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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Development Results on Replacement Materials for Current Scarce or High Supply Chain Risk Materials

In September 2020, the U.S. government issued an executive order to address the threat to the domestic supply chain from its reliance on critical minerals (CMs) from foreign competitors and to support the domestic mining and processing industry. The Advanced Materials and Manufacturing Technology (AMMT) program is addressing this executive order by evaluating advanced manufacturing (AM) and its impact on the demands of CMs for energy production in general and how the deployment of AM in nuclear energy will support the projected goals of the Paris Accord and further a net-zero carbon economy (NZE) by 2050. Three strategic reports were previously prepared by the AMMT program to date and identified two areas for more detailed exploration: (1) the replacement of high-risk CMs such as cobalt and niobium by more abundant minerals and (2) the minimization and utilization of CM waste streams. The design of nuclear materials without critical elements as alloying elements, is a part of the nuclear materials strategy to overcome the critical minerals scarcity. In this report, two approaches are evaluated namely (1) replacement of critical elements as alloying elements in nuclear materials, and (2) the design of a new alloys that does not contain critical minerals as an alloying element.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Optimized thermodynamic properties of REE aqueous species (REE 3+ and REEOH 2+ ) and experimental database for modeling the solubility of REE phosphate minerals (monazite, xenotime, and rhabdophane) from 25 to 300 °C

Rare earth elements (REE) are critical elements found in monazite, xenotime, and hydrated REE phosphates which typically form in hydrothermal mineral deposits. Accurate predictions of the solubility of these REE phosphates and the speciation of REE in aqueous fluids are both key to understanding the controls on the transport, fractionation, and deposition of REE in natural systems. Previous monazite and xenotime solubility experiments indicate the presence of large discrepancies between experimentally derived solubility constants versus calculated solubilities by combining different data sources for the thermodynamic properties of minerals and aqueous species at hydrothermal conditions. In this study, these discrepancies were resolved by using the program GEMSFITS to optimize the standard partial molal Gibbs energy of formation (Δ f G° 298 ) of REE aqueous species (REE 3+ and REE hydroxyl complexes) at 298.15 K and 1 bar while keeping the thermodynamic properties fixed for the REE phosphates. A comprehensive experimental database was compiled using solubility data available between 25 and 300 °C. The latter permits conducting thermodynamic parameter optimization of Δ f G° 298 for REE aqueous species. Optimal matching of the rhabdophane solubility data between 25 and 100 °C requires modifying the Δ f G° 298 values of REE 3+ by 1–6 kJ/mol, whereas matching of the monazite solubility data between 100 and 300 °C requires modifying the Δ f G° 298 values of both REE 3+ and REEOH 2+ by ~15–31 kJ/mol and ~2–10 kJ/mol, respectively. For xenotime, adjustments of Δ f G° 298 values by 1–26 kJ/mol are only necessary for the REE 3+ species. The optimizations indicate that the solubility of monazite in acidic solutions is controlled by the light (L)REE 3+ species at <150 °C and the LREEOH 2+ species at >150 °C, whereas the solubility of xenotime is controlled by the heavy (H)REE 3+ species between 25 and 300 °C. Based on the optimization results, we conclude that the revised Helgeson-Kirkham-Flowers equation of state does not reliably predict the thermodynamic properties of REE 3+ , REEOH 2+ , and likely other REE hydroxyl species at hydrothermal conditions. We therefore provide an experimental database (ThermoExp_REE) as a basic framework for future updates, extensions with other ligands, and optimizations as new experimental REE data become available. As a result, the optimized thermodynamic properties of aqueous species and minerals are available open access to accurately predict the solubility of REE phosphates in fluid-rock systems.

