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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 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

A family portrait of lanmodulin selectivity for enhanced rare-earth separations

Proteins offer a molecular design space to create bespoke ligands for the separation of critical metals like rare earth elements (REs). However, data-intensive approaches to tune metalloprotein selectivity are constrained by the low-throughput nature of existing characterization methods. Here we invented an assay called ‘SpyTag-Catcher Immobilization of Lanmodulin for Assaying Metal-Binding Selectivity’ (SpyCI-LAMBS) to measure metalloprotein selectivity en masse. This 96-format workflow was used to study the selectivity of 621 lanmodulin (LanM) orthologs for 15 REs, revealing eight distinct selectivity profiles based on sequence-to-function analyses. We discovered >200 LanMs with stronger selectivity against low-value LaIII relative to the prototypical LanM. This includes a LanM that can perform a challenging one-stage separation of PrIII from LaIII with up to >99.9 mol% purity and 83% yield. SpyCI-LAMBS is a powerful tool that can rapidly collect high-fidelity selectivity data to inform metal ion separations and machine-learning-assisted metalloprotein design.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Investigating the Rare Earth and Critical Mineral Potential of Central Appalachia

The Evolve Central Appalachia (Evolve CAPP) project team is investigating the rare earth and critical mineral resource potential of the Central Appalachian basin located in Virginia, West Virginia, Kentucky and Tennessee. Through a coalition of leading academic institutions, industry, research laboratories, expert consultants, and federal and state government agencies, the team is identifying opportunities in the region to supply the green and digital economy with responsibly sourced and sustainable critical minerals production and to spur downstream value-added industries that will stimulate economic growth in the CAPP region.

Bishop, Richard↗
DOE OSTI2024

Illinois Basin Carbon Ore, Rare Earth, and Critical Minerals (IB-CORE-CM) Initiative (Final Report (Redacted)(Public))

Final Report; Illinois Basin - Carbon Ore, Rare Earth and Critical Mineral (IB-CORE-CM) project team has conducted a comprehensive basin-wide assessment of CORE-CM presence in coal, coal-based, and waste stream resources, as well as a thorough examination of mining practices, separation technologies, and the local infrastructure necessary for producing and providing the needed CORE-CM resources for U.S. industry. This final report details the research, methods, and results of the project.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2024

Computational design of high-entropy rare earth aluminum garnets for advanced thermal and environmental barrier coatings

To enhance the protection of Ni-based superalloys in gas turbine engines’ high-temperature environments, it’s crucial to develop advanced thermal/environmental barrier coating (T/EBC) materials with a balanced combination of thermal and mechanical properties. This optimization is essential to safeguard against chemical and thermal challenges. Here, in this study, we harness the power of density functional theory (DFT) in conjunction with combinatorial chemistry methodologies to engineer high-performance high-entropy rare earth disilicates of the RE 3 Al 5 O 12 family (where RE denotes Y, Gd, Er, and Yb). These materials are meticulously designed to exhibit superior phase stability, a targeted coefficient of thermal expansion (CTE), low lattice thermal conductivity, and robust mechanical properties. The determination of CTE values is accomplished through phonon calculations at various volume settings within the quasi-harmonic approximation, while lattice thermal conductivities are rigorously assessed employing the Debye-Callaway model, accounting for three distinct phonon processes. Our findings highlight the remarkable attributes of the solid solution (Y 1/4 Gd 1/4 Er 1/4 Yb 1/4 ) 3 Al 5 O 12 , which displays a reduction in lattice thermal conductivity compared to its individual constituents while maintaining a favorable range of CTE values. The novel T/EBC material, distinguished by their multifaceted functionalities, are poised to use in substantial enhancements in the performance of engines.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Sampling and Characterization of Coal Basins as an Alternative Rare-Earth Element Resource

Conference presentation at TechConnect World Innovation Conference & Expo, Washington, D.C., June 13–15, 2022. The University of North Dakota (UND) through the Energy & Environmental Research Center (EERC) and the Institute for Energy Studies teamed with the University of Kentucky Center for Applied Energy Research, Microbeam Technologies Inc., the Kentucky Geological Survey (KGS), the North Dakota Geological Survey (NDGS), and the mining industry to execute a contract with the U.S. Department of Energy National Energy Technology Laboratory (NETL) to obtain and characterize samples of U.S. domestic precombustion coal and coal-related materials with a minimum concentration of 300 parts per million (ppm) total rare-earth elements (TREEs) as the material is removed from the ground, with no processing other than drying.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2023

Luminescence of alkali rare earth borates A 3 Ln(BO 3 ) 2 (A = Na, K; Ln = Eu, Tb)

