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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Scaling behavior and giant field enhancement of the thermal conductivity in the honeycomb antiferromagnet BaCo 2⁢ (AsO 4 ) 2

The layered honeycomb material BaCo 2 (AsO 4 ) 2 is of topical interest because its magnetic state is related to that of the Kitaev magnet α-RuCl 3 . Using thermal transport to probe how magnetic excitations interact with phonons in the magnetically disordered regime, we have uncovered an unusually large enhancement of the thermal conductivity κ xx in an in-plane magnetic field H. Just above the Néel temperature T N , a field of 13 T increases κ xx by a factor of ∼ 211, which is very large compared to other magnetic insulators. Interestingly, κ xx (H, T) exhibits a scaling behavior in the entire magnetically disordered region that surrounds the ordered zigzag state. The ratio Δκ xx (H, T)/κ xx (13, T), measured throughout the disordered region, collapses to a one-parameter scaling function exp(−1/gx) (where x = μ B B/k B T and g is a constant).

36 MATERIALS SCIENCE↗
DOE OSTI2024

Effect of Ni substitution on the fragile magnetic system La 5 Co 2 Ge 3

La 5⁢ Co 2 ⁢Ge 3 is an itinerant ferromagnet with a Curie temperature T C of ~3.8K and a remarkably small saturated moment of 0.1µ B /Co. Here we present the growth and characterization of single crystals of the La 5 ⁢(Co 1–x⁢ Ni x ) 2 Ge 3 series for 0.00 ≤ x ≤ 0.186. Here we measured powder x-ray diffraction, composition as well as anisotropic temperature-dependent resistivity, temperature and field-dependent magnetization along with heat capacity on these single crystals. We also measured muon-spin rotation/relaxation (μ⁢SR) for some Ni substitutions (x = 0.027,0.036,0.074) to study the evolution of internal field with Ni substitution. Using the measured data we infer a low temperature, transition temperature-composition phase diagram for La 5 ⁢(Co 1–x ⁢Ni x ) 2 Ge 3 . We find that T C is suppressed for low dopings, x ≤ 0.014; whereas for 0.036 ≤ x ≤ 0.186, the samples are antiferromagnetic with a Néel temperature T N that goes through a weak and shallow maximum (T N ~ 3.4K for x~0.07) and then gradually decreases to 2.4 K by x = 0.186. For intermediate Ni substitutions, 0.016 ≤ x ≤ 0.027, two transition temperatures are inferred with T N >T C . Whereas the T–x phase diagram for La 5 ⁢(Co 1–x ⁢Ni x ) 2 Ge 3 and the T–p phase diagram determined for the parent La 5 ⁢Co 2 ⁢Ge 3 under hydrostatic pressure are grossly similar, changing from a low-doping or low-pressure ferromagnetic (FM) ground state to a high-doped or high-pressure antiferromagnetic (AFM) state, perturbation by Ni substitution enabled us to identify an intermediate doping regime where both FM and AFM transitions occur.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Observation of Thermally Induced Piezomagnetic Switching in Cu 2 OSeO 3 Polymorph Synthesized under High-Pressure

A polymorph of Cu 2 OSeO 3 with the distorted kagome lattice is successfully obtained using the high-pressure synthesis technique (Cu 2 OSeO 3 -HP). The structural analysis using X-ray and neutron powder diffraction suggests that the tetrahedral Cu 2+ clusters [similar to those in Cu 2 OSeO 3 ambient-pressure phase (Cu 2 OSeO 3 -AP)] exist in Cu 2 OSeO 3 -HP but with three symmetry inequivalent sites. No structural change is observed between 1.5 K and the room temperature. The complex magnetic H-T phase diagram is established based on the temperature- and field-dependent magnetization data, indicating two distinct antiferromagnetic phases at low and intermediate temperatures, in addition to the higher-temperature spin-glass-like phase. The low temperature phase is identified by neutron powder diffraction refinements as a canted noncollinear antiferromagnetic order with a weak ferromagnetic component along the b-axis. Size of the refined ordered moment is ≈1.00(4) µ B in Cu 2 OSeO 3 -HP, indicating a large enhancement compared to that of Cu 2 OSeO 3 -AP (≈0.61 µ B ). By applying a uniaxial stress, finite enhancement of weak ferromagnetic component in the noncollinear antiferromagnetic phase in Cu 2 OSeO 3 -HP is observed, which is the clear evidence of the piezomagnetic effect. Interestingly, the sign of the induced magnetization changes on heating from the low-temperature to the intermediate-temperature phases, indicating a novel piezomagnetic switching effect in this compound.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Investigation of experimental signatures of spin glass transition temperature