58 GEOSCIENCES↗
DOE OSTI2023

Decision-Making Framework to Evaluate Opportunities for Recovery of Rare Earth Elements and Critical Minerals in Produced Water Networks

Oil and gas development activities require a significant amount of water. Given the environmental impacts associated with high consumption and subsequent disposal of this water, there is a need for strategies to support effective reuse of, treatment of, and/or resource recovery from this produced water. These streams can contain appreciable concentrations of rare earth elements (REE) and critical minerals (CM) (e.g., Lithium), which are critical for many important applications in electronics, technology, manufacturing, energy, and medicine [1]. Along with REE/CM present in produced water, other waste streams such as fly ash from coal-fired power plants and acid mine discharge present other potential sources for recovery of REE/CM [2-4]. And with increases in demand for REE/CM, the need for recovery from wastewater streams is becoming even more important. There is a need to develop effective decision-making tools to evaluate the economic and environmental potential for REE/CM recovery from produced water networks while supporting the needs of drilling and hydraulic fracturing activities. In this work, we present our progress in developing a decision-making framework to efficiently design and operate produced water networks for REE/CM recovery. Our approach considers REE/CM recovery from produced water streams alongside other potential wastewater sources. The models consider the location and capacity of storage and decentralized treatment processes as well as the design and operation of pipeline and transportation networks to connect different sources and effectively schedule inventories, reuse, and recovery opportunities. We focus on the evaluation of opportunities for REE/CM recovery with treatment constraints on composition and flow. We demonstrate this framework with an illustrative case study that features diverse production sites, storage facilities, transportation, and treatment sites. This proposed framework will be deployed in an open-source software package that is compatible with the PARETO framework to deliver analysis and decision-making tools that allow stakeholders to quantitatively evaluate potential opportunities for REE/CM recovery in produced water networks.

Pulsipher, Joshua↗
DOE OSTI2021

Hydrothermal Liquid Recovery of Rare Earth Elements and Critical Materials

This project demonstrated the technical viability of using tunable hydrothermal liquid (HTL) solutions to recover valuable minerals from a range of source materials. The effort focused upon rare earth elements (REE) and other minerals critical to the industrial security of the United States. This effort demonstrated, for the first time, that s, supercritical water (SCW) in particular, can: Extract critical and valuable minerals from a range of matrices ranging from rock ore to biomass; The process can be used to recover a wide range of minerals; This novel extraction chemistry can be cheap, simple, and nontoxic/”green”: The chemical extraction uses water, the cheapest industrial acid (sulfuric), and simple salts (i.e. sodium sulfate). However, other acids, salts, and additives could be used as appropriate. This Laboratory Directed Research and Development (LDRD) project identified that the process is complex with many interacting factors, but the benefits are significant if the complexities can be resolved. Challenges remain in the development of this technology and are described in this report. However, the results are positive, and commercial partners have already expressed interest. In summary, a novel, green, inexpensive mineral extraction process has been developed and demonstrated in a small batch reactor system. The effort provided information for an invention disclosure, proposal to DOE, and will support future business development efforts.

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

Ab initio thermodynamics of Ni and Co incorporation in Mg hydroxide, carbonate, and hydroxycarbonate minerals

Ni and Co are critical elements needed for modern technologies, and a better understanding of the ability of Mg-based minerals to incorporate these elements would benefit strategy development for Ni and Co recovery from mafic and ultramafic deposits. Here, in this work, we performed density functional theory (DFT) calculations of Ni and Co incorporation in six potential products of the carbonation of mafic and ultramafic silicates: brucite (Mg(OH) 2 ), magnesite (MgCO 3 ), nesquehonite (MgCO 3 ⸱3H 2 O), lansfordite (MgCO 3 ⸱5H 2 O), artinite (Mg 2 CO 3 (OH) 2 ⸱3H 2 O), and hydromagnesite (Mg 5 (CO 3 ) 4 (OH) 2 ⸱4H 2 O). The DFT results were used in an ab initio thermodynamics framework to explore the pH 2 O–pCO 2 conditions at which the Mg-based minerals were predicted to be thermodynamically stable and to quantify the Gibbs free energy of Ni and Co substitution at Mg sites. Among the six Mg-based minerals, brucite and magnesite were predicted to have the lowest Ni and Co substitution free energy. An analysis of the effect of temperature indicated that, at low temperature (<100 K), brucite more readily accommodated Ni and Co, while, at higher temperature (>335 K), magnesite more favorably incorporated Ni and Co. Between 100 K and 335 K, Ni was predicted to preferentially substitute for Mg in brucite and Co for Mg in magnesite, thus leading to a driving force for separating Ni and Co in conditions where brucite and magnesite both form. Insights gained in this work could therefore help select experimental conditions that either promote or inhibit incorporation of these critical elements into Mg-based mineral phases.

