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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Observation of band splitting and magnetically induced band structure reconstruction in TbTi 3 ⁢Bi 4

The magnetic kagome materials are a promising platform to study the interplay between magnetism, topology, and correlated electronic phenomena. Among these materials, the 𝑅⁢Ti 3 ⁢Bi 4 family received a great deal of attention recently because of its chemical versatility and wide range of magnetic properties. Here, we use angle-resolved photoemission spectroscopy measurements and density functional theory calculations to investigate the electronic structure of TbTi 3 ⁢Bi 4 in paramagnetic and antiferromagnetic phases. Our experimental results show the presence of unidirectional band splitting of unknown nature in both phases. In addition, we observed a complex reconstruction of the band structure in the antiferromagnetic phase. Furthermore, some aspects of this reconstruction are consistent with effects of additional periodicity introduced by the magnetic ordering vector, while the nature of several other features remains unknown.

Angle-resolved photoemission spectroscopy↗
DOE OSTI2021

Receiving flat bands near the Fermi level in 1T-VSe2 by using angle resolved photoemission spectroscopy

Here, we study the surface electronic structure of 1T-VSe 2 by means of angle resolved photoemission spectroscopy and uncover a dispersion-less emission located in the vicinity of the Fermi level. Its crystal momentum dependency reveals that it occupies large portions of the Brillouin zone (BZ), where no bulk band is expected. Upon electron doping (deposition of Rb-atoms), the system evolves in a surprising way. Besides the expected down-shifting of the bands, a splitting of both bulk and dispersion-less emission is observed. This peculiar behavior strongly suggests the intrinsic nature of the dispersion-less emission. Its characterization may therefore be relevant to a deeper understanding of the physics of transition metal dichalcogenides.

43 PARTICLE ACCELERATORS↗
DOE OSTI2021

Efimov-like states and quantum funneling effects on synthetic hyperbolic surfaces

Engineering lattice models with tailored inter-site tunnelings and onsite energies could synthesize essentially arbitrary Riemannian surfaces with highly tunable local curvatures. Here, we point out that discrete synthetic Poincaré half-planes and Poincaré disks, which are created by lattices in flat planes, support infinitely degenerate eigenstates for any nonzero eigenenergies. Such Efimov-like states exhibit a discrete scaling symmetry and imply an unprecedented apparatus for studying quantum anomaly using hyperbolic surfaces. Furthermore, all eigenstates are exponentially localized in the hyperbolic coordinates, signifying the first example of quantum funneling effects in Hermitian systems. As such, any initial wave packet travels towards the edge of the Poincaré half-plane or its equivalent on the Poincaré disk, delivering an efficient scheme to harvest light and atoms in two dimensions. Furthermore, our findings unfold the intriguing properties of hyperbolic spaces and suggest that Efimov states may be regarded as a projection from a curved space with an extra dimension.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Complex surface topographic changes from explosive experiments at the Dry Alluvium Geology site, southern Nevada, United States

Understanding the surface topographic change that results from underground explosions is important for global security. Current techniques to relate the surface change to underground explosion characteristics usually involve assuming the earth has homogenous properties, leading to highly variable interpretations. Here we use an unoccupied aerial platform and a digital single lens reflex camera along with 200+ ground control points surveyed with a real-time kinematic global navigation satellite system to measure the surface topographic change resulting from two underground explosions at the Dry Alluvium Geology site in Yucca Flat, Nevada National Security Site, southern Nevada, United States. We find areas of 5–7 cm of subsidence that are not directly above the explosion source but rather 200–300 m away. For experiment DAG2, this zone is located south and west of the explosion, while for DAG4, there is a zone of subsidence located northeast of the explosion. In addition, late-time measurements show as much as 5 cm of horizontal change without measurable associated vertical change in the weeks following DAG4 but not DAG2. These indicate that the deformation resulting from underground chemical explosions can be very complex and bear little to no resemblance to predictions using half-space models. It is likely the tectonic environment plays a significant role in controlling the surface change, but the details are not fully understood.

