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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Atomic-Scale Tracking of Topological Defect Motion and Incommensurate Charge Order Melting

Charge order pervades the phase diagrams of quantum materials where it competes with superconducting and magnetic phases, hosts electronic phase transitions and topological defects, and couples to the lattice generating intricate structural distortions. Incommensurate charge order is readily stabilized in manganese oxides, where it is associated with anomalous electronic and magnetic properties, but its nanoscale structural inhomogeneity complicates precise characterization and understanding of its relationship with competing phases. Leveraging atomic-resolution variable-temperature cryogenic scanning transmission electron microscopy, we characterize the thermal evolution of charge order as it transforms from its ground state in a model manganite system. We find that mobile networks of discommensurations and dislocations generate phase inhomogeneity and induce global incommensurability in an otherwise lattice-locked modulation. Driving the order to melt at high temperatures, the discommensuration density grows, and regions of order locally decouple from the lattice periodicity. Published by the American Physical Society 2025

Schnitzer, Noah (ORCID:0000000210421146)↗
DOE OSTI2026

Multiphysics Analyses of the Protected and Unprotected Loss of Forced Cooling Accidents in the HTR-PM

Here, we present the multiphysics simulation results for the protected pressurized and depressurized loss of forced cooling (PLOFC and DLOFC) events in the High-Temperature gas-cooled Reactor--Pebble-bed Module (HTR-PM) equilibrium core using the Griffin-Pronghorn coupled code system. Additionally, this paper discusses the strategy for estimating the spontaneous fission neutron source needed for unprotected events and re-criticality calculations. The solutions of the protected PLOFC and DLOFC events were verified against similar solutions obtained for temperature evolutions from the open literature. Both the average and maximum pebble surface temperatures behaved as expected during the DLOFC and remained below 1800 K. The PLOFC results are highly dependent on the ability to resolve the natural circulation in the core, which is impacted by the mesh resolution in Pronghorn. Furthermore, we present the results of the unprotected DLOFC transient to predict the timing of the re-criticality event, which occurred 47 hours after the onset of the transient, and the new steady-state power of 1.3 MW.

42 - ENGINEERING↗
DOE OSTI2023

Automated Design-for-Reliability of a Power Electronics Module

The design of a power electronics module is a multiphysics problem and involves electrical, thermal, and reliability targets and constraints. Although the electrical and thermal design consider multiple aspects such as materials, geometry, and energy losses, reliability design is often limited to the selection of the attachment materials and electrical interconnect types. In this paper, we incorporate reliability metrics in the design phase by investigating the impact of package geometry on the thermomechanical behavior of the die-attachment material. To this end, we conducted thermal and power cycling simulations of a commercial six-pack power module with silicon carbide devices to compute junction temperature and strain energy density per cycle, respectively. We performed multiple simulations with different geometric dimensions and established a correlation between input features and output variables using subspace-based dimension reduction. The machine learning-based dimension reduction method serves as a surrogate model, which can be employed to identify the optimal module design from a thermal and reliability standpoint.

design-for-reliability↗
DOE OSTI2023

Steady global surface warming from 1973 to 2022 but increased warming rate after 1990

The change in global mean surface temperature is a crucial and broadly used indicator of the evolution of climate change. Any decadal scale changes in warming rate are however obfuscated by internal variability. Here we show that the surface temperature increase through the recent La Nina influenced years (2022) is consistent with the 50-year trend of 0.18 °C/decade. We use an Earth System Model based tool to filter out modulations to the warming rate by sea-surface temperature patterns and find consistent warming rates in four major global temperature data series. However, we also find clear indications, in all observational series, of a step-up in warming rate since around 1990. CMIP6 models generally do not capture this observed combination of long-term warming rate and recent increase.

