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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Excited quantum anomalous and spin Hall effect: dissociation of flat-bands-enabled excitonic insulator state

Quantum anomalous Hall effect (QAHE) and quantum spin Hall effect (QSHE) are two interesting physical manifestations of 2D materials that have an intrinsic nontrivial band topology. In principle, they are ground-state equilibrium properties characterized by Fermi level lying in a topological gap, below which all the occupied bands are summed to a non-zero topological invariant. In this work, we propose theoretical concepts and models of ‘excited’ QAHE (EQAHE) and EQSHE generated by dissociation of an excitonic insulator (EI) state with complete population inversion (CPI), a unique many-body ground state enabled by two yin-yang flat bands (FBs) of opposite chirality hosted in a diatomic Kagome lattice. The two FBs have a trivial gap in between, i.e. the system is a trivial insulator in the single-particle ground-state, but nontrivial gaps above and below, so that upon photoexcitation the quasi-Fermi levels of both electrons and holes will lie in a nontrivial gap achieved by the CPI-EI state, as demonstrated by exact diagonalization calculations. Then dissociation of singlet and triplet EI state will lead to EQAHE and EQSHE, respectively. Realizations of yin-yang FBs in real materials are also discussed.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2025

An infrared on-shell action and its implications for soft charge fluctuations in asymptotically flat spacetimes

We study the infrared on-shell action of Einstein gravity in asymptotically flat spacetimes (AFSs), obtaining an effective, gauge-invariant boundary action for memory and shockwave spacetimes. We show that the phase space is in both cases parameterized by the leading soft variables in AFSs, thereby extending the equivalence between shockwave and soft commutators to spacetimes with non-vanishing Bondi mass. We then demonstrate that our on-shell action is equal to three quantities studied separately in the literature: (i) the soft supertranslation charge; (ii) the shockwave effective action, or equivalently the modular Hamiltonian; and (iii) the soft effective action. Finally, we compute the quantum fluctuations in the soft supertranslation charge and, assuming the supertranslation parameter may be promoted to an operator, we obtain an area law, consistent with earlier results showing that the modular Hamiltonian has such fluctuations.

asymptotically flat spacetimes↗
DOE OSTI2026

Flat-band driven Kondo breakdown and reentrant effects in heavy-fermion moiré superlattices

Moiré superlattices (MSLs) in van der Waals heterostructures have demonstrated their incredible power in driving emergent electronic phenomena, some of which are reminiscent of those usually only observed in bulk strongly correlated quantum materials. With the recent discovery of van der Waals 𝑓-electron materials, the design of novel MSLs of intrinsic strong correlation is now within the reach. Here we study the novel electron phases of two-dimensional heavy-fermion MSL with increasingly diluted 𝑓-electron local moments. By applying dynamical mean-field theory with numerical renormalization group as an impurity solver, we demonstrate the appearance of a different energy scale and a reentrant Kondo breakdown in connection with the emergence of a flat band in the system. We further compare our numerical findings with predictions derived from the Lieb-Mattis theorem and show the necessity of this energy scale to consistently reconcile the predictions with the conventional single-impurity limit for exceedingly large unit cells.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Observation of multiple flat bands and Van Hove singularities in the distorted kagome metal NdTi 3 Bi 4

Kagome materials have attracted enormous research interest recently owing to their diverse topological phases and manifestation of electronic correlation. Here, in this study, we present the electronic structure of a distorted ferromagnetic kagome metal, NdTi 3 ⁢Bi 4 , exhibiting a transition temperature of 9 K. Our investigation employs a combination of angle-resolved photoemission spectroscopy (ARPES) measurements and density functional theory (DFT) calculations. We discover the presence of two “flat” bands which are found to originate from the kagome structure formed by Ti atoms with a major contribution from Ti 𝑑 𝑥⁢𝑦 and Ti 𝑑 𝑥 2 −𝑦 2 orbitals. We also observed multiple Van Hove singularities (VHSs) in its electronic structure, with one VHS lying near the Fermi level. The ARPES data reveal the existence of Dirac cone at the $\overline{𝐾}$ point, a finding which is corroborated by our DFT calculations. These findings present a detailed electronic structure capable of hosting correlation-driven phenomenon in this novel ferromagnetic kagome metal.