Single crystals of a series of rare earth borates, A 3 Ln (BO 3 ) (A = Na, K; Ln = Eu, Tb), were synthesized using a boric acid/hydroxide melt. The Na 3 Ln (BO 3 ) 2 borates crystallized in the monoclinic system with space group P2 1 /n, and the K 3 Ln (BO 3 ) 2 borates crystallized in the orthorhombic system with space group Pnma. Here, the luminescence of these borates was investigated under ultraviolet and X-ray excitations for the first time. Radioluminescence (RL) measurements showed K 3 Tb(BO 3 ) 2 to be the brightest compound, with an integral intensity equal to 55% of the integral emission of Bi 4 Ge 3 O 12 (BGO) powder.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Crystal Growth and Phase Formation of High-Entropy Rare-Earth Aluminum Perovskites

In this work, we demonstrate for the first time the crystal growth of high-entropy rare-earth (RE) aluminum perovskites (REAlO 3 ) using the micro-pulling-down method to inform future exploration of functional crystals. To determine how composition affects phase formation, we formulate equiatomic compositions containing five REs from the following list: Lu, Yb, Tm, Er, Y, Ho, Dy, Tb, Gd, Eu, Sm, Nd, Pr, Ce, La. To test whether combinations of REs with similar ionic radii may favor a single phase, compositions containing REs with consecutive or nonconsecutive ionic radius values were formulated. Powder and single-crystal X-ray diffraction indicate that crystals containing only REs with similar ionic radii that form orthorhombic single-RE REAlO 3 are a single phase. Crystals containing REs with dissimilar ionic radii or mixtures of REs that form orthorhombic, rhombohedral, and tetragonal single-RE REAlO 3 are a mixture of phases. The elemental distribution in single-phase crystals analyzed via electron probe microanalysis confirms no evidence of preferential incorporation of any of the constituent REs. The distribution and composition of secondary phases were analyzed via scanning electron microscopy and energy dispersive spectroscopy; secondary phases were seen as a small region in the center of the crystals with branching features closer to the outer surface.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Direct genome-scale screening of Gluconobacter oxydans B58 for rare earth element bioleaching

Abstract The transition to a sustainable energy economy will require an enormous increase in the supply of rare earth elements (REEs). Bioleaching offers a promising alternative to conventional hydrometallurgical methods for REE extraction from low-grade ores. However, exploiting this potential remains challenging due to large gaps in our understanding of the genetics involved, and inadequate biological tools to address them. We generated a highly non-redundant whole-genome knockout collection for the bioleaching microbe Gluconobacter oxydans B58, reducing redundancy by 85% compared to the previous best collection. This new collection was directly screened for bioleaching neodymium from a synthetic monazite powder, identifying 89 genes important for bioleaching, 68 of which have not previously been associated with this mechanism. We conducted bench-scale experiments to validate the extraction efficiency of promising strains: 8 demonstrated significant increases in extraction by up to 111% (δ GO_1598 , disruption of the gene encoding the orotate phosphoribosyltransferase enzyme PyrE), and one strain significantly reduced it by 97% (δ GO_1096 , disruption of the gene encoding the GTP-binding protein TypA). Notable changes in pH were only observed for 3 strains, suggesting an important role for non-acid mechanisms in bioleaching. These findings provide valuable insights into further enhancing REE-bioleaching by G. oxydans through genetic engineering.

Marecos, Sabrina (ORCID:0000000158529933)↗
DOE OSTI2023

The effect of rare earth (RE 3+ ) ionic radii on transparent lanthanide-tellurite glass-ceramics: correlation between ‘hole-formalism’ and crystallization

