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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

Analysis of Liquids Using the Submerged Plasma for Isotopic Detection and Elemental Resolution (SPIDER)

We developed a sensor called the Submerged Plasma for Isotopic Detection and Elemental Resolution (SPIDER) probe, which uses an atmospheric pressure glow discharge below the surface of liquids to excite species in the liquid. Through emission spectroscopy of molten salts, liquid metals, and heavy water, we demonstrated the SPIDER probe’s high resolution, accuracy, and versatility. We successfully identified trace concentrations of transition and rare-earth metals in molten salts and detected the isotopic shift of the H β → D β emission line. Our analysis revealed unconventional spectral alkali line shapes, indicating two competing excitation modes: film explosion and droplet vaporization. The film explosion mode, characterized by dense plasma, exhibited self-reversal and broadband continuum emission, while the droplet vaporization mode, associated with diffusive plasma, produced narrow-line emissions. Furthermore, by analyzing circuit transients alongside individual plasma events, we observed that film explosions generate higher currents, likely due to a shorter plasma length as the current preferentially flows through the thin liquid layer. Altogether, our results highlight the SPIDER probe’s efficacy and flexibility, making it well-suited for online material quantification of liquids in extreme environments.

AES↗

Electric-field-assisted-sintering of rare-earth oxide dispersion strengthened Fe-Cr-Mo alloys

Oxide dispersion-strengthened (ODS) alloys are widely recognized for their exceptional high-temperature strength, creep resistance, and radiation tolerance, making them indispensable for advanced nuclear reactors, aerospace, and energy systems. Achieving a fine and stable dispersion of oxide nanoparticles is critical, as these particles act as strong barriers to dislocation motion and effective sinks for irradiation-induced defects, ensuring structural integrity under extreme conditions. Here, in this study, Fe–Cr–Mo-based ODS alloys were fabricated via mechanical alloying and consolidated using electric-field-assisted sintering (EFAS) with additions of Y 2 O 3 , La 2 O 3 , and CeO 2 . EFAS processing produced ultrafine-grained microstructures (average grain size <1 μm) with uniformly distributed oxide clusters (2–4 nm). Atom probe tomography revealed that La 2 O 3 -containing alloys exhibited the highest nanoparticle number density, resulting in superior tensile strength compared to yttria- and ceria-bearing counterparts. The combined effect of grain refinement and rare-earth oxide dispersion significantly enhanced mechanical performance, demonstrating the potential of EFAS for developing high-strength ferritic alloys for demanding environments such as nuclear systems.

36 - MATERIALS SCIENCE↗

Enhancement of microwave to optical spin-based quantum transduction via a magnon mode

We propose a method for converting single microwave photons to single optical sideband photons based on spinful impurities in magnetic materials. This hybrid system is advantageous over previous proposals because (i) the implementation allows much higher transduction rates (10 3 times faster at the same optical pump Rabi frequency) than state-of-the-art devices, (ii) high-efficiency transduction is found to happen in a significantly larger space of device parameters (in particular, over 1 GHz microwave detuning), and (iii) it does not require mode volume matching between optical and microwave resonators. We identify the needed magnetic interactions as well as potential materials systems to enable this speed up using erbium dopants for telecom compatibility. This is an important step towards realizing high-fidelity entangling operations between remote qubits and will provide additional control of the transduction through perturbation of the magnet.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Process design for recovering rare-earth elements from mine tailings with low rare-earth concentrations via sequential leaching and solvent extraction

