streams, with many CRMs being elements with which the water sector has decades of experience, such as the notorious contaminant and newly classified CRM, arsenic. In this Perspective, we use arsenic as a case study to explore how water treatment waste can be repurposed to contribute to CRM supply chain requirements. Combining arsenic mass balances for indicative groundwater treatment plants and EU statistics of water use and arsenic compound consumption, we propose that arsenic upcycling integrated with water treatment can help offset imports of arsenic compounds. However, research is now needed to develop more holistic treatment systems that integrate CRM upcycling with contaminant removal and to better understand the political, institutional, and social drivers that can accelerate adoption of such systems at water utilities. With this work, we intend to stimulate a discussion of water treatment as a discipline that can both improve water quality by removing metal(loid) contaminants and generate local sources of CRMs.

Arsenic↗
DOE OSTI2025

U redox state tracked in mineralized hydrothermal carbonate with implications for U-Pb geochronology

U-Pb carbonate geochronology can directly constrain the timing and rates of important geological processes. However, the mechanisms and controls on U incorporation, distribution, and retention in carbonate minerals remain unclear, limiting geological interpretations. Here X-ray absorption spectroscopy (µXAS) and in-situ U-Pb carbonate geochronology are combined to temporally track U distribution and redox state in a porphyry-epithermal system. In this setting, multiple generations of carbonate minerals record fluid conditions and processes which control the solubility and deposition of metals, including U. This novel approach provides the first evidence of both oxidized UO 2 2+ and reduced U 4+ species in temporally distinct generations of carbonate within a single sample. Preservation of two different U oxidation states during discrete precipitation events requires U retentivity within older domains, demonstrating that the U-Pb carbonate geochronometer is robust under hydrothermal conditions. Furthermore, crystal zones with abundant fluid/vapour inclusions linked to boiling processes coincide with relatively high levels of U and favourable U/Pb. Targeting carbonate domains with these textures may therefore increase success in U-Pb geochronology. U-Pb carbonate dating combined with µXAS can track the temporal evolution of processes critical for metal deposition in long-lived and multistage hydrothermal-magmatic ore deposit settings.

58 GEOSCIENCES↗
DOE OSTI2023

A high-capacity Sn metal anode for aqueous acidic batteries

Aqueous acidic batteries as a good choice to respond battery diversity, delivering safety, cost, environmental friendliness and high-power necessary for renewable energy storage. However, the practical adoption is greatly challenged by low-voltage and energy density due to the inadequate metal anode materials. Here we report an interfacial regulated Sn metal anode as the solution of the last piece of the puzzle. In this study, the ease of recycling, low potential, fast redox kinetics, and high capacity of Sn perfectly fit the battery system, and the Sn metal shedding critical issue is successfully suppressed by promoting uniform deposition for added interaction from alloying. Consequently, this reversible Sn anode with 442 mAh g -1 matches well to different types of cathodes. The as-assembled acidic batteries also demonstrate sufficient output voltage (up to 1.7 V), energy density (up to 312 Wh kg -1 based on both electrodes), kinetics (up to 24 C) and stability (up to 2400 cycles).

25 ENERGY STORAGE↗
DOE OSTI2024

Rapid assessment of the creep rupture life of metals: A model enabling experimental design