58 GEOSCIENCES↗
DOE OSTI2026

The Modulated Crystal Structure of K 2 V 3 O 8

Weak lattice distortions can tune exchange pathways and magnetic interactions in square-lattice quantum magnets. K 2 V 3 O 8 is a mixed valence (V 4+ /V 5+ ) fresnoite oxide that exhibits strong spin–lattice coupling at low temperature. Here, we combine single-crystal neutron diffraction (90 K) and laboratory X-ray diffraction (50 K) to solve the low-temperature structure as an orthorhombic (3 + 1)D incommensurately modulated phase in superspace group Cmm2(β,0,1/2)0s0 [No. 196]. What initially appeared as two independent modulation vectors, q 1 = 0.3132(6)[$110$] + 1/2c* and q 2 = 0.3132(6)[$1\bar{10}$] + 1/2c*, are more naturally described as a single one-dimensional modulation wave q = 0.626(1)a* + 1/2c* in a C-centered orthorhombic lattice, related to the parent tetragonal cell by the transformation a + b, −a + b, c. Refinement with a 4-fold rotational twin inherited from the P4bm parent structure solves oxygen-dominated framework distortions and K + displacements. A de Wolff section (t = 0.40) enables a symmetry-mode decomposition, identifying three dominant mm2 (C 2v ) modes: GM3 for framework tilt, A5 for interlayer shear, and Z5 for c-axis breathing. The mode-resolved structure provides a unified, symmetry-based explanation for reported low-temperature Raman and IR anomalies and clarifies the structural origin of the spin–lattice coupling in the S = 1/2 two-dimensional quantum spin compound.

K2V3O8↗
DOE OSTI2021

Conformal High-Power-Density Half-Heusler Thermoelectric Modules: A Pathway toward Practical Power Generators

Thermoelectric generators (TEGs) exploiting the Seebeck effect provide a promising solution for waste heat recovery. Among the large number of thermoelectric (TE) materials, half-Heusler (hH) alloys are leading candidates for medium- to high-temperature power generation applications. However, the fundamental challenge in this field has been inhomogeneous material properties at large wafer diameters, insufficient power output from the modules, and rigid form factors of TE modules. This has restricted the transition of TEGs in practical applications for over three decades. Here, we successfully demonstrate large diameter wafers with uniform TE properties, high-power conformal hH TE modules for high-temperature application, and their direct integration on flue gas platforms, such as cylindrical tubes, to form large area flexible TEGs. This new conformal architecture design provides a breakthrough toward medium-/high-temperature TEGs over the conventional BiTe- and polymer-based flexible TEG design. In this work, a variable fill factor and greater flexibility due to the conformal design result in higher device performance as compared to conventional rigid TEG devices. Modules with 72-couple hH legs exhibit a device high-power-density of 3.13 W cm-2 and a total output power of 56.6 W under a temperature difference of 570 degrees C. These results provide a promising pathway toward widespread utilization of thermoelectric technology into the waste heat recovery application and will have a significant impact on the development of practical thermal to electrical converters.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

Tunable Ferromagnetism in LaCoO 3 Epitaxial Thin Films

We report ferromagnetic insulators play a crucial role in the development of low-dissipation quantum magnetic devices for spintronics. Epitaxial LaCoO 3 thin film is a prominent ferromagnetic insulator, in which the robust ferromagnetic ordering emerges owing to epitaxial strain. Whereas it is evident that strong spin-lattice coupling induces ferromagnetism, the reported ferromagnetic properties of epitaxially strained LaCoO 3 thin films are highly consistent. For example, even under largely modulated degree of strain, the reported Curie temperatures of epitaxially strained LaCoO 3 thin films lie in a narrow range of 80–85 K, without much deviation. In this study, substantial enhancement (≈18%) in the Curie temperature of epitaxial LaCoO 3 thin films is demonstrated via crystallographic orientation dependence. By changing the crystallographic orientation of the films from (111) to (110), the crystal-field energy is reduced and the charge transfer between the Co and O orbitals is enhanced. These modifications lead to a considerable enhancement of the ferromagnetic properties (including the Curie temperature and magnetization), despite the identical nominal degree of epitaxial strain. The findings of this study provide insights into facile tunability of ferromagnetic properties via structural symmetry control in LaCoO 3 .