Fermi surface↗
DOE OSTI2025

Symmetry breaking forms split-off flat bands in quantum oxides controlling metal versus insulator phases

The crystal structure used as input to electronic structure calculation of conventionally bonded solids consists primarily of the standard crystallographic degrees of freedom. Quantum solids sometimes have additional microscopic degrees of freedom (m-DOF) nested within the crystallographic structure. These might include local motifs including positional (Peierls dimers, deformed octahedra, Jahn-Teller distortions), magnetic (local moment configurations) and dipolar (local ferroelectric configurations). Such motifs can be observed experimentally via local probes that avoid averaging, and theoretically as distinct total energy lowering features relative to more simplified “average crystallographic structures”. Here we examine the ability of electronic structure methods independent of strong correlation physics to explain the broad phenomenology of metal-insulator selectivity in quantum oxides by energy-lowering symmetry breaking. We do this by avoiding the restriction of considering only (i) electron-electron interactions in a fixed unresponsive lattice—as done in Mott strong correlation explanations—allowing, however, (ii) local positional and magnetic motifs that coexist within a crystallographic landscape. We find in a broad range of quantum oxides with different symmetry breaking modes the formation of split-off flat bands that can also control metallic versus insulating characteristics. The split-off band effect is common to magnetic and non-magnetic materials, including both binary and ternary oxides. One finds that when such local symmetry breaking motifs are considered in mean-field-like (e.g. density functional theory) electronic structure calculations of quantum oxides, they explain many of the observed trends in metal vs insulator phases discussed otherwise in prior literature via strong correlation in symmetry unbroken view.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Quantum Geometric Oscillations in Two-Dimensional Flat-Band Solids

Two-dimensional van der Waals heterostructures can be engineered into artificial superlattices that host flat bands with significant Berry curvature and provide a favorable environment for the emergence of novel electron dynamics. In particular, the Berry curvature can induce an oscillating trajectory of an electron wave packet transverse to an applied static electric field. Though analogous to Bloch oscillations, this novel oscillatory behavior is driven entirely by quantum geometry in momentum space instead of band dispersion. While the current from Bloch oscillations can be localized by increasing field strength, the current from the geometric orbits saturates to a nonzero plateau in the strong-field limit. Finally, in nonmagnetic materials, the geometric oscillations are even under inversion of the applied field, whereas the Bloch oscillations are odd, a property that can be used to distinguish these two coexisting effects.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Flat nonlinear optics with intersubband polaritonic metasurfaces

Nonlinear intersubband polaritonic metasurfaces produce some of the strongest second- and third-order nonlinear optical responses reported for condensed matter systems at infrared frequencies. These metasurfaces are fabricated as two-dimensional arrays of nanoresonators from multi-quantum-well semiconductor heterostructures, designed to produce strong nonlinear responses associated with intersubband transitions. By optimally coupling the optical modes of the nanoresonators to vertically polarized intersubband transitions in semiconductor heterostructures, one can boost the nonlinear response associated with intersubband transitions, make intersubband transitions interact with free-space radiation at normal incidence, and hence produce optically thin flat nonlinear optical elements compatible with free-space optical setups. As a result of the strong nonlinear response in these systems, significant nonlinear conversion efficiencies (>0.1 %) can be attained in deeply subwavelength optical films using modest pumping intensities of only 10–100 kW/cm 2 . Subwavelength metasurface thickness relaxes phase-matching constraints limiting the operation of bulk nonlinear crystals. Furthermore, the amplitude and phase of the nonlinear optical response in intersubband polaritonic metasurfaces can be tailored for a specific pump wavelength and a nonlinear process of interest through the co-optimization of quantum engineering of electron states in semiconductor heterostructures and photonic engineering of the metasurface nanoresonators design. Additionally, an applied voltage can dynamically control the amplitude and phase of the nonlinear optical response at a nanoresonator level. Here, we review the current state of the art in this rapidly expanding field, focusing on nonlinear processes supporting second-harmonic generation, saturable absorption, and optical power limiting.

flat optics↗
DOE OSTI2021

Imaging the Shallow Structure of the Yucca Flat at the Source Physics Experiment Phase II Site with Horizontal-to-Vertical Spectral Ratio Inversion and a Large- N Seismic Array