Prediction of the creep rupture life of engineering metals is critical for qualification and design of new materials. The use of long-term creep tests and the need to quantify the performance variability in a priori similar systems hinder the rapid creep assessment of a given material. Therefore, it is essential to develop methods that can extrapolate the long-term performance of alloys and the associated variability from short-term experiments. To this end, this study introduces a new model which enables the estimation of the rupture life of a material for a given stress and temperature. This model relies on two components. First, a new relation for the minimum creep rate (MCR) of materials is introduced. It includes a stress dependent stress exponent allowing the model to capture the variation of MCR across a wide range of temperatures and stresses. Second, employing the Monkman-Grant (MG) law, we establish a relation between stress, temperature and creep rupture life. Together, these two elements yield a new closed-form mathematical expression for the Larson Miller parameter as a function of stress and temperature. This expression captures the creep rupture time for many metals (Gr91, Copper, Gr122 and 347H) and compares favorably with alternate empirical approaches. The model is then used to assess the minimum duration of creep rates necessary to qualify the material up to 100000h. Furthermore, it is found that depending on the material system, creep tests as few as five limited to 5000 h for steels (Gr91, Gr122, 347H) and 100 h for copper are sufficient to model creep lifetimes. Finally, using a Bayesian inference-based approach to calibrate the model, we demonstrate that variability in rupture life can be captured via the quantification of the uncertainty in the model parameters and extrapolated from a limited number of short to moderately short creep tests; thereby paving the way for accelerated creep testing.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Understanding Trace Iron and Chromium Incorporation During Gibbsite Crystallization and Effects on Mineral Dissolution

Incorporation of pollutants, e.g., heavy metals, or critical elements, e.g., lithium, as impurities in mineral phases can significantly affect their mobility or sequestration in the environment. Even when present at low concentrations, impurities can alter the solubility and reactivity of the host mineral. Here, in this study, we investigate the incorporation of trace amounts of iron (Fe 3+ ) and chromium (Cr 3+ ) during the crystal growth of the aluminum (Al 3+ ) hydroxide, gibbsite, a major component of bauxite ores, an important soil mineral, and a dominant mineral phase in stored radioactive wastes. Using a comprehensive suite of analytical techniques, we show that both Cr 3+ and Fe 3+ can be incorporated into the gibbsite lattice during coprecipitation by replacing Al 3+ in octahedral sites. These small amounts are consistent with limited to no structural isomorphism shared between Al 3+ and Cr 3+ /Fe 3+ hydroxide precipitates, nor room temperature miscibility of their isostructural M 2 O 3 oxide forms, in contrast with oxyhydroxide forms where Al 3+ and Fe 3+ share similar structural topologies. Despite the limited uptake of Cr 3+ /Fe 3+ , we show that these impurities have significant implications for gibbsite dissolution behavior. The limited uptake of Cr 3+ /Fe 3+ (e.g. 0.43% Cr 3+ and 0.4% Fe 3+ ), we show that these impurities have significant implications for gibbsite dissolution behavior and subsequent reactivity in complex environments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Ammonium-coordinated exchanger (ACE) functionalized silica sorbents for recovering/removing aqueous anionic contaminants

There are limited studies of functionalized silica anion exchange sorbents used for critical/heavy metal recovery/removal relative to polymeric and other inorganic materials. This work features ammonium-coordinated exchanger (ACE) anion exchange particle sorbents prepared by either acid-washing epoxy-crosslinked polyethylenimine (PEI) hydrogen bonded within/to a silica particle sorbent (two-step method) or reacting a di-chlorinated crosslinker, α,α-dichloro-p-xylene (DPX), with PEI within silica (single-step method). Energy dispersive X-ray spectroscopy (EDS) and infrared spectroscopy confirmed the presence of -NH 2 + ···Cl - and -NH 3 + ···Cl - groups, which removed oxyanionic species –arsenate, selenate, chromate, sulfate, phosphate, and nitrate– plus bromide from ideal solutions, authentic acid mine drainage (AMD), and authentic flue gas desulfurization (FGD) wastewater. Affinity of the anions for ACE varied across single- and mixed-element solutions. However, affinity for CrO 4 2- was among the highest in both cases. Total anion uptake by the optimized ACE, PEI-E3-HCl_1.1, reached 1.2 mmol anion/g-sorb. (0.56 mmol CrO 4 2- /g), or ∼2.3 mmol negative charge/g-sorb. This was close to the 0.52 mmol CrO 4 2- /g of a commercial anion exchange resin. Near-consistent removal of 20–80 % of each anion from FGD during an eight-cycle adsorption-desorption (1 M NaCl) test predicted good ACE viability for testing under practical conditions at larger scale.