58 GEOSCIENCES↗
DOE OSTI2024

Intermittent oxidation kinetics and metal/oxide interfacial undulation

The phenomenon of oxygen-adsorption-induced surface restructuring is widespread across various metal-oxygen systems, yet its impact on initiating bulk oxide formation remains largely unexplored. In this study, through in-situ atomic-resolution electron microscopy observations of surface oxidation of Cu(110) and Cu 85 Au 15 (110), we unveil intermittent oxide-film growth modulated by oxygen-induced surface restructuring. This modulation is evidenced by repeated pinning of Cu 2 O growth front at isolated Cu columns of the c(6×2)-O reconstruction, owing to required long-range diffusion of Cu and O atoms to the Cu 2 O growth front. We reveal that Cu vacancies, generated at the Cu 2 O growth front, are injected into the Cu 2 O/Cu interface, inducing hill-and-valley undulation of the Cu 2 O film. In contrast, atomic vacancies produced during the Cu 85 Au 15 (110) oxidation preferentially migrate into interfaces between Au-rich and Au-poor regions in the bulk, resulting in a flat and adherent Cu 2 O film. These findings demonstrate the critical role of oxygen-induced surface restructuring in modulating oxide-film-growth kinetics and manipulability of the fate of injected vacancies by alloying, thereby offering insights applicable to a broader range of metal-oxygen systems for fine-tuning oxidation kinetics and enhancing oxide/metal interfacial adhesion.

25 ENERGY STORAGE↗
DOE OSTI2020

Marcus–Hush–Chidsey kinetics at electrode–electrolyte interfaces

Electrochemical kinetics at electrode–electrolyte interfaces limit the performance of devices including fuel cells and batteries. While the importance of moving beyond Butler–Volmer kinetics and incorporating the effect of electronic density of states of the electrode has been recognized, a unified framework that incorporates these aspects directly into electrochemical performance models is still lacking. In this work, we explicitly account for the density functional theory-calculated density of states numerically in calculating electrochemical reaction rates for a variety of electrode–electrolyte interfaces. We first show the utility of this for two cases related to Li metal electrodeposition and stripping on a Li surface and a Cu surface (anode-free configuration). The deviation in reaction rates is minor for cases with flat densities of states such as Li, but is significant for Cu due to nondispersive d-bands creating large variation. Finally, we consider a semiconducting case of a solid-electrolyte interphase consisting of LiF and Li2CO3 and note the importance of the Fermi level at the interface pinned by the redox reaction occurring there. We identify the asymmetry in reaction rates as a function of discharge/charge naturally within this approach.

Kurchin, Rachel (ORCID:0000000221474809)↗
DOE OSTI2025

Analysis of Warped April Tag Impacts on Detection and Pose Estimation

This report evaluates the impact of geometric deformation on an April Tag, particularly when warped due to attachment on a curved surface, on its detectability and pose estimation performance. A comparative analysis was conducted using a flat April Tag as a control under identical experimental conditions, which involved recording video sequences with varying viewing angles. For detectability, the warped tag exhibited consistent detection failures at viewing angles beyond 40° and complete failures beyond 60°, whereas the flat tag maintained reliable detection across all angles. For pose estimation, measured by pose jitter (variation in rotation and translation), differences between the warped and flat tags were minimal and statistically insignificant, indicating robust performance even for the deformed tag. These findings suggest that while geometric warping reduces an April Tag’s detectability, its pose estimation accuracy remains relatively unaffected under the tested conditions.