We present a series of temperature and field-dependent magnetization studies of large single-crystal spin glass samples, focusing on both field-cooled (FC) and zero-field-cooled (ZFC) magnetization studies, as well as ac susceptibility measurements. Using the above experimental techniques we aim to understand the nature of spin glass transition in presence of a field, a key factor in understanding the properties of these systems. Building on previous studies that have explored magnetic signatures indicative of spin glass transitions, our research employs a systematic approach to refine the identification of this transition temperature. Through static and dynamic measurements, we aim to shed light on the open issues regarding the key markers of spin glass transitions, enhancing our understanding of these complex systems.

36 MATERIALS SCIENCE↗
DOE OSTI2024

ReaxFF Reactive Force Field for Exploring Electronically Switchable Polarization in Zn 1– x Mg x O Ferroelectric Semiconductors

Cation misfit in traditional ferroelectric crystals offers a new material platform that can drive electronic components toward structural miniaturization and high-density integration, enabling deviation from von-Neumann architectures. Here, we explore ferroelectricity in Zn 1–x Mg x O, a nontraditional ferroelectric material with tunable properties. Using data from density-functional theory calculations, we have developed a ReaxFF reactive force field to explore the ferroelectric properties of Zn 1–x Mg x O and reveal the hysteresis behavior. We discover that ferroelectric switching can be observed at a critical thickness of 10 nm with a residual polarization of ~100 μC/cm 2 . Our analysis indicates that an increase in Mg-substitution correlates with a decrease in the coercive field. We also observe a strong temperature dependence of the coercive field in Zn 1–x Mg x O, with values decreasing as the temperature increases. Additionally, we find that the distribution of Mg atoms significantly impacts the coercive field, with a clustered distribution leading to a substantial increase. In particular, a decrease in coercive field values is observed when Mg atoms are randomly distributed, compared to uniform distribution. Furthermore, leveraging tunable hysteresis behavior offered by varied percentages and distribution of Mg-substitution provides valuable insights into the design of next-generation functional devices and will inspire further investigations.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Anomalous resistivity and electron heating by lower hybrid drift waves inside reconnecting current sheets

Inside an electron diffusion region of laboratory reconnection experiments, the quasi-electrostatic lower hybrid drift wave (ES-LHDW) is observed when a significant guide field component is present. Through direct measurement of the anomalous drag term and quasilinear analysis, it is shown that ES-LHDW can account for approximately 20% of the mean reconnection electric field in a case with moderate guide field. This value exceeds the contribution from classical resistivity, which is around 10%. The effects of the Lorentz force term, often neglected for electrostatic waves, are crucial for the observed correlation between electric field and density fluctuations. Anomalous electron heating by the perturbed current and resistivity (2.6 MW/m 3 ) also surpasses the classical Ohmic heating, which is about 2.0 MW/m 3 . For the case with a high guide field, significantly higher local electron temperatures were observed during periods of strong ES-LHDW activity. A statistical analysis further supports electron heating by LHDW, showing a larger increase in electron temperature with a high guide field. Finally, data from the Magnetospheric Multiscale mission provide evidence of Landau damping of ES-LHDW, suggesting that ES-LHDW may contribute to the generation of nonthermal electrons along the direction parallel to the magnetic field.