Critical elements↗
DOE OSTI2024

Magnetic properties of Lutetium and Yttrium doped Ce 2 Fe 14 B magnets

The increasing demand for Nd-Dy and Sm-Co based permanent magnets is exacerbating the current critical materials shortage, therefore improving and optimizing current candidate critical element free permanent magnets is necessary to develop future clean energy technologies. In this work, we aim to increase the thermal stability and magnetic performance of Ce 2 Fe 14 B based permanent magnets through the substitution of Ce ions with noncritical rare earth elements Lu and Y. The substitution of Lu (x=0; 0.05; 0.1; 0.15) for Ce ions in (LuxCe 2-x )Fe 14 B was unsuccessful, likely due to disparities in ionic size and valencies, and failed to exhibit improved thermal stability or magnetic performance. In contrast, Y substitution for Ce ions in (Y x Ce 2-x )Fe14B (x= 0.1; 0.2; 0.3; 0.4; 0.5) alloys was successful. Notably, these alloys demonstrated enhanced thermal stability, as evidenced by an increase in the Curie temperature, reaching a peak of 443 K at x= 0.5. Y substitution also helped to suppress the CeFe2 Laves phase. Without loss of the anisotropy field Y substitution increased the saturation magnetization, MS, peaking at MS = 125 emu/g for a Y concentration of x= 0:4, demonstrating (Y 0.4 Ce 1.6 )Fe 14 B as a potential critical element free permanent magnet with an energy product as high as 29 MGOe. This work is advantageous in developing low cost high performance permanent magnets with reduced or little to no critical rare earth elements.

Rai, Binod K.↗
DOE OSTI2023

Advanced Processing of Rare Earth Elements and Critical Minerals from Acid Mine Drainage Feedstocks

Ongoing work by the project team identified a process for extracting rare earths and critical mineral (REE/CM) concentrates from acid mine drainage from coal mines, a major stream pollutant. The process removes harmful metals and separates REE/CM into economically attractive concentrates. This project explored the processing of those concentrates into individually separated, high purity metals, suitable for domestic manufacturers. The team brought unique experience in working with AMD-based feedstocks since the inception of USDOE’s coal-based REE/CM program in 2016. The project team has pioneered the recovery of rare earth/critical minerals (REE/CM) from acid mine drainage (AMD). This environmentally beneficial strategy will incentivize AMD treatment while recovering materials critical to the Nation’s defense and advanced manufacturing industries. In addition, the project will investigate the co-production of five high purity CMs from AMD, namely Co, Mn, Li, Cr, Ge. This team’s upstream and midstream recovery and processing technology has been demonstrated at the continuous, small scale pilot scale. In conjunction with the West Virginia Department of Environmental Protection, the team is constructing a full-scale, integrated, 500 gpm AMD treatment plant coupled with an REE/CM facility that will produce 21 tons REE/CM per year. Commissioning is scheduled for September 2021. This will provide feedstock for the team’s proprietary downstream processes that met the project objective: production of individually separated, high purity (ISHP) REE/CM oxides and their further processing to elemental metals (REM). To facilitate entry into the U.S. market, we have teamed up with companies that would use our products to strengthen their domestic supply chains and grow REE/CM based manufacturing in the U.S. They include Rockwell Automation, Rivian, Endress+Hauser, Inc., Northrop Grumman and Hela Novel Metals.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2023

Improved Primary Reference Cell Calibrations for Higher Accuracy Photovoltaic Cell and Module Performance Measurements