42 ENGINEERING↗
DOE OSTI2026

JWST Observations of Starbursts: Dust Processing in the M82 Superwind

We present JWST MIRI and NIRCam imaging of the inner ∼5 kpc of the M82 superwind at ~ $0''_{.}05 - 0''_{.}375$(∼0.9–6.5 pc) resolution. Targeted filters probe emission from polycyclic aromatic hydrocarbons (PAHs; F335M, F360M, F770W, F1130W) and continuum (F250M, F360M) The images reveal a network of cool wind filaments traced by PAHs. PAH surface brightness declines with the inverse square of distance to the midplane, suggesting that the incident radiation field from the starburst drives the observed PAH intensity out to ±2.5 kpc. The 3.3/11.3 and 3.3/7.7 μm band ratios show uniformity with distance from the starburst, though comparisons with mid-IR dust emission models indicate a modest shift toward larger PAHs. Outside the disk, 11.3/7.7 μm increases moderately, reflecting that PAHs become more neutral with distance from the starburst as they are exposed to a declining radiation field and ionization parameter. Overall, PAHs in the wind are consistent with standard-to-large sizes and standard-to-high ionization states. Including Spitzer and Herschel data, PAH abundance (q PAH ) is set at ∼1% in the starburst and remains unchanging out to ±5 kpc off the disk. This flat q PAH profile suggests that PAHs are shielded from the hot wind, perhaps residing in the surface layers of cool clouds, with possible replenishment from cloud interiors and enrichment of the halo from previous bursts. In this picture, clouds are not dense enough to promote PAH growth, and they likely undergo radiative cooling and mixing with the hot phase to survive the gauntlet for at least ∼20 Myr.

Cronin, Serena A. [University of Maryland, College↗
DOE OSTI2021

Iridium thin-film coatings for the BabyIAXO hybrid X-ray optic

Reflective coatings are an essential feature of X-ray telescopes. Their overall performance relies heavily on substrate compatibility and how well they conform to the optics assembly processes. We use X-ray reflectometry (XRR) to demonstrate the compatibility of shaping flat substrates coated with iridium, and show that specular and nonspecular reflectance before and after shaping is on par with traditional hot-slumped coated substrates. From 1.487 and 8.048 k e V measurements, we find that the substrates have rms roughness of 0.38 n m and magnetron sputtered iridium deposits with rms surface roughness of 0.27 − <#comment/> 0.35 n m . A hydrocarbon overlayer from atmospheric contamination is present with a thickness of 1.4 – 1.6 n m and a density of 1.2 − <#comment/> 1.6 g / c m 3 . Both the traditional hot slumped and the flat substrates undergoing post-coating shaping have a similar characteristic surface morphology and are equally well-suited for use with X-ray optics. Finally, we demonstrate by simulation the improved effective area achieved by using a low-Z overlayer, and illustrate the performance of a hybrid optic coated with optimized bilayers for a Primakoff axion spectrum emitted by the sun.

Henriksen, Peter L. (ORCID:0000000259031878)↗
DOE OSTI2022

Hyperbolic string vertices

The string vertices of closed string field theory are subsets of the moduli spaces of punctured Riemann surfaces that satisfy a geometric version of the Batalin-Vilkovisky master equation. We present a homological proof of existence of string vertices and their uniqueness up to canonical transformations. Using hyperbolic metrics on surfaces with geodesic boundaries we give an exact construction of string vertices as sets of surfaces with systole greater than or equal to L with L ≤ 2 arcsinh 1. Intrinsic hyperbolic collars prevent the appearance of short geodesics upon sewing. The surfaces generated by Feynman diagrams are naturally endowed with Thurston metrics: hyperbolic on the vertices and flat on the propagators. For the classical theory the length L is arbitrary and, as L → ∞hyperbolic vertices become the minimal-area vertices of closed string theory

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Cis-Divacant Octahedral Fe(II) in a Dimensionally Reduced Family of 2-(Pyridin-2-yl)pyrrolide Complexes