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

Effect of Antagonistic Binder–Catalyst Interactions on Catalytic Activity in Lithium–Sulfur Batteries

Lithium-sulfur (Li-S) batteries are a promising next-generation energy storage solution, as they can reduce reliance on critical transition metals while offering high energy densities. However, their deployment is hindered by low sulfur utilization and the formation/diffusion of lithium polysulfides (LiPSs). While transition-metal catalysts and polymeric binders have been independently developed to enhance redox kinetics and LiPS adsorption, their mutual compatibility has remained largely unexplored. We show here that binder-catalyst interactions can significantly impact catalytic performance. Employing TiO 2 as a generic catalyst, the electrochemical performance is shown to depend strongly on the binder environment. TiO 2 paired with lithiated polyacrylic acid (LiPAA) shows benign interactions, resulting in enhanced cycle life. In contrast, pairing TiO 2 with protonated PAA produces antagonistic interactions that hinder Li 2 S growth. A mechanistic analysis unveils that the carboxylic H atom in PAA promotes COO − coordination to Ti sites, occupying catalytic centers and suppressing LiPS adsorption, increasing charge transfer and diffusion resistances. This phenomenon is observed across multiple catalysts, indicating that COOH-functionalized binders may broadly hinder catalytic activity. Overall, this study underscores the need for holistic cathode design and identifies binder-catalyst compatibility as an important parameter for high-performance Li-S batteries.

25 ENERGY STORAGE↗
DOE OSTI2020

Particle size effects in metallic microparticle impact-bonding

In cold spray processing of metals, the critical velocity for particle bonding is dependent on both intrinsic material properties, such as density and (spall) strength, and extrinsic process parameters, such as the powder particle size. Here, we specifically isolate and investigate particle size effects on the critical velocity for bonding through laser- induced single particle impact experiments and finite element simulations. We also present a predictive framework to correlate particle size and critical velocity. We show that an increase in particle size leads to an increase in the temperature of the jet formed at the interface of the particle and the substrate. This increased temperature locally decreases the spall strength of the material which, in turn, decreases the critical velocity for larger particles.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Mining waste-driven carbon capture via ocean alkalinity enhancement

Ocean alkalinity enhancement (OAE) has emerged as a promising strategy to mitigate ocean acidification and reduce global warming. Traditional metal (e.g., critical materials) mining industries release alkaline waste via mining tailings with high concentrations (99.2%) of calcium and magnesium oxide (CaO, MgO). Incorporating mining waste into OAE processes is less energy intensive than processes relying on calcination of limestone for CaO production. The solubility limit of simulated mining waste in American Society for Testing and Materials (ASTM) seawater is 75 mg⋅L -1 , which can sequester 118 mg of carbon dioxide (CO 2 ). The solubility in seawater retrieved from Sunset Beach, FL was 25 mg⋅L -1 . Changes in pH, total alkalinity, and total inorganic carbon were analyzed to confirm the successful addition of simulated alkaline mining waste without the formation of secondary precipitation. This study proposes a new OAE strategy where a facility is developed nearby ocean waters that mixes alkaline waste with seawater. Subsequently, the seawater is met with previously captured, pure CO 2 to bring the pH back to 8.2 and eliminate the risks of pH shock and secondary precipitation. Technoeconomic analysis estimated an energy requirement of 1.4 GJ per ton of CO 2 stored that resulted in a processing cost of $\$$266 per ton of CO 2 sequestered (4.2 GJ per ton, $\$$807 per ton of CO 2 for real seawater). Results from this study underscore the potential for utilizing mining waste in OAE processes and provide a pathway for practical deployment.