Magnetic reconnection↗
DOE OSTI2024

Overview of Quantum Sensing Materials and Techniques for Energy Sector Applications

The energy sector is dependent upon highly sensitive sensing devices for a wide range of applications. Variables such as temperature, pH, electromagnetic fields, and pressure must be measured with high precision, often in harsh conditions (e.g. high temperature, pressure and humidity). These sensors are deployed in infrastructure such as transformers, pipelines, mines, nuclear power plants, and other areas to ensure safe operating conditions and uninterrupted, optimized service. Moreover, new opportunities for sensors have emerged due to the expansion of smart grids/meters, driverless vehicles, and the discovery of new oil/gas deposits. The continued maturation of quantum sensors offers exciting opportunities for quantum-enhanced measurements to improve sensitivity beyond the classical limit. Here, an overview of established and emerging quantum materials and methods for sensing applications will be provided. Opportunities within the energy sector for quantum sensors will then be analyzed, including oil/gas discovery, greenhouse gas emission monitoring, pH and ion sensing, current measurements, and quantum-enhanced spectroscopy, along with barriers such as quantum sensor platform miniaturization and ruggedization. A specific project at the National Energy Technology Laboratory involving the functionalization of qubits using metal-organic frameworks for enhanced quantum sensing will then be highlighted. Here, nitrogen vacancy centers (NV) in nanodiamonds, a commercially available qubit with long coherence times and utilizable quantum properties at room temperature, are encapsulated using the metal-organic framework ZIF-8. Significantly, the ZIF-8 coating increases the longitudinal spin relaxation lifetime of the NV centers, an important parameter for spin relaxometry-based quantum sensing experiments. These results demonstrate the importance of qubit functionalization as a crucial step for rationally designing high performance quantum sensors.

Crawford, Scott↗
DOE OSTI2024

Polymorphism of Pb 5 (PO 4 ) 3 OH δ within the LK-99 mixture

During the synthetic exploration targeting the polycrystalline compound LK-99, an unexpected phase, Pb 5 (PO 4 ) 3 OH δ , was identified as a byproduct. We elucidated the composition of this compound through single-crystal X-ray diffraction analysis. Subsequent synthesis of the target compounds was achieved via high-temperature solid-state pellet reactions. The newly identified Pb 5 (PO 4 ) 3 OH δ has an orthorhombic crystal structure with space group Pnma , representing a unique structure differing from the hexagonal apatite phases of Pb 10 (PO 4 ) 6 O and Pb 5 (PO 4 ) 3 OH. Comprehensive temperature- and magnetic-field-dependent magnetization studies unveiled a temperature-independent magnetic characteristic of Pb 5 (PO 4 ) 3 OH δ . Solid-state nuclear magnetic resonance spectroscopy was employed to decipher the origins of the phase stability and confirm the presence of hydrogen atoms in Pb 5 (PO 4 ) 3 OH δ . These investigations revealed the presence of protonated oxygen sites, in addition to the interstitial water molecules within the structure, which may play critical roles in stabilizing the orthorhombic phase.

Xu, Mingyu (ORCID:0000000171386009)↗
DOE OSTI2026

Critical structural parameter determining magnetic phases in the F⁡e 2 ⁢M⁢o 3 ⁢O 8 altermagnet system