36 MATERIALS SCIENCE↗
DOE OSTI2023

Ultrafast Control of Interfacial Exchange Coupling in Ferromagnetic Bilayer

Fast spin manipulation in magnetic heterostructures, where magnetic interactions between different materials often define the functionality of devices, is a key issue in the development of ultrafast spintronics. Although recently developed optical approaches such as ultrafast spin-transfer and spin–orbit torques open new pathways to fast spin manipulation, these processes do not fully utilize the unique possibilities offered by interfacial magnetic coupling effects in ferromagnetic multilayer systems. Here, ultrafast optically controlled interfacial exchange interactions in the ferromagnetic Co 2 FeAl/(Ga,Mn)As system at low laser fluence levels are experimentally demonstrated. The excitation efficiency of Co 2 FeAl with the (Ga,Mn)As layer is 30–40 times higher than the case with the GaAs layer at 5 K due to the modification of exchange coupling interaction via photoexcited charge transfer between the two ferromagnetic layers. In addition, the coherent spin precessions persist to room temperature, excluding the drive of pump-modulated magnetization in the (Ga,Mn)As layer and indicating a proximity-effect-related optical excitation mechanism. The results highlight the importance of interfacial exchange interactions in ferromagnetic heterostructures and how these magnetic coupling effects can be utilized for ultrafast, low-power spin manipulation.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Intra-catalyst CH 4 oxidation pathways on a Pd/Al 2 O 3 /CeZrO x -based commercial catalyst and implications on NO x conversion profiles for a natural gas vehicle exhaust under lambda modulation

The performance of a three-way catalyst (TWC) in natural gas-powered vehicles is enhanced by periodic changes in air-to-fuel ratio (λ-modulation). The reaction networks and sequences inside the catalyst that facilitate such enhanced performance have not been extensively investigated. Here, this work applied intra-catalyst measurements (SpaciMS) to analyze the transient spatiotemporal gas concentrations inside a Pd-based TWC to establish relationships between CH 4 , NO x , CO and H 2 conversion pathways. Steam reforming and partial oxidation were revealed to be the main CH 4 conversion routes. The cyclic rich-lean conditions combined with the oxygen storage capacity (OSC) of the TWC generate reduced and oxidized zones that are constantly moving within the catalyst, changing the dominant chemical reactions occurring on the surface. In the reduced zones, OSC is depleted while CH 4 is converted through steam reforming and NO x is converted through reactions with H 2 , CO, and other surface-bound reducing fragments formed by CH 4 conversion. In the oxidized zones, OSC is replenished, CH 4 is converted by partial oxidation, and H 2 , CO, and NH 3 are oxidized. The length of lean-rich phases impacts the catalyst performance significantly; too short or too long of a rich or lean phase can lower the overall conversion of reactive species. An inhibition of CH 4 conversion was observed during the rich phase possibly due to CO-poisoning of active sites. The intra-catalyst measurements revealed that the catalyst consists of three distinct reaction zones and their lengths vary with modulation conditions. Various modulation frequencies, amplitudes, λ-centers, and temperatures were investigated which allowed an understanding of how these parameters affect the reaction zones and catalyst utilization. Understandings from this work can enable adaptive λ-control strategies to optimize the overall TWC performance over a range of vehicle operating conditions.