Rare earth elements (REEs) are essential for advanced technologies and yet face significant supply chain risks due to their concentrated global production and limited domestic availability. Addressing this challenge requires efficient processes capable of upgrading low-grade secondary resources such as mine tailings. In this study, we developed a novel separation flowsheet that integrates sequential leaching and 2-stage solvent extraction (SX) processes to recover high-purity heavy REEs (HREEs) and light REEs (LREEs) from a simulated mine-tailing concentrate containing 2.4 wt% total REEs (TREEs; 0.6 wt% LREEs and 1.8 wt% HREEs). Sequential leaching with controlled pH adjustment selectively precipitated REEs while retaining the large amount of impurities in the solution, producing an REE-enriched leachate by following leaching processes with roughly twice the REE concentration and half the impurity concentration compared to that of single-step leaching. The optimized SX flowsheet employed Cyanex 572 to extract HREEs and Fe over LREEs, followed by Fe removal using tributyl phosphate (TBP), while the raffinate stream was processed by SX with di(2-ethylhexyl)phosphoric acid (D2EHPA) to recover LREEs under optimized conditions balancing both extraction efficiency and purity. Although increased extractant availability in the organic phase improved LREE recovery, it also increased co-extraction of Ca, underscoring trade-offs in process optimization. Both HREE- and LREE-rich solutions were subsequently precipitated into solid products via oxalate precipitation, resulting in high-purity REE solids containing ∼92.0 wt% HREEs (∼95.7 wt% TREEs) and ∼92.8 wt% LREEs (∼94.0 wt% TREEs). In conclusion, this proof-of-concept study using simulated mine tailings demonstrates a promising approach for upgrading low-grade REE resources, while highlighting the need for future validation with real materials.

Mine tailings↗

Nuclear spin engineering for quantum information science

Semiconductors are the backbone of modern technology, garnering decades of investment in high-quality materials and devices. Electron spin systems in semiconductors, including atomic defects and quantum dots, have been demonstrated in the last two decades to host quantum coherent spin qubits, often with coherent spin–photon interfaces and proximal nuclear spins. These systems are at the center of developing quantum technology. However, new material challenges arise when considering the isotopic composition of host and qubit systems. The isotopic composition governs the nature and concentration of nuclear spins, which naturally occur in leading host materials. These spins generate magnetic noise—detrimental to qubit coherence—but also show promise as local quantum memories and processors, necessitating careful engineering dependent on the targeted application. Reviewing recent experimental and theoretical progress toward understanding local nuclear spin environments in semiconductors, we show this aspect of material engineering as critical to quantum information technology.

Defects↗

Phase Field Modeling of Chemical Reaction Related Damage Evolution in Environmental Barrier Coatings

The advent of next-generation engines necessitates materials capable of withstanding temperatures beyond the reach of current superalloys. SiC-based ceramic matrix composites, augmented with environmental barrier coatings (EBCs), present a promising materials solution. Given the active search for effective and durable EBCs, there is a pressing need for modeling tools to understand and predict damage evolution in these materials to help accelerate their development. This study introduces a phase-field model (PFM) designed to simulate the thermally grown oxides (TGO) and phase transformation in the degradation and failure of EBCs. The model accounts for the severe volume expansion due to oxidation, alongside phase transformations and porosity evolution during thermal cycling, offering a comprehensive view of the damage processes. Simulation results are validated against experimental findings reported in the literature, establishing the model's potential as a significant tool for understanding and improving the resilience of EBCs in cyclic oxidative environments.

fast-diffusion path↗

Advanced Analysis of X-ray Fluorescence Measurements of the Interfacial Density of Eu Ions at Liquid–Liquid Interfaces for Solvent Back-Extraction

X-ray fluorescence near total reflection (XFNTR) is the primary technique used to measure the element-specific interfacial density of ions at liquid−liquid interfaces. Fluorescence from ions in the bulk liquids can complicate the determination of the interfacial density; consequently, measurements have been previously limited to samples without ions in the upper phase and with concentrations on the order of 10 μM or less in the lower phase. We modify the analysis of XFNTR data to account for ions in both bulk phases, then demonstrate its use in the context of rare-earth separations processes. In a model of ion stripping (i.e., back-extraction), dodecane solutions of di(2-ethylhexyl)- phosphoric acid (HDEHP) loaded with Eu(III) at the 1 mM level are placed in contact with either pure water or aqueous solutions of nitric or citric acid at pH 3. XFNTR measurements of equilibrated, quiescent samples reveal that citric acid solutions produce a disproportionately large depletion of ions from the interface compared to that from the bulk organic solution, whereas stripping by pure water or nitric acid solutions is negligible. As a result, this advance in the methodology of XFNTR may have broad applicability to the investigation of metal ions in chemical and biological processes at liquid−liquid interfaces.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Ion-Specific Precipitation of Extractants Enables Rare-Earth Separation and Wastewater Remediation from Solvent Extraction of Critical Elements