A systematic structural investigation of F⁡e 2 ⁢M⁢o 3⁢ O 8 as a function of pressure, temperature, and magnetic field reveals that the 𝑃⁢6 3 ⁢𝑚⁢𝑐 space group remains robust over a wide range of conditions. No changes in the long-range crystal structure are observed for pressures up to 10 GPa, temperatures between 11 K and 300 K, and magnetic fields up to 9 T. The magnetostructural response, quantified by Δ⁢𝑐/𝑐, is determined for magnetic fields applied transverse to the crystallographic 𝑐 axis, demonstrating strong magnetoelastic coupling. The well-known magnetic-field-induced transition is confirmed to be first order and isostructural, occurring between two distinct altermagnetic states. Importantly, this transition can also be accessed using magnetic fields applied within the 𝑎𝑏 plane. When expressed in terms of the 𝑐/𝑎 ratio, the structural evolution under pressure (0–10 GPa) maps continuously onto that observed across the full Zn substitution range in (F⁡e 1−𝑦⁢ Z⁢n 𝑦 )2 M⁢o 3 ⁢O 8 ⁢(0 ≤ 𝑦 ≤ 1), indicating a common underlying structural control parameter. Furthermore, these results demonstrate that the 𝑐-axis lattice parameter is the primary structural degree of freedom governing magnetic behavior under external tuning parameters. More broadly, they indicate that magnetic order in this family of complex oxides (𝐴 2 ⁢M⁢o 3 ⁢O 8 , 𝐴 = Co,Mn,Ni) can be systematically tuned via pressure. This tunability highlights these materials as promising platforms for controllable magnetic switching, particularly in thin films integrated with piezoelectric substrates.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Magnetic order and physical properties of the kagome metal UNb 6 ⁢Sn 6

The 𝑅⁢𝑀 6 ⁢𝑋 6 family of materials (𝑅 = rare-earth, 𝑀 = transition metal, 𝑋 = Ga, Si, Ge, Sn) produces an array of emergent phenomena, such as charge density waves, intrinsic Hall effects, and complex magnetic order, due to its kagome net of transition metal atoms, its local-moment magnetic anisotropies, and its extensive chemical tunability. Here, in this study, we report UNb 6⁢ Sn 6 , a new “166” material containing both an actinide and a 4⁢𝑑 transition metal, along with its nonmagnetic analog ThNb6⁢Sn6, to investigate the properties of a 5⁢𝑓−4⁢𝑑 electron 166 system. UNb 6 ⁢Sn 6 crystallizes in the hexagonal 𝑃⁢6/𝑚⁢𝑚⁢𝑚 space group with a small degree of disorder due to shifts in the size of the CoSn-like cages along the 𝑐 axis. Upon cooling at zero magnetic field, the material undergoes two magnetic phase transitions at 𝑇 2 = 46K and 𝑇 N = 43K. The low-temperature, zero-field phase is an antiferromagnet with ordered uranium moments and a k = (0,0,1/2) propagation vector determined by neutron diffraction. Remarkably, with a magnetic field applied along the 𝑐 axis, five additional magnetic transitions occur, evidenced by magnetization and resistivity data, before the moment saturates at 2.62 𝜇 B /U at 2 K and ≥ 13.6T. In two magnetic phase regions, the Hall resistivity of UNb 6⁢ Sn 6 significantly deviates from the magnetization, suggesting that the phases have a large Berry curvature or a change in the Fermi surface. The unknown magnetic ordering of the field-dependent phases of UNb 6⁢ Sn 6 demonstrates the complexity of the 5⁢𝑓−4⁢𝑑 166 system and encourages further study of its properties.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Spectroscopic Signatures of Phonon Character in Molecular Electron Spin Relaxation

Spin–lattice relaxation constitutes a key challenge for the development of quantum technologies, as it destroys superpositions in molecular quantum bits (qubits) and magnetic memory in single molecule magnets (SMMs). Gaining mechanistic insight into the spin relaxation process has proven challenging owing to a lack of spectroscopic observables and contradictions among theoretical models. Here, we use pulse electron paramagnetic resonance (EPR) to profile changes in spin relaxation rates (T 1 ) as a function of both temperature and magnetic field orientation, forming a two-dimensional data matrix. For randomly oriented powder samples, spin relaxation anisotropy changes dramatically with temperature, delineating multiple regimes of relaxation processes for each Cu(II) molecule studied. We show that traditional T 1 fitting approaches cannot reliably extract this information. Single-crystal T 1 anisotropy experiments reveal a surprising change in spin relaxation symmetry between these two regimes. We interpret this switch through the concept of a spin relaxation tensor, enabling discrimination between delocalized lattice phonons and localized molecular vibrations in the two relaxation regimes. Variable-temperature T 1 anisotropy thus provides a unique spectroscopic method to interrogate the character of nuclear motions causing spin relaxation and the loss of quantum information.

