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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 325 records · Page 18

Giant Transport Anisotropy in ReS 2 Revealed via Nanoscale Conducting-Path Control

The low in-plane symmetry in layered 1T'-ReS 2 results in strong band anisotropy, while its manifestation in the electronic properties is challenging to resolve due to the lack of effective approaches for controlling the local current path. In this work, we reveal the giant transport anisotropy in monolayer to four-layer ReS 2 by creating directional conducting paths via nanoscale ferroelectric control. By reversing the polarization of a ferroelectric polymer top layer, we induce conductivity switching ratio of >1.5×10 8 in the ReS 2 channel at 300 K. Characterizing the domain-defined conducting nanowires in an insulating background shows that the conductivity ratio between the directions along and perpendicular to the Re-chain can exceed 5.5×10 4 in monolayer ReS 2 . Theoretical modeling points to the band origin of the transport anomaly, and further reveals the emergence of a flat band in few-layer ReS 2 . Our work paves the path for implementing the highly anisotropic 2D materials for designing novel collective phenomena and electron lensing applications.

2D van der Waals materials↗

Quasilinear dispersion in electronic band structure and high Seebeck coefficient in CuFeS 2 -based thermoelectric materials

The earth-abundant natural mineral chalcopyrite CuFeS 2 is a potential n-type thermoelectric material because of its large Seebeck coefficient at high carrier concentrations. For a long time, the large Seebeck coefficient of CuFeS 2 has been attributed to a large electron effective mass, but the reasons for this and the unusual carrier concentration dependent behavior have rarely been discussed. Here, we systematically investigated the special transport behavior of CuFeS 2 and found the classical parabolic band model to be inadequate in explaining it. Our experimental and theoretical studies indicate that there are two flat electronic pockets at the and Z points of the Brillouin zone near the conduction band edge of CuFeS 2 that dominate the charge transport. These electronic pockets result from nonparabolic quasilinearly dispersing bands that give rise to a linear wave vector dependent energy (E ~ k) and a carrier density dependent effective mass (m* ~ m 0 n 1/3 ). Such a strong carrier concentration dependent carrier effective mass results in the high Seebeck coefficient of CuFeS 2 compound under a large carrier density. Here, the work demonstrates that quasilinearly dispersing bands can give strongly enhanced Seebeck coefficient, and could be useful in optimizing the properties of thermoelectric materials.

36 MATERIALS SCIENCE↗

Performance Evaluation and Optimal Design Analysis of Continuous-Operation Solar-Driven Cooling Absorption Systems With Thermal Energy Storage

A solar absorption cooling system consisting of a flat plate collector, thermal energy storage tank, and absorption chiller is analyzed in this work. A dimensionless model is developed from the energy balance on each component and the chiller's characteristic performance curves. The model is used to determine the interaction and influence of different parameters such as tank size, solar collector area, chiller size, cooling load, cooling temperature, heat loss, and mass flow rates on the performance. From the analysis, smaller solar collector areas are required for lower cooling loads and smaller tank volumes. A specific cooling load of 1 x 10^-5 will require a specific solar collector area between two and six times larger, depending on the initial tank temperature, than the area required for a baseline system that considers typical commercial design and operation parameters. A similar behavior was observed for the specific tank volume. For the baseline system, the minimum specific area of the collector of 9.57 is achieved for an initial tank temperature of 1.19. For a cooling load of 1 x 10^-5, the optimum initial tank temperature will be 1.11 that results in a minimum specific solar collector area of 25.26. A specific tank volume of 4 x 10^-4 will also have an optimum initial tank temperature of 1.11 that minimizes the specific solar collector area to a value of 28.18. The approach and analysis in this work can be used to determine design parameters for solar absorption cooling systems based on a proper relation among system's dimensions to achieve optimum operation.