Lean-Rich cycling↗
DOE OSTI2025

Late Metal Sandwich Catalysts for Olefin Polymerization

Polyolefins are by far the most ubiquitous industrially produced polymers and are primarily produced by early transition metal catalysts. These catalysts are not functional group tolerant, and copolymerization of ethylene and polar vinyl monomers is quite challenging. Furthermore, early metal catalysts convert ethylene to linear polyethylene, and introduction of branches requires addition of comonomers. In this Account, we describe our efforts in designing and implementing new Pd(II) and Ni(II) olefin polymerization catalysts based on mechanistic understanding of the chain growth process. Here, the original hindered nickel- and palladium-aryl-substituted diimine complexes were discovered in 1995. The key to the success of these now “classic” systems in generating high polymers rather than dimers or oligomers was realizing that incorporation of ortho-disubstituted aryl groups partially blocks the axial sites of the metal and thus retards the rate of chain transfer relative to propagation. Two key features of these late metal catalysts distinguish them from early metal complexes. First, they tolerate certain functional groups, which allows copolymerization of olefins with polar comonomers. Second, they can form a branched polymer from ethylene without the need to add α-olefin comonomers. Importantly, for nickel catalysts, branching levels can be modulated by changing reaction conditions, such as temperature and monomer pressure.

Catalysts↗
DOE OSTI2020

Perovskite neural trees

Trees are used by animals, humans and machines to classify information and make decisions. Natural tree structures displayed by synapses of the brain involves potentiation and depression capable of branching and is essential for survival and learning. Demonstration of such features in synthetic matter is challenging due to the need to host a complex energy landscape capable of learning, memory and electrical interrogation. We report experimental realization of tree-like conductance states at room temperature in strongly correlated perovskite nickelates by modulating proton distribution under high speed electric pulses. This demonstration represents physical realization of ultrametric trees, a concept from number theory applied to the study of spin glasses in physics that inspired early neural network theory dating almost forty years ago. We apply the tree-like memory features in spiking neural networks to demonstrate high fidelity object recognition, and in future can open new directions for neuromorphic computing and artificial intelligence.

36 MATERIALS SCIENCE↗
DOE OSTI2026

A tunable autonomous RNA-fueled micro-engine

Autonomous molecular machines capable of converting chemical energy into mechanical motion are foundational components for synthetic nanoscale systems. Inspired by biological motors, we report the construction of a tunable, RNA-fueled DNA origami engine that drives the cyclic movement of a 500 nm-diameter particle at the microscale. The engine operates via sequential RNA–DNA hybridization and enzymatic cleavage by RNase H, enabling reversible switching between folded and unfolded conformations without external intervention. By modulating RNA and enzyme concentrations and controlling temperature, we achieve tunable switching kinetics, with transition periods as short as ~10 s. Kinetic modeling reveals that the folding pathway is governed by both productive RNA binding and the enzymatic clearance of misfolded intermediates, while unfolding is primarily controlled by RNase H activity. Since the RNA fuel binds specifically to the DNA strands, each engine is addressable simply by changing the sequences. This work demonstrates a programmable, self-resetting molecular actuator and offers a blueprint for building more complex nanomechanical systems with forces and energies comparable to molecular motors.

DNA nanomachines↗
DOE OSTI2026

Solid-state thermometry via ionic–electronic coupling in two-dimensional heterostructures

The coupling of ionic and electronic transport in solid-state systems offers new opportunities for realizing compact, energy-efficient sensing technologies, yet practical implementations remain limited. In this article, we introduce a two-dimensional iontronic platform based on field-effect transistors that integrate monolayer MoS 2 channels with van der Waals bimetallic thiophosphates ( AB P 2 X 6 , A = Li, Cu, Ag and so on; B = In, Sc and so on; and X = S and Se) as ionic gate dielectrics to realize on-chip thermometry. Specifically, we exploit thermally activated ion migration within the gate dielectric leading to conductance modulation in the MoS 2 channel for temperature sensing. We achieve ~1–2 °C resolution, fast electronic readout and subpicojoule energy consumption in an ultracompact footprint (~1 µm 2 ). Beyond thermometry, these results establish bimetallic thiophosphates as a versatile platform for solid-state iontronics and broaden the functional design space of van der Waals heterostructures for sensing, actuation and adaptive electronics.