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

Interpretable Deep Learning for Advancing Field-Enhanced Catalysis

This DOE Early Career project developed a physics-informed, interpretable AI-and-modeling framework to understand and exploit electric-field effects in heterogeneous catalysis, with ammonia cracking and synthesis as a representative pathway. The team built and validated methods to map local electric fields on metal surfaces and nanoparticles, showing that low-coordination features (tips/edges/corners) can concentrate fields by several-fold relative to flat facets. Using DFT-generated datasets, the project created physics-guided machine learning models that rapidly predict local electric fields and field-dependent adsorption energetics with near-DFT accuracy while reducing computational cost by orders of magnitude. These predictions were integrated with microkinetic modeling to quantify how field-dipole interactions reshape reaction energetics and mechanisms, enabling large increases in predicted catalytic rates and substantial reductions in operating temperature under favorable field conditions. To accelerate discovery of earth-abundant catalysts, the project combined interpretable ML screening (with electronic-structure descriptors identified as key drivers) with a generative inverse-design workflow based on diffusion models and physics constraints. The resulting closed-loop approach, linking simulation, mechanistic modeling, and AI, provides reusable tools and datasets for designing catalysts and operating conditions in field-enhanced catalysis, with broad relevance to electrostatic catalysis, plasma catalysis, electrocatalysis, and other energy-related chemical transformations.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2026

Enhancing CMC Temperature Performance in High Hydrogen Environments using Field Assisted Sintering Technology

This final report summarizes the developments in field assisted sintering technology (FAST) for rapid fabrication of ceramic matrix composite (CMC) materials with integrated environmental barrier coatings (EBCs), as well as their performance in a representative gas turbine combustor environment including stagnant flame zones, and high velocity product zones. CMCs are a possible high temperature tolerant material system for gas turbine engines, which are currently the dominant source of electric power production and the primary source of aircraft propulsion. However, CMCs are costly and time-consuming (on the order of weeks to months) to fabricate, and CMCs based on silicon carbide (SiC) ceramics are susceptible to water vapor degradation requiring the use of specialized EBCs. The manufacturing technique known as FAST can create consolidated parts in as little as a few hours using high pressure and temperature, and may be useful to integrate EBCs into CMCs directly during consolidation.

08 HYDROGEN↗
DOE OSTI2024

Interplay between Topological States and Rashba States as Manifested on Surface Steps at Room Temperature

The unique spin texture of quantum states in topological materials underpins many proposed spintronic applications. However, realizations of such great potential are stymied by perturbations, such as temperature and local fields imposed by impurities and defects, that can render a promising quantum state uncontrollable. Here, in this study, we report room-temperature scanning tunneling microscopy/spectroscopy observation of interaction between Rashba states and topological surface states, which manifests local electronic structure along step edges controllable by the layer thickness of thin films. The first-principles theoretical calculation elucidates the robust Rashba states coexisting with topological surface states along the surface steps with characteristic spin textures in momentum space. Furthermore, the Rashba edge states can be switched off by reducing the thickness of a topological insulator Bi 2 Se 3 to bolster their interaction with the hybridized topological surface states. The study unveils a manipulating mechanism of the spin textures at room temperature, reinforcing the necessity of thin film technology in controlling the quantum states.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Electrostatic gate-controlled quantum interference in a high-mobility two-dimensional electron gas at the (La 0.3 ⁢Sr 0.7 )(Al 0.65 ⁢Ta 0.35 )O 3 /SrTiO 3 interface