Absorption↗
DOE OSTI2026

Predicting fracture behavior in single crystal nickel using a coupled crystal plasticity phase field damage approach

Understanding the fracture behavior of single crystal metals is critical for predicting material performance under mechanical loading. Here, in this study, we investigate the fracture characteristics of single crystal nickel tensile bars using a crystal plasticity coupled phase field damage (CP-PFD) model. Experimental tensile tests were conducted on 15 specimens spanning five crystallographic orientations and three thickness variants per orientation. The results revealed two distinct fracture modes: brittle fractures with 45-degree angled surfaces and ductile fractures characterized by significant necking. The CP-PFD model successfully replicated these fracture behaviors, demonstrating strong agreement with experimental observations. The model effectively predicted the strain at which necking and fracture occurred, as well as the orientation-dependent fracture mechanisms. By comparing experimental and simulated fracture surfaces, we establish the CP-PFD model as a robust tool for predicting single crystal behavior and damage evolution. This work provides insight into the microstructural dependence of fracture behavior and establishes a predictive framework for modeling orientation-dependent damage evolution in single-crystal nickel.

Crystal plasticity↗
DOE OSTI2025

Quantum sensing for emerging energy technologies

The ability to exploit quantum phenomena has enabled sensing technologies with detection limits below the classical limit. Sensors with applications in energy discovery, production, transportation, and consumption can be enhanced through quantum or hybrid quantum-classical sensors. Here, in this Review, we provide an overview of commercial and emerging quantum sensor platforms and their opportunity areas specific to advanced energy technologies. Key examples include: power grid-enhancing-technologies, where quantum magnetometers can detect powerline and transformer faults; electric vehicle-to-grid applications, where chip-scale atomic clocks can enable grid synchronization; and carbon capture and storage, where quantum gravimeters and single-photo LiDAR can detect microscopic leaks. Quantum sensor deployment requires further research into miniaturization and ruggedization for field deployment, cost-reduction, and workforce development. The maturation of clean energy technologies and quantum sensors provide opportunities for synergy, with the integration of quantum sensors into advanced energy technologies maximizing their security, reliability, and efficiency.

critical metals↗
DOE OSTI2024

Localized modes in the IR phase of QCD

Infrared (IR) dimension function d IR ( λ ) characterizes the space effectively utilized by QCD quarks at Dirac scale λ , and indirectly the space occupied by glue fields. It was proposed that its nonanalytic behavior in thermal reflects the separation of QCD system into an IR component and an independent bulk. Here we study the “plateau modes” in the IR component, whose dimensional properties were puzzling. Indeed, in the recent scenario of transition to IR phase, this low-dimensional plateau connects the Anderson-like mobility edge λ IR = 0 in Dirac spectrum with mobility edges ± λ A . For this structure to be truly Anderson-like, plateau modes have to be exponentially localized, implying that both the effective distances L eff ∝ L γ and the effective volumes V eff ∝ L d IR in these modes grow slower than any positive power of IR cutoff L . Although γ = 0 was confirmed in the plateau, it was found that d IR ≈ 1 . Here we apply the recently proposed technique to the problem. We conclude that a plateau mode of pure-glue QCD at UV cutoff a = 0.085 fm occupies a subvolume of IR dimension zero with probability at least 0.9999, substantiating this aspect of metal-to-critical scenario to a respective degree. Published by the American Physical Society 2024

Astronomy & Astrophysics↗
DOE OSTI2025

CSEWG Meeting Minutes

There were many improvements and additions to ENDF/B-VIII.1. We tested four key moderator materials: Be, HF, FLiBe, and graphite. Be-metal moderated critical assemblies of HEU only see 26 pcm difference. Sd library adds new physics to the TSL which improves the agreement with the benchmark. Other changes besides the TSL impact the benchmark: 235U and 9Be. Free gas change affects library heavily, hundreds of pcm in wrong way – need to look at FG libraries. F and Cl TSLs added to 8.1. A 3k pcm disagreement was seen without new TSL. Adding 8.1 + TSL reduces pcm disagreement A LOT.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Metalliferous Coals of Cretaceous Age: A Review