The Source Physics Experiment (SPE) is a series of chemical explosions at the Nevada National Security Site (NNSS) with the goal of understanding seismic-wave generation and propagation of underground explosions. To understand explosion source physics, accurate geophysical models of the SPE site are needed. Here, we utilize a large-N seismic array deployed at the SPE phase II site to generate a shallow subsurface model of shear-wave velocity. The deployment consists of 500 geophones and covers an area of, approximately, 2.5 × 2 km. The array is located in the Yucca Flat in the northeast corner of the NNSS, Nye County, Nevada. Using ambient-noise recordings throughout the large-N seismic array, we calculate horizontal-to-vertical spectral ratios (HVSRs) across the array. We obtain 2D seismic images of shear-wave velocities across the SPE phase II site for the shallow structure of the basin. In this work the results clearly image two significant seismic impedance interfaces at ~150–500 and ~350–600 m depth. The shallower interface relates to the contrast between Quaternary alluvium and Tertiary volcanic rocks. The deeper interface relates to the contrast between Tertiary volcanic rocks and the Paleozoic bedrock. The 2D subsurface models support and extend previous understanding of the structure of the SPE phase II site. This study shows that the HVSR method in conjunction with a large-N seismic array is a quick and effective method for investigating shallow structures.

58 GEOSCIENCES↗
DOE OSTI2023

MODFLOW6 models used to evaluate potential stresses and hydrologic conditions driving water-level fluctuations in well ER-5-3-2, Frenchman Flat, Southern Nevada

The hydrograph for well ER-5-3-2 in Frenchman Flat, southern Nevada, has previously unexplained water-level fluctuations. Four, three-dimensional, groundwater models (MODFLOW 6) were developed to evaluate potential stresses and hydrologic conditions affecting the well ER-5-3-2 hydrograph. Four model scenarios were developed that simulated: (1) wellbore leakage without recharge, (2) wellbore leakage with recharge, (3) shallow (low transmissivity) and deep (high transmissivity) carbonate rocks, and (4) lateral heterogeneity of carbonate rocks. Input and output files for the four model scenarios are in the model and output directories, respectively. Hydraulic conductivity, specific storage, and wellbore-leakage rates (when simulated) were estimated with parameter estimation (PEST) by minimizing a weighted composite, sum-of-squares objective function. The objective function was informed by measurement and Tikhonov regularization observations. Measurement observations included drawdowns from the constant-rate aquifer test and water-level altitudes measured in well ER-5-3-2 from 2001-2021. Tikhonov regularization informed hydraulic conductivity and specific storage parameters that were insensitive to measurement observations, where homogeneity was the preferred relation. Batch files, executables, and MODFLOW 6, PEST, and post-processing utilities are in the ancillary directory. Supplementary data also are included in the ancillary directory, including site information, high-frequency water-level and aquifer-test data, transmissivity estimates, water-chemistry data, and water-temperature analyses. This USGS data release contains data, analyses, and model files for the simulations and analysis results described in U.S. Geological Survey Scientific Investigations Report (https://doi.org/10.3133/sir20225132).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Innovative Symmetrical Electrolyte Architecture Enables Ultra-Flat and Thermal Resilient Protonic Ceramic Electrochemical Cells

Protonic ceramic electrochemical cells (PCECs) represent a promising class of solid‐state energy conversion devices capable of high‐efficiency hydrogen production and power generation. However, the practical deployment of planar PCECs is fundamentally constrained by severe structural deformation and mechanical failure during fabrication, stemming from asymmetric shrinkage between the thin electrolyte and the thick NiO‐based support layer. Here, in this work, a functionally integrated, symmetry‐engineered double‐sided electrolyte (DE) design is unveiled, which not only suppresses thermally induced curvature but also unlocks significant gains in electrochemical performance and stability. This architecture intrinsically balances shrinkage dynamics across the cell bilaterally, enabling the fabrication of ultra‐flat 5 × 5 cm 2 cells with sub‐100 µm thickness variation. A numerical solid mechanics simulation is introduced to investigate and interpret this achievement. Beyond structural advantages, the DE configuration enhances the cell operational stability, delivering a low open‐circuit voltage degradation of 9.5 mV/100 h across 80 thermal cycles. This work establishes a compelling paradigm wherein architectural symmetry directly translates to both mechanical fidelity and functional enhancement, offering a promising route toward PCECs scale‐up.