Here, we report quantum oscillations in magnetoresistance that are periodic in magnetic field (𝐵), observed at the interface between (La 0.3 ⁢Sr 0.7 )(Al 0.65 ⁢Ta 0.35 )O 3 and SrTiO 3 . Unlike Shubnikov–de Haas oscillations, which appear at magnetic fields > 7 T and diminish quickly as the temperature rises, these 𝐵-periodic oscillations emerge at low fields and persist up to 10 K. Their amplitude decays exponentially with both temperature and field, specifying dephasing of quantum interference. Increasing the carrier density through electrostatic gating results in a systematic reduction in both the amplitude and frequency of the oscillations, with complete suppression beyond a certain gate voltage. We attribute these oscillations to the Altshuler-Aronov-Spivak effect, likely arising from naturally formed closed-loop paths due to the interconnected quasi-one-dimensional conduction channels along SrTiO 3 domain walls. The relatively long phase coherence length (≃ 1.8 µ⁢m at 0.1 K), estimated from the oscillation amplitude, highlights the potential of complex oxide interfaces as a promising platform for exploring quantum interference effects and advancing device concepts in quantum technologies, such as mesoscopic interferometers and quantum sensors.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Quadratic magnetoresistance across the insulator–metal transition in V4O7 thin films

We present a comparative magnetotransport study of V4O7 thin films grown simultaneously on single-crystal Al2O3 (r-cut) and amorphous SiO2 substrates, to examine substrate-induced effects on electronic transport across the insulator–metal transition (IMT). Temperature-dependent resistivity reveals a broad electronic ordering regime below the IMT, with both films exhibiting similar transition temperatures but differing by nearly an order of magnitude in absolute resistivity. Despite this strong substrate dependence of the resistivity scale, the magnetoresistance remains predominantly quadratic in magnetic field over wide temperature intervals for both substrates. Analysis of the quadratic magnetoresistance defines an effective mobility scale that evolves systematically across the IMT and exhibits a similar temperature dependence for the two films. Structural characterization, including atomic-resolution scanning transmission electron microscopy of the V4O7/Al2O3 interface and azimuthal X-ray diffraction measurements, reveals a sharp interface and well-defined in-plane crystallographic registry for the r-cut film, in contrast to the rotationally averaged in-plane structure expected for films grown on amorphous SiO2. These results indicate that while substrate-controlled structural registry modifies the resistivity scale, the quadratic magnetotransport response across the IMT remains largely robust, providing a consistent diagnostic of electronic transport in V4O7 thin films.

25 ENERGY STORAGE↗
DOE OSTI2026

Improving thermodynamic nudging in the E3SM Atmosphere Model version 2 (EAMv2): strategy and hindcast skills on weather systems

Nudging techniques are commonly employed to constrain atmospheric simulations toward observed states, facilitating model evaluation and sensitivity studies. However, if applied improperly – particularly to thermodynamic variables such as temperature and humidity – nudging can distort physical processes and introduce spurious biases, undermining the credibility of the simulations. This study presents an improved nudging implementation that applies vertically modulated tendencies to reduce adverse impacts on model physics. The framework is tested in version 2 of the Energy Exascale Earth System Model (EAMv2) using a suite of hindcast simulations nudged toward ERA5 reanalysis. We systematically evaluate the individual and combined effects of nudging wind, temperature, and humidity fields on the model's ability to represent large-scale atmospheric states and high-impact weather systems. Results show that the revised strategy – particularly when nudging temperature and humidity at selected levels – enhances hindcast skill by improving agreement with ERA5 without degrading the hydrological cycle or precipitation processes. Additional improvements in surface temperature, outgoing longwave radiation, and precipitation biases are achieved through targeted nudging of land-surface variables. The proposed approach strengthens the representation of large-scale conditions relevant to tropical cyclones, atmospheric rivers, and extratropical cyclones in the low-resolution EAMv2. These findings demonstrate that carefully designed thermodynamic nudging, especially of temperature and humidity, improves the realism of constrained simulations and broadens the utility of nudged EAMv2 for atmospheric modeling, machine learning, and high-impact weather research.

Atmospheric river↗