Four-coordinate transition metal complexes can adopt a diverse array of coordination geometries, with square planar and tetrahedral coordination being the most prevalent. Previously, we reported the synthesis of a trinuclear Fe(II) complex, Fe 3 TPM 2 , supported by a three-fold symmetric 2-pyridylpyrrolide ligand (i.e., tris(5-(pyridin-2-yl)-1H-pyrrol-2-yl)methane), that featured a rare cis-divacant octahedral (CDO) geometry at each Fe(II) center. Here, a series of truncated 2-pyridylpyrrolide ligands is described that support mono- and binuclear Fe(II) complexes that also exhibit CDO geometries. Metallation of tetradentate ligand bis(5-(pyridin-2-yl)-1H-pyrrol-2-yl)methane (H 2 BPM) in THF results in a binuclear complex Fe 2 (BPM) 2 (THF) 2 in which both Fe(II) ions are octahedrally coordinated. The coordinated THF solvent ligands are labile: THF dissociation leads to Fe 2 (BPM) 2 , which features five-coordinate Fe(II) ions. The Fe–Fe distance in these binuclear complexes can be elongated by ligand methylation. Metalation of bis(5-(6-methylpyridin-2-yl)-1H-pyrrol-2-yl)methane (H 2 BPM Me ) in THF leads to the formation of four-coordinate, CDO Fe(II) centers in Fe(BPM Me ) 2 . Further ligand truncation affords bidentate ligands 2-(1H-pyrrol-2-yl)pyridine (PyrPyrrH) and 2-methyl-6-(1H-pyrrol-2-yl)pyridine (Pyr Me PyrrH). Metalation of these ligands in THF affords six-coordinate complexes Fe(PyrPyrr) 2 (THF) 2 and Fe(Pyr Me Pyrr) 2 (THF) 2 . Dissociation of labile solvent ligands provides access to fourcoordinate Fe(II) complexes. Ligand disproportionation at Fe(PyrPyrr) 2 results in the formation of Fe(PyrPyrr) 3 and Fe(0). Ligand methylation suppresses this disproportionation and enables isolation of Fe(Pyr Me Pyrr) 2 , which is rigorously CDO. Complete ligand truncation, by separating the 2-pyridylpyrrolide ligands into the constituent monodentate pyridyl and pyrrolide donors, affords Fe(Pyr) 2 (Pyrr) 2 in which the Fe(II) is tetrahedrally coordinated. Computational analysis indicates that the potential energy surface that dictates the coordination geometry in this family of four-coordinate complexes is fairly flat in the vicinity of CDO coordination. Furthermore, these synthetic studies provide the structural basis to explore the implications of CDO geometry on Fe-catalyzed reactions.

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

Hyporheic Exchange Driven by Submerged Rigid Vegetation: A Modeling Study

Flow-vegetation interaction affects fluid flow hydraulics and associated material transport in river corridors. Concomitant changes in pressure within the flow field due to the presence of vegetation may act as a driver for the formation of hyporheic flow across the sediment-water interface. This potentially important process, however, has yet to be studied. In order to investigate vegetation-induced hyporheic exchange, a series of numerical models of interlinked surface-subsurface flow modified by plant stems was conducted. Periodically staggered plant stem arrays on a flat sediment bed were considered within a coupled multiphysics computational fluid dynamics approach. Plants were idealized as rigid cylinders and arranged in different streamwise and spanwise spacing distances. Each vegetation array was then subjected to a broad range of flow Reynolds Numbers (Re). The results showed that hyporheic flow occurs in all conditions with the presence of vegetation. The vegetation-induced hyporheic flux is found to be a function of Re via a power law. The flux increases with interstem space until the space reaches the distance that rigid stems no longer affect the flow structures in the vicinity of each other. Larger intervegetation distances lead to a larger hyporheic zone. A direct comparison with bedforminduced hyporheic flow showed that vegetation can induce higher hyporheic flux through relatively shallower exchange zones. The results of all the simulations were synthesized into predictive models for hyporheic flux, bulk residence time and exchange depth based on drag coefficient, vegetation density, and Reynolds Number.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Reduced fast-ion transport calculations of m = n = 1 fishbone-like instabilities in MAST-U