42 ENGINEERING↗
DOE OSTI2021

Enhanced surface urban heat islands due to divergent urban-rural greening trends

Abstract Satellite observations show that the surface urban heat island intensity (SUHII) has been increasing over the last two decades. This is often accompanied by an increased urban-rural contrast of vegetation greenness. However, the contribution of uneven vegetation trends in urban and rural areas to the trend of SUHII is unclear, due to the confounding effects of climate change and changes in man-made infrastructures and anthropogenic heat sources. Here we use a data-model fusion approach to quantify such contributions during the peak growing season. We show that the LAI dif (the urban-rural difference of leaf area index) is increasing ( P < 0.05) in 189 of the selected 228 global megacities. The increasing trend of LAI dif from 2000 to 2019 accounts for about one quarter of the trend in satellite-derived SUHII, and the impact is particularly evident in places with rapid urbanization and rural cropland intensification. The marginal sensitivity of SUHII to LAI dif is the strongest in hot-humid megacities surrounded by croplands and in hot-dry megacities surrounded by mixed woody and herbaceous vegetation. Our study highlights the role of long-term vegetation trends in modulating the trends of urban-rural temperature differences.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Spinodal electronic phase separation during insulator-metal transitions

Electronic phase transitions such as insulator-metal transitions are common in strongly correlated systems. Here, using a combination of thermodynamic linear-stability analysis and phase-field simulations and employing VO 2 as a prototypical example, we predict that an insulator-metal transition driven by photoexcitation may involve an intermediate, modulated charge density state with a temperature-dependent characteristic wavelength. It is shown that such an intermediate two-phase electronic state is formed through a spinodal mechanism and that its formation can be generic for insulator-metal transitions driven by fast stimuli. This transient electronic phase separation is expected to stimulate future experimental and computational efforts.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Charge Density Wave in Kagome Lattice Intermetallic ScV 6 Sn 6

Materials hosting kagome lattices have drawn interest for the diverse magnetic and electronic states generated by geometric frustration. In the AV 3 Sb 5 compounds (A=K, Rb, Cs), stacked vanadium kagome layers give rise to unusual charge density waves (CDW) and superconductivity. In this work, we report single-crystal growth and characterization of ScV 6 Sn 6 , a hexagonal HfFe 6 Ge 6 -type compound that shares this structural motif. We identify a first-order phase transition at 92 K. Single crystal x-ray and neutron diffraction reveal a charge density wave modulation of the atomic lattice below this temperature. This is a distinctly different structural mode than that observed in the AV 3 Sb 5 compounds, but both modes have been anticipated in kagome metals. The diverse HfFe 6 Ge 6 family offers more opportunities to tune ScV 6 Sn 6 and explore density wave order in kagome lattice materials.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Atomic structure and formation mechanism of a newly discovered charge density wave in the m = 2 monophosphate tungsten bronze

The m = 2 member of the monophosphate tungsten bronze family had been thought to be the only one without an electronic instability at low temperature. In this paper, we report the discovery of a charge density wave phase in this compound, with a transition temperature of 290 K and an incommensurate modulation vector q = 0.245b* + ξc*, which reaches a lock-in with a commensurate vector at 130 K. The presence of this new phase is confirmed by diffraction and resistivity measurements. Pre-transitional dynamics are investigated using diffuse and inelastic X-ray scattering, revealing a clear Kohn anomaly. We analyze both structural and electronic contributions to the phase transition, providing a comprehensive picture of the mechanism driving this newly identified instability.

Minelli, Arianna [ORNL] (ORCID:0000000283103712)↗
DOE OSTI2020

Power Generation Cycle with RELAP-7

Balance of plant of a High-Temperature gas-cooled Reactor – Pebble bed Module (HTR-PM) is modeled using RELAP-7. The model includes the primary helium loop where the heat produced by the core is transferred to a helical-coil steam generator and the secondary loop where super-heated steam is fed to a turbine to extract power. The steam is then condensed to subcooled water and pumped back into the steam generator. Results demonstrate that RELAP-7 has the capability to model different regimes encountered in two-phase flow with wall boiling, superheated steam, subcooled liquid and condensation. RELAP-7 also has the capability of modeling different fluids with their own specific models in a very flexible way, without any code change. This also demonstrates the capability of modeling the transfer of fission power into electrical power.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