08 - HYDROGEN↗
DOE OSTI2024

Singular Hall Response from a Correlated Ferromagnetic Flat Nodal‐Line Semimetal

Abstract Topological quantum phases are largely understood in weakly correlated systems, which have identified various quantum phenomena, such as the spin Hall effect, protected transport of helical fermions, and topological superconductivity. Robust ferromagnetic order in correlated topological materials particularly attracts attention, as it can provide a versatile platform for novel quantum devices. Here, a singular Hall response arising from a unique band structure of flat topological nodal lines in combination with electron correlation in a van der Waals ferromagnetic semimetal, Fe 3 GaTe 2 , with a high Curie temperature ofT c = 347 K is reported. High anomalous Hall conductivity violating the conventional scaling, resistivity upturn at low temperature, and a large Sommerfeld coefficient are observed in Fe 3 GaTe 2 , which implies heavy fermion features in this ferromagnetic topological material. The scanning tunneling microscopy, circular dichroism in angle‐resolved photoemission spectroscopy, and theoretical calculations support the original electronic features of the material. Thus, low‐dimensional Fe 3 GaTe 2 with electronic correlation, topology, and room‐temperature ferromagnetic order appears to be a promising candidate for robust quantum devices.

Chemistry↗
DOE OSTI2022

Large-Area Periodic Arrays of Atomically Flat Single-Crystal Gold Nanotriangles Formed Directly on Substrate Surfaces

The advancement of nanoenabled wafer-based devices requires the establishment of core competencies related to the deterministic positioning of nanometric building blocks over large areas. Within this realm, plasmonic single-crystal gold nanotriangles represent one of the most attractive nanoscale components but where the formation of addressable arrays at scale has heretofore proven impracticable. In this work, a benchtop process is presented for the formation of large-area periodic arrays of gold nanotriangles. The devised growth pathway sees the formation of an array of defect-laden seeds using lithographic and vapor-phase assembly processes followed by their placement in a growth solution promoting planar growth and threefold symmetric side-faceting. The nanotriangles formed in this high-yield synthesis distinguish themselves in that they are epitaxially aligned with the underlying substrate, grown to thicknesses that are not readily obtainable in colloidal syntheses, and present atomically flat pristine surfaces exhibiting gold atoms with a close-packed structure. As such, they express crisp and unambiguous plasmonic modes and form photoactive surfaces with highly tunable and readily modeled plasmon resonances. The devised methods, hence, advance the integration of single-crystal gold nanotriangles into device platforms and provide an overall fabrication strategy that is adaptable to other nanomaterials.

42 ENGINEERING↗
DOE OSTI2020

Islands in asymptotically flat 2D gravity

The large-$\textit{N}$ limit of asymptotically flat two-dimensional dilaton gravity coupled to $\textit{N}$ free matter fields provides a useful toy model for semiclassical black holes and the information paradox. Analyses of the asymptotic information flux as given by the entanglement entropy show that it follows the Hawking curve, indicating that information is destroyed in these models. Recently, motivated by developments in AdS/CFT, a semiclassical island rule for entropy has been proposed. We define and compute the island rule entropy for black hole formation and evaporation in the large-$\textit{N}$ RST model of dilaton gravity and show that, in contrast, it follows the unitary Page curve. The relation of these two observations, and interesting properties of the dilaton gravity island rule, are discussed.

2D Gravity↗
DOE OSTI2021

Conformal wave expansions for flat space amplitudes

The extended BMS algebra contains a conformal subgroup that acts on the celestial sphere as SO(1, 3). It is of interest to perform mode expansions of free fields in Minkowski spacetime that realize this symmetry in a simple way. In the present work we perform such a mode expansion for massive scalar fields using the unitary principal series representations of SO(1, 3) with a view to developing a holographic approach to gravity in asymptotically flat spacetime. These mode expansions are also of use in studying holography in three-dimensional de Sitter spacetime.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

2-loop scattering on superstring and supermembrane in flat space

We consider the S-matrix of transverse scalar excitations on an infinite D = 10 GS superstring and D = 11 supermembrane in flat target space. We compute the 4-particle scattering amplitude in the 2-loop approximation and demonstrate that, like in the Nambu string case, the D = 10 GS string S-matrix does not contain non-trivial 2d UV divergences (UV pole not accompanied by terms with logarithms of momenta is an artifact of dimensional regularization). This is consistent with underlying integrability of this model which is maintaining by adding appropriate local counterterms. In the supermembrane case there are no 1-loop divergences but we find a genuine 2-loop UV pole. This demonstrates non-finiteness of the world-volume S-matrix of the M2 brane theory.