Fast-ion transport associated with an m = n = 1 fishbone-like burst in MAST-U discharge 47128 is investigated using a reduced guiding-center-based transport model (ORBIT-Kick) constrained by multi-diagnostic measurements. The two-dimensional beam-emission spectroscopy system provides measurements of the core poloidal mode structure and fluctuation amplitude, while EFIT++ reconstructions constrained by the motional Stark effect diagnostic indicate a flat q-profile with q 0 > 1⁠, indicating the absence of a resonant q = 1 surface and supporting a pressure-driven infernal-mode interpretation. Analytic m = n = 1 displacement profiles consistent with the measured core mode structure and equilibrium constraints are used as the mode structure inputs to ORBIT-Kick. The calculations show that the dominant resonances occur between the mode and co-passing fast ions, producing redistribution localized near the magnetic axis. Synthetic neutron camera signals from TRANSP-Kick recover up to 90% of the experimentally observed neutron deficit at the time of peak mode amplitude, indicating that the measured m = n = 1 mode is a dominant contributor to core fast-ion transport. However, the synthetic neutron signals recover rapidly, whereas the measured neutron emission continues to decrease after the peak amplitude. In conclusion, the remaining discrepancy may arise from contributions not included in the present single-harmonic model, including higher-m and higher-n harmonics, multi-harmonic interactions, and additional transport mechanisms, motivating future diagnostic development and modeling efforts to resolve and incorporate these additional contributions.

Wong, Henry H. [University of California, Los Ange↗
DOE OSTI2025

Geometric Delocalization in Two Dimensions

We demonstrate the existence of transient two-dimensional surfaces where a random-walking particle escapes to infinity in contrast to localization in standard flat two-dimensional space. We first prove that any rotationally symmetric two-dimensional membrane embedded in flat three-dimensional space cannot be transient. Then we formulate a criterion for the transience of a general asymmetric two-dimensional membrane. We use it to explicitly construct a class of transient two-dimensional manifolds with a nontrivial metric and height function but “zero average curvature,” which we dub “tablecloth manifolds.” The absence of the logarithmic infrared divergence of the Laplace-Beltrami operator in turn implies the absence of weak localization, nonexistence of bound states in shallow potentials, and breakdown of the Mermin-Wagner theorem and Kosterlitz-Thouless transition on the tablecloth manifolds, which may be realizable in both quantum simulators and corrugated two-dimensional materials.

Anderson localization↗
DOE OSTI2021

Impact of Lateral Flow on Surface Water and Energy Budgets over the Southern Great Plains – A Modeling Study

As we see the horizontal grid spacing decrease, treatment of hydrologic processes in land surface models, such as the lateral flow of surface and subsurface flow, need to be explicitly represented. Unlike previous studies that mainly focused on the mountainous regions, in this study the offline WRF-Hydro model is employed to study the impact of lateral flow on soil moisture and energy fluxes over the relatively flat southern Great Plains (SGP). The vast amount of measurements over the SGP provide an unique opportunity to assess the model behavior. In addition, newly developed land surface properties and input forcing are ingested into the model, in an attempt to reduce uncertainties associated with the initial and boundary forcing and help to identify model deficiencies. Our results show that the more realistic inputs (parameters, soil types, forcing) lead to larger underestimation of latent heat flux and dry bias, indicating the existence of model structural uncertainty (embedded errors) in WRF-Hydro that need to be characterized to inform future model development efforts. Including lateral flow processes partly mitigates the model deficiencies in representing hydrologic processes and alleviates the dry bias. In particular, both surface and subsurface lateral flow increase soil moisture mainly over the lower elevations, except that subsurface flow also affects soil moisture over steeper terrains. Additional simulations are performed to assess the effect of routing resolution on model results. When LSM resolution is high, noticeable differences in soil moisture are produced between different routing resolutions especially over steep terrain. Whereas when LSM resolution is coarse, differences between routing resolutions become negligible, especially over flat terrain.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Plasma Facing Component Characterization and Correlation With Plasma Conditions in Lithium Tokamak Experiment-β