Rare earth (RE) doped transparent tellurite glass-ceramics (GCs) are widely explored for their application as advanced photonic materials. Specifically, the growth of RE based “anti-glass” crystalline phases in transparent GCs enhances their effective functionality. Enormous studies on the properties of GCs revealed that optimization of glass composition and heat-treatment schedule are the foremost factors that affect the transparency of the GCs. Nevertheless, the direct effect of RE 3+ ions on the crystallization mechanism of glass has hardly been reported. Therefore, a base glass of the composition La 2 O 3 –Gd 2 O 3 –TiO 2 –TeO 2 (LGTT) is doped with RE 3+ ions (Ce 3+ , Pr 3+ , Nd 3+ , Sm 3+ , Eu 3+ , Tb 3+ , and Dy 3+ ) with varied ionic radii. Rietveld refinement from XRD of GCs confirms that (La/Gd) 2 Te 6 O 15 phases are precipitated, where dopants Ce, Pr and Nd occupy La sites, while Sm, Eu, Tb, and Dy occupy Gd sites. The configurational heat-capacity (ΔC p ) from DSC is found to be lower for larger ionic radii REs (Ce, Pr, Nd) than smaller ionic radii REs (Sm, Eu, Tb, Dy) thereby exhibiting higher chemical ordering followed by faster crystal growth rate in the former. However, the transparency retention profile of different RE-doped GCs follows the trend Eu:Tb > Sm:Dy > Nd > Pr > Ce, confirming the ionic radii effect. In addition to the ionic radii effect, in this work, we propose a ‘Hole-Formalism’ concept to explain the observed trend. It is further corroborated with an identical neutron diffraction pattern and ΔC p values for these ion pairs Sm 3+ : Dy 3+ (4f 5 : 4f 9 ) and Eu 3+ : Tb 3+ (4f 6 : 4f 8 ) results in a similar crystallization mechanism, transmission profile and fine-scale microstructures of these RE-based tellurite GCs.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Process for making modified DTPA-associated organosilica media for use in solid-liquid extraction of rare earth elements

A process for making modified diethylenetriaminepentaacetic acid (DTPA)-associated media for use in solid-liquid extraction of rare earth elements is disclosed. The process includes functionalizing DTPA with hydrophobic groups to form modified DTPA; dissolving the modified DTPA into a methanol solution; loading the modified DTPA solution to a solid support; rotating the modified DTPA-loaded solid support to allow for association; and removing the methanol to obtain the modified-DTPA-associated media.

Dittrich, Timothy M.↗
DOE OSTI2021

Separation of zirconium and hafnium from early actinides and rare earth elements with eichrom’s pb resin in HCl

The separation of zirconium and hafnium isotopes from the early actinides and rare earth elements (REE) with Eichrom’s Pb resin has been studied. Batch studies were performed to characterize the behavior of actinium, thorium, zirconium, hafnium, lutetium, and yttrium on Pb resin from HCl solutions (0.001 M to 11 M). The early actinides and REE had no affinity for the resin at any concentration of HCl, but zirconium and hafnium showed a moderate uptake at high concentrations of HCl with a maximum extraction at 11 M HCl. Several column separations were tested, including with only tracer isotopes and with mass. Rapid, simple separations of zirconium from actinium, thorium, protactinium, and the REE with high yields and low elution volumes are presented with applications for tracer isotope production and fission product separations. Furthermore, the resin is less suitable for hafnium separations as hafnium tends to bleed off the resin even at high concentrations of HCl.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2020

Mechanical behavior and texture evolution of WE43 magnesium-rare earth alloy in Split-Hopkinson Pressure Bar and Taylor Impact Cylinder Testing

Mechanical behavior and texture evolution of Mg rare-earth alloy WE43 is investigated for strain-rates 10 -3 /s to upwards of 10 5 /s for the two material conditions - as-cast (AC) and T6 age hardened, rolled plate (RT6). The high strain-rate behavior is tested using both Taylor cylinder impact tests (TC) and split Hopkinson pressure bar tests (SHB) and bulk textures are obtained using neutron diffraction. Unlike the quasi-static strained material, AC and RT6 SHB retained high hardening rates throughout the test, even up to 30% true strain. Moreover, the high strain-rate data revealed that the RT6 material has a much higher strength than the AC material, but similar hardening rates despite significantly different initial texture. The flow stress near yield increased up to I 0% for RT6 and up to 30% for AC as the strain-rate increased six orders of magnitude from quasi-static rates 10 -3 /s to 10 3 /s. Neither material exhibited significant plastic anisotropy over the broad range of strain rates, despite the fact that the RT6 material had a moderately strong initial texture. In the TC tests, the geometric cross-sectional changes and texture along the cylinder from the cylindrical sample foot to head are measured and from the neutron diffraction texture analysis, upper-bound estimates of twin volume fraction are obtained as well as dislocation density from analyzing diffraction peak broadening. Recorded geometrical changes along several loading directions show that the material has deformed remarkably homogeneously under impact. Analysis of deformed textures indicates that {101¯2} extension deformation twinning occurred in the RT6 condition over the range of strain rates, with an upper bound estimate of 40% twin volume fraction for approximately 0.10-0.25 true strain. The peak texture components after the impact have their c-axes closely aligned with the impact direction. As a result, these observations are presented and rationalized in the paper.