Critical elements in coal and coal-bearing sequences (e.g., Li, Sc, V, Ga, Ge, Se, Y and rare earth elements, Zr, Nb, Au, Ag, platinum group elements, Re, and U) have attracted great attention because their concentrations in some cases may be comparable to those of conventional ore deposits. The enrichment of critical elements in coals, particularly those of Carboniferous-Permian and Cenozoic ages, have generally been attributed to within-plate (plume-related) volcanism and associated hydrothermal activity. However, Cretaceous coals are not commonly rich in critical elements, with the exception of some (e.g., Ge and U) in localised areas. This paper globally reviewed metalliferous coals from Siberia, the Russian Far East, Mongolia, South America, the United States and Mexico, Canada (Alberta and British Columbia), China, Africa, and Australasia (Victoria, Queensland, New South Wales, South Australia, Northern Territory, New Zealand, Nelson, West Coast, Canterbury, Otago, and Southland). The world-class Ge-U or Ge deposits in North China, Mongolia, and Siberia are the only commercially significant representatives of the Cretaceous metalliferous coals, which are related to bio-chemical reduction of oxidized meteoric, hydrothermal, or sea waters by organic matter of the peat bogs. The common Cretaceous coals worldwide are generally not rich in critical elements because intensive igneous activity led to extensive acidification of terrestrial and marine waters, which are responsible for the low coal metallogenesis during the Cretaceous period, especially the Early Cretaceous time.

58 GEOSCIENCES↗
DOE OSTI2021

Synthesis of Highly Active Pd@Cu–Pt/C Methanol Oxidation Electrocatalysts via Continuous, Co-Electroless Deposition

Controlled deposition of metals is essential for the creation of bimetallic catalysts having predictable composition and character. Continuous co-electroless deposition (co-ED) permits the creation of bimetallic catalysts with predictive control over composition. This method was applied to create a suite of Cu–Pt mixed-metal shell catalysts for use in methanol electrooxidation in direct methanol fuel cell applications (DMFCs). Enhanced performance of Cu–Pt compositions over Pt alone was predicted by existing computational studies in the literature. Experimental evidence from this study supports the bifunctional catalyst explanation for enhanced activity and confirms the optimum Cu:Pt ratio as Cu 3 Pt for this methanol electrooxidation. This ability to control the composition of a bimetallic shell can be extended to other systems where the ratio of two metals is critical for catalytic performance.

preparation↗
DOE OSTI2024

Growth and Stability of Stratiform Carrollite (CuCo2S4) in the Tenke-Fungurume Ore District, Central African Copperbelt

Abstract Carrollite (CuCo2S4) is the main ore mineral of the critical battery metal cobalt, yet, surprisingly, detailed characterization of its thermodynamic properties and of its trace element contents remain sparse in the scientific literature. To fill these knowledge gaps, we generated the first thermodynamic data set for carrollite using well-characterized samples obtained from the stratiform sulfide mineralization style at Fungurume 88 deposit in the Democratic Republic of Congo. Detailed mineralogical investigation of these same samples suggests that carrollite has limited ability to incorporate other ‘sweetener’ elements (except Cu and Ni) by substitution mechanisms. Modeling using CHNOSZ 2.0.0. software and an integrated Cu-Co-S-O thermodynamic data set provides insights into the stability of carrollite relative to other Co-bearing minerals under physicochemical conditions relevant to the Central African Copperbelt. Further exploration of these models indicates that dropping redox potential in the mineralizing system is insufficient to explain the mineral-scale and deposit-scale zonation patterns commonly observed in Cu-Co deposits of the Central African Copperbelt. Instead, factors such as increasing pH, decreasing T, decreasing sulfur activity, or some combination of changing physicochemical parameters may need to be invoked to explain these zonation trends. At the Fungurume 88 deposit, the absence of linnaeite (Co3S4) suggests that ore precipitation occurred at temperatures cooler than 211 °C. From our pH-logfO2 diagrams, and relative to higher temperatures, such a lower T regime is marked by a greater degree of offset between the modeled Cu and Co solubility contours, thus facilitating a more differentiated and zoned distribution of these two metals at the deposit scale. Our models are offered to the geoscience community as exceptionally useful tools for modeling and visualizing the Cu-Co-S-O systematics and may be applied to a variety of geological and geometallurgical questions in the Central African Copperbelt and other deposits elsewhere.

Mineralogy↗