The increasing demand for rare-earth elements (REEs) necessitates sustainable recovery strategies, particularly from secondary sources, such as electronic waste. Solvent extraction is the primary industrial method for REE separation; however, the unintentional dissolution of extractants into wastewater poses serious environmental risks, leading to organic contamination and process inefficiencies. Existing wastewater treatment methods struggle to remove these persistent pollutants, underscoring the need for innovative recovery approaches. Herein, we present a ligand-mediated precipitation strategy that simultaneously recovers REEs and removes dissolved extractants from solvent extraction wastewater. We show that residual extractants in the aqueous phase can selectively bind REEs, inducing their precipitation while leaving transition metals in solution. By integrating FTIR spectroscopy, EDS, XPS, EXAFS, and SAXS, we elucidate the mechanism of ion-specific precipitation and the local coordination environment of metal ions in the precipitate. Importantly, we demonstrate that the precipitated extractants can be efficiently recovered and reused, providing a closed-loop solution that enhances sustainability. Applying this method to leachates from samarium–cobalt (Sm–Co) and neodymium–iron–boron (NdFeB) mixed magnets, we achieve highly selective REE precipitation under mild conditions, demonstrating a scalable and cost-effective pathway for REE recovery, wastewater purification, and extractant recycling. In conclusion, by integrating element-specific ligand-mediated precipitation with extractant reuse, this work offers a transformative approach to REE separation that reduces the environmental impact while improving resource efficiency.

E-waste↗

Ramification of complex magnetism in Nd 2 Ir 2 O 7 observed by Raman scattering spectroscopy

Using Raman scattering spectroscopy, we uncover a complex magnetic behavior of Nd2Ir2O7, which stands out among magnetic pyrochlores by the lowest temperature of the all-in-all-out (AIAO) Ir moments ordering (${T}_{{\rm{Ir}}}^{{\rm{N}}} = 33$ K) and the highest temperature at which AIAO order of rare-earth Nd ions is detected (${T}_{{\rm{Nd}}}^{{\rm{* }}}$ = 15 K). Detected magnetic Raman scattering and calculations of expected response allow us to demonstrate that the ordering of Ir magnetic moments is accompanied by an appearance of one-magnon Raman modes at 26.3 and 29.6 meV compatible with the AIAO order and allowing to estimate the energies of Ir-Ir interactions. An additional two-magnon excitation of the AIAO Nd order at around 33 meV appears in the spectra below the ordering temperature of Nd moments ${T}_{{\rm{Nd}}}^{{\rm{* }}}$ = 15 K. In the temperature range between 15 K and 33 K we observe a broad mode, which demonstrates strong temperature dependence and shifts on cooling below 20 K from 14 meV to higher frequencies, and disappears at 5 K, when two-magnon excitation of Nd moments becomes prominent. We suggest an interpretation of this excitation in terms of continuum arising from collective fluctuations of Nd moments above the transition. This complex behavior emerges from the interplay of strong spin-orbit coupling, electronic correlations, and geometric frustration on two magnetic pyrochlore sublattices of Nd and Ir ions.

magnetic properties and materials↗

Strain-driven oxygen vacancy ordering in LaNiO 3 thin films revealed by integrated differential phase contrast imaging in scanning transmission electron microscopy

Rare-earth nickelates, such as LaNiO 3 (LNO), exhibit complex electronic properties, with ordered oxygen vacancies (OOV) influencing conductivity and magnetic behavior. We investigate the structural stability of strain-induced OOV phases in LNO thin films grown on SrTiO 3 substrates and the impact of Ruddlesden–Popper (RP) faults. Using high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) and integrated differential phase contrast (iDPC) STEM imaging, we conducted atomic-scale structural and compositional analyses of OOV. Geometric phase analysis (GPA) was employed to measure the strain in fault-free and RP fault regions, while density functional theory (DFT) calculations explored different OOV arrangements in the LNO phase. Simulated iDPC-STEM imaging of energy-stabilized structures was performed to correlate with experimental results. Here, our findings reveal superstructure modulation in the chemical composition and atomic-scale lattice structure in LNO, primarily due to the formation of the OOV in Ni–O layers of the LaNiO 2.5 phase. The out-of-plane compressive strain of about 2% stabilizes this phase, reducing the strain, diminishing OOV, and transforming them into LNO.