42 ENGINEERING↗
DOE OSTI2022

Improving Rare-Earth Mineral Separation with Insights from Molecular Recognition: Functionalized Hydroxamic Acid Adsorption onto Bastnäsite and Calcite

Enhancing the separation of rare-earth elements (REEs) from gangue materials in mined ores requires an understanding of the fundamental interactions driving the adsorption of collector ligands onto mineral interfaces. In this work, we examine five functionalized hydroxamic acid ligands as potential collectors for the REE-containing bastnäsite mineral in froth flotation using density functional theory calculations and a suite of surface-sensitive analytical spectroscopies. These include vibrational sum frequency generation, attenuated total reflectance Fourier transform infrared, Raman, and X-ray photoelectron spectroscopies. Differences in the chemical makeup of these ligands on well-defined bastnäsite and calcite surfaces allow for a systematic relationship connecting the structure to adsorption activity to be framed in the context of interfacial molecular recognition. Here we show how the intramolecular hydrogen bonding of adsorbed ligands requires the inclusion of explicit water solvent molecules to correctly map energetic and structural trends measured by experiments. We anticipate that the results and insights from this work will motivate and inform the design of improved flotation collectors for REE ores.

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

Rare-Earth Permanent Magnet SmCo 5 for Chiral Interfacial Spin-Orbitronics

Interfacially asymmetric magnetic multilayers made of heavy metal/ferromagnet have attracted considerable attention in the spintronics community for accommodating spin-orbit torques (SOTs) and meanwhile for hosting chiral spin textures. In these multilayers, the accompanied interfacial Dzyaloshinskii–Moriya interaction (iDMI) permits the formation of Néel-type spin textures. While significant progresses have been made in Co, CoFeB, Co 2 FeAl, CoFeGd based multilayers, it would be intriguing to identify new magnetic multilayers that could enable spin-torque controllability and meanwhile host nanoscale skyrmions. In this report, first, thin films made of permanent magnet SmCo 5 with perpendicular magnetic anisotropy are synthesized, in which the deterministic SOT switching, enabled by the spin Hall effect, in Pt/SmCo 5 /Ta trilayer is demonstrated. Further, the stabilization of room-temperature skyrmions with diameters ≈100 nm in [Pt/SmCo 5 /Ta] 15 , together with a skyrmionium-like spin texture in [Pt/SmCo 5 /Ir] 15 multilayers is shown. Based on the material specific parameters, micromagnetic simulations are also carried out. The results confirm the presence of chiral spin textures in this new material family. Through interfacial engineering, the results thus demonstrate that rare earth permanent magnets could be a new platform for studying interfacial chiral spintronics.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Detecting rare earth elements via optically detected magnetic resonance (ODMR) and spin-relaxometry using nitrogen vacancy centers in nanodiamonds

Nanodiamonds embedded with nitrogen-vacancy (NV) centers are emerging as powerful tools in quantum sensing due to their remarkable sensitivity to local variations in electromagnetic fields, temperature, and pressure. These point defects in the diamond lattice can be probed using optically detected magnetic resonance (ODMR) and spin relaxometry techniques, allowing for the detection and characterization of magnetic nanoparticles and ions. The sensing mechanism relies on laser-induced excitation of the NV center's non-degenerate triplet ground state, which promotes electrons to an excited state. Subsequent photoluminescence (PL) emission, which is spin-state dependent, is then measured. These spin states are highly responsive to magnetic perturbations in the surrounding environment. By analyzing changes in the ODMR spectra and spin relaxation times, we can effectively monitor how magnetic species influence the NV center's spin dynamics, thus enabling sensitive and selective characterization of nanoscale magnetic materials. These techniques have been applied for the characterization of transition metals and rare earth elements which shows natural ferromagnetic properties.

magnetic nanopartgicles and ions↗
DOE OSTI2025

Controlling Ligand Excimer Formation with Dipole Changes in Emissive Rare-Earth/Phosphonic Acid Complexes

The interactions between substituted arylvinyl phosphonic acid (AVPA) ligands within a Eu-AVPA complex are shown to influence the outcomes of excited state evolution after photoexcitation. Compared with unfunctionalized AVPAs, pairs of ligands functionalized with CF 3 in the para position preassociate in the ground state of complexes with Eu 3+ according to calculated geometry optimizations. The CF 3 -substituted AVPA complexes show evidence of red-shifted optical absorption and undergo more efficient excimer formation, as revealed by transient absorption spectroscopy. We rationalize this behavior through simulations of excited-state geometry optimizations that reveal evolution toward interligand phenyl-phenyl planarity for specific excited states. Emission from complexed Eu 3+ after energy transfer from the ligand is found to be weaker with CF 3 substitution, which we hypothesize is due to intracomplex, interligand aggregates with excimer-promoting geometries. These observations point to the need to consider ground-state geometries as well as dynamic excited-state processes to understand the flow of energy in rare earth coordination complexes.

09 BIOMASS FUELS↗