Lithium coatings in the Lithium Tokamak eXperiment (LTX) led to flat temperature profiles. The flat temperature profiles were observed along with a hot, low density edge, implying a broad, collisionless scrape-off layer (SOL). Additionally, in vacuo X-ray photoelectron spectroscopy (XPS) measurements established that lithium coatings evaporatively deposited onto high-Z plasma facing components (PFCs) became oxidized while retaining the ability to achieve good plasma performance long after lithium was applied to the PFCs. Longstanding theory predicted flat temperature profiles with low recycling walls, which was presumed to be due to hydrogen binding with elemental lithium to form lithium hydride. The presence of oxidized lithium, however, raised questions regarding the exact mechanism of hydrogen retention in LTX. To investigate these questions, the upgraded facility LTX- β includes a new sample exposure probe (SEP) for more detailed in vacuo analysis of PFC samples. The SEP is equipped with a vacuum suitcase capable of transporting samples representative of the LTX- β outer midplane PFCs to a stand-alone XPS system while maintaining pressures lower than the LTX- β base vacuum to limit the contamination between sample exposure and analysis. The low-energy resolution XPS system used in past experiments could only enable the determination of elemental percentages on the PFC sample surfaces. Because the new XPS system has higher energy resolution, it is more direct to assign chemical compounds to the measured binding energies. This capability has been confirmed by comparing XPS data from PFC test samples with measurements using a commercial high-resolution XPS system. Quartz crystal microbalances (QCMs) were used to quantify the thickness of the deposited lithium on the LTX- β PFCs. This article describes the application of the SEP to characterize the PFC surfaces using XPS and their relationship to plasma conditions.

Maan, Anurag↗
DOE OSTI2022

Magnetic cores with high reluctance differences in flux paths

Embodiment of the present invention includes a magnetic structure and a magnetic structure used in a direct current (DC) to DC energy converter. The magnetic structure has an E-core and a plate, with the plate positioned in contact or in near contact with the post surfaces of the E-core. The E-core has a base, a no-winding leg, a transformer leg, and an inductor leg. The no-winding leg, the transformer leg, and the inductor leg are perpendicular and magnetically in contact with the base. The plate is a flat slab with lateral dimensions generally larger than its thickness. The plate has a plate nose that overlaps a top no-winding leg surface of the no-winding leg with a no-winding gap area to form a no-winding gap with a no-winding gap reluctance. The plate also has a plate end that overlaps a top inductor leg surface of the inductor leg with an inductor gap area to form an inductor gap with an inductor gap reluctance. In some embodiments, e.g., where the duty cycle is less than 50 percent, the inductor gap reluctance will be designed to be less than the no-winding gap reluctance. In these cases, the majority of the magnetic flux that passes through the transformer leg will return through the inductor leg, instead of through the no-winding leg. The inductor and no-winding gap reluctances can he adjusted, so that the electromotive force applied to a charge passing through the inductor will partially cancel the electromotive force applied by the transformer secondary. The gap reluctance ratio can be defined, so that the difference in secondary and inductor electromotive forces is equal to the output voltage defined by an optimal no-ripple duty cycle. In this way no changing current is required through the inductor to create a dI/dt inductive voltage drop across the output inductor. Zero output current ripple is achieved.Various embodiments of the plate, plate shape, and no-winding leg are disclosed. These embodiments allow achieving a high ratio of no-winding gap reluctance to inductor gap reluctance, for practical, affordable magnetic material structures and aspect ratios. A high gap reluctance ratio enables zero output current ripple for the high transformer turns ratios that are needed to achieve high input to output voltage ratios. The embodiments therefore allow achieving low output current ripple for 48 V or higher input voltages, 1 V or lower output voltages, and high output currents.

Yao, Yuan↗