The adoption of photovoltaic (PV) modules for clean electricity relies on accurate measurements of their performance, which are essential for estimating their energy production potential. Herein, the calibration chain of PV cells and modules, with particular emphasis on primary reference cell calibrations, is discussed. Also, herein, the direct sunlight method the group has developed for these calibrations is presented and critical improvements and upgrades that lead to calibration uncertainty as low as 0.45% are discussed. The ultimate motivation behind this work is to provide low‐uncertainty performance measurements of PV modules, and lowering the calibration uncertainty of primary reference cells is a key first step toward achieving this goal. As the use of solar electricity continues to grow, the demand for primary reference cell calibrations inevitably increases beyond what the small handful of primary calibration laboratories can provide today. Therefore, this work can serve as a useful guide for implementing primary PV reference cell calibrations using the outdoor method, as well as outlining the critical elements required to make these calibrations highly accurate.

Osterwald, Carl R.↗
DOE OSTI2025

The impact of nickel concentration and stacking fault energy on deformation mechanisms in high-purity austenitic Fe-Cr-Ni alloys

Understanding how composition affects deformation mechanisms in austenitic stainless steels is essential for developing accurate predictive models of stress-induced failures and stress corrosion cracking. Nickel (Ni), an element classified as a critical element, plays a crucial role in these processes. It is important to examine how Ni concentration influences stacking fault energy (SFE) and, consequently, the deformation mechanisms of austenitic stainless steels. However, in commercial stainless steels, the effects of other alloying elements and impurities can obscure Ni's role, complicating efforts to isolate its impact. Here, in this study, we use two high-purity Fe-Cr-Ni alloys to investigate how Ni concentration and SFE interact to alter deformation mechanisms and induce martensitic transformation. By combining in situ synchrotron X-ray diffraction (XRD) tensile testing and post-mortem electron microscopy with density functional theory simulations, we gain precise insights into these phenomena. We find that the Fe18Cr10Ni (wt%) alloy, with its low SFE, exhibits higher stacking fault probability, deformation-induced martensitic transformation, and a lesser increase in dislocation density with plastic strain. In contrast, the Fe18Cr14Ni (wt%) alloy, with its higher SFE, shows enhanced deformation twinning and greater dislocation density with increasing strain. These findings from high-purity ternary alloys provide valuable insights that can guide the search for alternative elements to replace Ni while achieving similar effects on phase stability and deformation behavior.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Towards A Geo-Data Science Method for Assessing Rare Earth Element and Critical Mineral Occurrences in Coal and Other Sedimentary Systems

While preliminary analyses of data from open-source resources (Ekmann, 2012) show promising concentrations of REE in individual coal samples from a number of sites and basins in the U.S., other sparse data for REE in domestic coal-related strata suggest that many occurrences are low, “subeconomic” concentrations. At present, there is no method for systematically assessing potential sedimentary occurrences of REE. However, the geologic processes responsible for REE occurrences in coal-related strata are systematic; the unpredictability of REE resources in coal-related strata is due to poorly quantified spatial resource trends and the lack of an exploration method tailored to these resources. Thus, there exists a need for a systematic assessment approach that incorporates knowledge of geological variation in the mechanisms of REE enrichment within coal basins to help minimize geologic uncertainty and reduce commercial exploration risk.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2023

Extraction, Separation, and Production of High Purity Rare Earth Elements and Critical Minerals from Coal-Based and Related Resources

The general objectives of this project are to develop concepts for rare earth metal and critical mineral production from coal-based and related (minerals associated with coal) resources and incorporate them into a Technical Research Plan with an associated overall flow sheet. The project team has extensive expertise in market evaluation, mineral separation, leaching, chemical separations, alternative metallothermic reaction technology, electrowinning, and electrorefining that was critical to the success of the proposed project. The project included critical industrial partners needed for project success. The project team has extensive expertise in market evaluation, mineral separation, leaching, chemical separations, alternative reduction technology, electrowinning, and electrorefining as well as appropriate pilot-scale facilities to enable this project. The project encompassed broader opportunities for developing domestic resources of REE/CM materials for a more resilient, diverse, and secure supply chain for REE/CM materials with built-in redundancies and appropriate resource stockpiles. The production of REE/CM materials will help to revitalize and rebuild world-class American manufacturing capacity and the related workforce through new jobs and infrastructure. Furthermore, due to the nature and location of the production sites, economic growth in diverse communities of color and economically distressed areas will be cultivated. Finally, this technology can be applied to reuse and remediate coal waste tailings for REE/CM production.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2021