36 MATERIALS SCIENCE↗

Pinning ångström-size solid ionic channels for rare-earth element separation

High-purity rare-earth elements are essential for modern technologies, yet current solvent extraction processes are energy-intensive and environmentally harmful because of inadequate selectivity and ligand toxicity. Although combining size exclusion and binding affinity can improve lanthanide separation, the role of long-range confinement remains underexplored. Here we report lanthanide separation in aqueous systems using extremely confined manganese oxide solid ionic channels with optimized layer spacing. Different lanthanides induce distinct solid-state phase transformations in manganese oxide, creating a strong driving force for separation. Two lanthanide groups, differing by ~1.4 Å in spacing, were identified and confirmed to be stable by density functional theory. The narrower confinement of heavier Group II lanthanides improves cross-group separation by increasing the dehydration barrier for lighter Group I lanthanides without inducing strong binding. Here, we further developed a strategy to pin the confinement dimensions and enhance same-group separation, increasing enrichment factors for La–Nd and La–Pr pairs from 1.6 ± 0.1 and 1.5 ± 0.1 to 5.4 ± 0.1 and 4.2 ± 0.1, respectively.

Chemical engineering↗

Re-entrant unconventional superconductivity induced by rare-earth substitution in Nd 1-x Eu x NiO 2 thin films

High temperature superconductivity is typically associated with strong coupling and a large superconducting gap, yet these characteristics have not been demonstrated in the nickelates. Here, we provide experimental evidence that Eu substitution in the spacer layer of Nd 1-x Eu x NiO 2 (NENO) thin films enhances the superconducting gap, driving the system toward a strong-coupling regime. This is accompanied by a magnetic-exchange-driven magnetic-field-enhanced superconductivity. We investigate the upper critical magnetic field, H c2 , and the superconducting gap of superconducting NENO thin films with x = 0.2 to 0.35. Magnetoresistance measurements reveal magnetic-field-enhanced superconductivity in NENO films. We interpret this phenomenon as a result of an interaction between magnetic Eu ions and superconducting states in the Ni d x2-y2 orbital. The upper critical magnetic field strongly violates the weak-coupling Pauli limit. Infrared spectroscopy confirms a large gap-to-Tc ratio $2\Delta /{k}_{B}{T}_{{\rm{c}}}\simeq 5-6$, indicating a stronger coupling pairing mechanism in NENO relative to the Sr-doped NdNiO 2 . The substitution of Eu in the rare-earth layer causes pronounced modifications of the superconducting gap and magnetic interactions in Nd-based nickelates, opening new pathways to engineer high- T c superconductivity in infinite-layer nickelates.

36 MATERIALS SCIENCE↗

REBOUND: Reverse Engineering Bidirectional Outflow Under Non-Equilibrium Diffusion

Rare-earth elements (REEs) are essential for electronics, renewable energy, and defense technologies. However, the current supply of REEs relies on mining concentrated in a few countries and energy-intensive separations. DOE’s Basic Energy Sciences (BES) program has launched a grand challenge which aims to ensure a sustainable supply of critical REEs by developing innovative and environmentally friendly separation methods. As an alternative to costly and harmful traditional methods, the Non-Equilibrium Transport Driven Separations (NETS) initiative has created a microfluidic Y-channel co-flow method that applies external fields to exploit magneto- and electrohydrodynamic effects for separating dilute REE ions from complex feedstocks. Computational fluid dynamics (CFD) studies have identified a few operating conditions with promising ion selectivity and separation efficiency. However, challenges remain regarding Y-channel versatility across feedstocks and accurate incorporation of physical phenomena into CFD models. In this work, we develop a multi-fidelity modelling approach which integrates experimental results with CFD simulation to build a surrogate model for the dependence of separation efficiency to variation of design parameters. The surrogate model enables a reinforcement learning (RL) method to adaptively launch CFD and experimental runs, improving model fidelity around optimal Y-channel parameters.