AdS-CFT Correspondence↗
DOE OSTI2024

Experimental evaluation of thermal-fluids performance of Helium-Cooled Flat Plate (HCFP) divertor

Various helium (He)-cooled solid-tungsten (W) divertor concepts have been proposed for long-pulse magnetic fusion energy reactors. Among these concepts, the He-cooled flat plate divertor (HCFP) modules have the largest plasma-facing surface area of ~0.2 m 2 . Simulations have shown that the most recent version of the design can withstand heat fluxes as great as 8 MW/m 2 . Earlier experimental studies of a single shortened HCFP cooling unit with a slot length of 7.6 cm used air at ambient temperature and pressures below 0.6 MPa. Here, we present initial experimental studies of a copper alloy and steel test section modeling a shortened HCFP cooling unit using He at prototypical pressure of 10 MPa, inlet temperatures T i ≤ 200 °C and steady-state incident heat fluxes q" ≤ 1.2 MW/m 2 . Results for Nusselt number Nu as a function of Reynolds number Re were obtained for Re = 1.2×10 4 –3.4×10 4 , and used to develop a Nu(Re) correlation and validate numerical models of the test section using commercial computational fluid dynamics (CFD) software. Simulations with this model are performed to evaluate the effect of the shortened slot. Furthermore, these analyses are used to estimate the thermal-fluids performance of the HCFP under prototypical conditions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Numerical Simulations of High Prandtl Number Liquid Jets Impinging on a Flat Plate

In this work, 3D simulations of oil jets impinging on a flat, heated wall are presented. The numerical setup uses the Volume of Fluid (VoF) method to model the two-phase flow. A careful grid definition across the liquid film, along with the use of the Conjugate Heat Transfer (CHT) approach allowed local heat transfer to be solved with fine resolution at the wall. Variations of liquid flow rate, liquid temperature and surface temperature allow to cover a wide range of local Reynolds and Prandtl numbers (226 < Re < 2850, 77 < Pr < 161). Resulting surface-averaged heat transfer compares very well with experimental measurements conducted in a previous study. In-depth analysis of the flow has identified expected features from the literature. In particular, the impact of jet axial velocity profiles on the heat transfer distribution in the stagnation zone was clearly stated. The increase in heat transfer when warming the liquid film was also reproduced and explained by a decrease in oil viscosity and an increase in film velocity. All those effects were taken into account in correlations for stagnation and local values of Nusselt number. A grid sensitivity study was also conducted, showing that if the grid solving the thermal boundary layer in the stagnation zone can be coarsened without impacting local and surface-averaged predictions of heat transfer, a minimum resolution (2 to 3 cells) within the thermal boundary layer is however required for an accurate prediction of heat transfer.

conjugate heat transfer↗
DOE OSTI2026

Hygrothermal aging effects on polyimide and acrylate-based adhesive materials in high-performance flat-flex cable assemblies

Flat-flex assemblies are widely used across a diverse range of technologies, including consumer electronics, automotive systems, aerospace and defense applications, and medical devices, due to their compact form factor and flexibility. However, environmental stressors like temperature and humidity are known to degrade performance over time, though the main mechanisms for degradation remain unknown. Here, in this work, we examined the aging behavior of copper/polyimide/adhesive laminate systems under varying temperature and humidity conditions, focusing on material degradation and its effects on mechanical and dielectric properties. Results show that peel strength and breakdown voltage decrease with exposure time, temperature, and humidity; spectroscopic characterization revealed that the adhesive, and not the polyimide, is the weak link in the material stack-up. The adhesive, identified as a butyl acrylate-acrylonitrile (BA-AN) copolymer, exhibited age-related spectral changes that correlated with exposure severity and duration. Hydrolysis at BA ester and AN nitrile groups was identified as the primary degradation mechanism, producing amides, acids, and alcohols. We developed a mechanistic model that connects kinetic parameters for BA-AN spectral band decay to peel strength and breakdown voltage, and implicates hydrolysis at the AN moiety, not BA, in performance decrements. Modeling predictions at ambient conditions indicate faster decline in peel strength than dielectric strength at early times, followed by plateauing of both properties at longer times. These findings provide critical insights into laminate aging mechanisms and highlight the importance of addressing BA-AN degradation to improve the long-term reliability of these systems in high-humidity environments.

organic↗