Origin of Life on Mars: Suitability and Opportunities

Although the habitability of early Mars is now well established, its suitability for conditions favorable to an independent origin of life (OoL) has been less certain. With continued exploration, evidence has mounted for a widespread diversity of physical and chemical conditions on Mars that mimic those variously hypothesized as settings in which life first arose on Earth. Mars has also provided water, energy sources, CHNOPS elements, critical catalytic transition metal elements, as well as B, Mg, Ca, Na and K, all of which are elements associated with life as we know it. With its highly favorable sulfur abundance and land/ocean ratio, early wet Mars remains a prime candidate for its own OoL, in many respects superior to Earth. The relatively well-preserved ancient surface of planet Mars helps inform the range of possible analogous conditions during the now-obliterated history of early Earth. Continued exploration of Mars also contributes to the understanding of the opportunities for settings enabling an OoL on exoplanets. Favoring geochemical sediment samples for eventual return to Earth will enhance assessments of the likelihood of a Martian OoL.

transition elements↗
DOE OSTI2023

Controlling Extraction of Rare Earth Elements Using Functionalized Aryl-vinyl Phosphonic Acid Esters

Ligands that can discriminate between individual rare earth elements are important for production of these critical elements. A set of aryl-vinyl phosphonic acid ligands for extracting rare earth elements were designed and synthesized under the hypothesis that the strength of the rare earth-ligand interactions could be tuned by changing the dipole moment of the ligand. The ligands were synthesized via a two-step reaction procedure using a Heck coupling reaction to functionalize vinyl phosphonic acid, followed by Steglich esterification to obtain high-purity styryl phosphonic acid monoesters with varying dipole moments along the P-C bond. The metal binding strength and composition of the rare earth complexes formed with these styryl phosphonic acid monoesters were experimentally studied by liquid-liquid extraction techniques, while DFT calculations were performed to determine the dipole moments of the free and complexed ligands and the electronic structure of the complexes formed. All three prepared ligands were much stronger extracting agents for europium(III) than the dialkylphosphonic acids usually used for this separation. However, the order of increasing extraction strength was found to match the order of the decreasing calculated dipole moment along the P-C bond of the three styryl-based ligands, rather than correlating with increasing ligand basicity, as reflected by the pK a of the ligands. Finally, these findings suggest that this approach can be used to systematically alter the extraction strength of aromatic phosphonic monoesters for rare earth element purification.

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

NdFeB Permanent Magnet Uses, Projected Growth Rates and Nd Plus Dy Demands across End-Use Sectors through 2050: A Review

Rare earth element (REE) permanent magnets (NdFeB) are a critical element in a vast and growing number of industrial applications. In consumer electronics, a broad category encompassing computer, CD, and DVD hard drives, in addition to the ubiquitous cell phones, the nominal NdFeB magnet content may be small, but the global market share for this sector accounts for almost 30% of NdFeB demand, due to a large and continually increasing consumer base. It is estimated that wind turbines that primarily employ permanent magnets will add roughly 110 GW annually of on- and off-shore capability over the next few years. Electric vehicles (EVs) and E-bicycles (EBs) equipped with permanent magnet motors comprise the transportation contribution. Permanent magnet motors have garnered nearly 100% of the market share among EV manufacturers worldwide. Industrial, professional service, and personal robots, most using permanent magnets, are also included in the projected global need for rare earths, particularly Nd and Dy. The sector projects significant growth of approximately 10% across robotic categories. In this paper, we calculate the future demand for Nd and Dy through 2050 across these sectors using a compounded annual growth rate coupled with magnet weight and rare earth content. Uncertainties in the estimates, such as the true global production of Nd, a range of end-product scales and/or unit types in each sector, varied magnet compositions, and the variety of uses within a sector, are all considered.

Geochemistry & Geophysics↗