36 MATERIALS SCIENCE↗

Ferroaxial density wave from intertwined charge and orbital order in rare-earth tritellurides

The discovery of the axial amplitude mode—commonly referred to as the Higgs mode—in charge density wave systems, such as rare-earth tritellurides, indicates the presence of a hidden order. A theoretical study proposed that this axial Higgs mode arises from a hidden orbital texture of the charge density wave, which produces a ferroaxial charge order. However, experimental evidence for the specific hidden order has been lacking. Here, we demonstrate a ferroaxial order of electronic origin throughout the rare-earth tritellurides. In ErTe 3 and HoTe 3 , which exhibit two distinct charge density waves with different ordering temperatures, a detailed investigation shows that the high-temperature charge order phase breaks translational, rotational and all vertical as well as diagonal mirror symmetries. Furthermore, this phase produces an axial Higgs mode and an axial electronic gap. By contrast, the low-temperature phase breaks only translational symmetry and gives rise to a scalar Higgs mode. Notably, both phases preserve the space inversion and time-reversal symmetries. These findings are consistent with a ferroaxial phase driven by coupled orbital and charge orders, highlighting the role of Higgs modes in revealing hidden orders in systems with intertwined charge density waves.

36 MATERIALS SCIENCE↗

Collinear ferromagnetism with reduced moment length in kagome magnet Nd 3 ⁢Ru 4 ⁢Al 12

Here, we determine the magnetic ground state of the kagome lattice magnet Nd 3 ⁢Ru 4⁢ Al 12 by single-crystal neutron diffraction, supported by experiments with polarized neutrons. We identify this material as a collinear ferromagnet (“hex-FM”) with uniform moment length and ordering vector 𝑸 = 0, in contrast to a previous, seminal report that proposed unequal moment lengths on two Nd sites, here called the “ortho-FM” state. Our analysis of the flipping ratio in polarized neutron scattering is consistent with the hex-FM state. The results provide a microscopic basis for understanding the large fluctuation-induced Hall and Nernst responses near 𝑇 C ≈ 41K, as previously reported for Nd 3 ⁢Ru 4 ⁢Al 12 .

RKKY interaction↗

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↗

High Entropy Rare-earth Oxide (HERO) Coatings for Refractory Alloys

The HERO coating was developed to protect refractory alloys for application in the harsh hot section of the turbine engine environment addressing ARPA-E ULTIMATE Project Topic 2: Coating Development. The effort was both innovative in its utilization of high entropy rare earth oxides as well as transformational in our approach: holistic design of a single layer thermal/environmental barrier coating (T/EBC) for refractory alloys, with an excellent coefficient of thermal expansion (CTE) match to the alloy substrate, chemical compatibility with the underlying alloy, low oxidant permeability, stability in combustion environments, low thermal conductivity, thermal shock resistance, and resistance to degradation by siliceous debris (calcium magnesium alumino-silicates-CMAS). The high entropy rare earth oxide approach enables two critical coating properties: tailoring CTE match to the substrate and, most significantly, substantially reduced thermal conductivity. The summation of these proposed coating capabilities goes well beyond the technical requirements specified in the ULTIMATE program objectives, and additionally is essential for a successful first stage turbine blade application.

36 MATERIALS SCIENCE↗

Quench Propagation On Rare-Earth Barium Copper Oxide (REBCO) Tape

Rare Earth Barium Copper Oxide (REBCO) is a high‑temperature superconducting material that has zero electrical resistance. A quench occurs when a section of the superconductor suddenly transitions to a resistive state after exceeding its critical current. This localized loss of superconductivity generates a voltage rise, serving as an essential signal for quench detection and protection. While capable of carrying extremely high currents, REBCO is mechanically brittle and have slow quench propagation which makes voltage change difficult to detect.

Ju, Han [Northwestern U.]↗