cooling load↗

On small black holes in string theory

Abstract We discuss the worldsheet sigma-model whose target space is thed+1 dimensional Euclidean Schwarzschild black hole. We argue that in the limit where the Hawking temperature of the black hole,T, approaches the Hagedorn temperature,T H , it can be described in terms of a generalized version of the Horowitz-Polchinski effective theory. Ford≥ 6, where the Horowitz-Polchinski EFT [1, 2] does not have suitable solutions, the modified effective Lagrangian allows one to study the black hole CFT in an expansion in powers ofd− 6 andT H −T. AtT=T H , the sigma model is non-trivial for alld> 6. It exhibits an enhanced SU(2) symmetry, and is described by a non-abelian Thirring model with a radially dependent coupling. The resulting picture connects naturally to the results of [3–5], that relate Schwarzschild black holes in flat spacetime at largedto the two dimensional black hole. We also discuss an analogous open string system, in which the black hole is replaced by a system of two separated D-branes connected by a throat. In this system, the asymptotic separation of the branes plays the role of the inverse temperature. At the critical separation, the system is described by a Kondo-type model, which again exhibits an enhanced SU(2) symmetry. At larged, the brane system gives rise to the hairpin brane [6].

Physics↗

Crystallization Mechanisms of Poly(vinylidene Fluoride- co -chlorotrifluoroethylene): Nucleation Transitions, Growth Kinetics, and Microstructure Evolution

The crystallization kinetics of FK-800, a commercial semicrystalline copolymer of chlorotrifluoroethylene and vinylidene fluoride (poly(CTFE-co-VDF)), dictate its microstructure and functional performance. Crystallization occurs between the glass transition (T g ≈ 31 °C) and melting point (T m ≈ 110 °C), with grain boundaries playing a key role in applications such as memristors, where they regulate filament growth. This study integrates in situ atomic force microscopy (AFM), grazing-incidence wide-angle X-ray scattering (GIWAXS), and differential scanning calorimetry (DSC) to characterize nucleation, growth, and morphology across the full crystallization window. Hot-stage AFM reveals a transition from homogeneous to heterogeneous nucleation near 45 °C and a shift from reaction-limited to diffusion-limited growth above 60 °C. Kinetics are analyzed using Lauritzen–Hoffman, Turnbull–Fisher, and Avrami models to extract surface free energies and activation barriers. A multiscale modeling framework is developed in which nucleation densities and growth rates measured by AFM are used to reconstruct Avrami kinetics, which are then validated against coverage data, and extrapolated to predict bulk crystallization behavior observed by DSC. GIWAXS confirms a primarily flat-on chain orientation at all temperatures, linking orientation to domain morphology. This integrative approach quantitatively connects nanoscale crystallization dynamics with macroscopic phase evolution, establishing a quantitative framework for modeling crystallization across time, temperature, and length scales.

Crystallization↗

Bayesian parameter estimation and evaluation of the K -ω shear stress transport model for plane impinging jets

Numerical simulations with semi-empirical turbulence models are commonly used to model impinging jets, often used for cooling solid surfaces. In this work, the constants in the k-ω shear stress transport model in ANSYS FLUENT are calibrated to experimental velocity and heat transfer data for a plane turbulent impinging air jet to determine if Kennedy-O'Hagan calibration (Kennedy and O'Hagan 2001 J. R. Stat. Soc. B 63 425–64) can improve predictions of near-surface velocities and surface Nusselt numbers for similar flows. Impinging jets have been proposed to cool the target plates of the divertor in future magnetic fusion energy reactors, where simulations are used to estimate divertor performance. The flat-plate divertor (Wang et al 2009 Fusion Sci. Technol .56 1023–7) uses a plane jet of helium issuing from a B = 0.5 mm slot to cool a surface with radius of curvature of 44 B at a distance 4 B from the slot. Predictions from the calibrated numerical model are compared with independent experimental data at different flow conditions, as well as surface temperature data for a flat plate divertor test section. The contribution of this work is evaluation of the accuracy of a calibrated turbulence model for modest extrapolations in flow geometry and flow conditions for a plane impinging jet.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

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↗

Coupling Mesoscale Budget Components to Large-Eddy Simulations for Wind-Energy Applications

To simulate the airflow through a wind farm across a wide range of atmospheric conditions, microscale models (e.g., large-eddy simulation, LES, models) have to be coupled with mesoscale models, because microscale models lack the atmospheric physical processes to represent time-varying local forcing. Here we couple mesoscale model outputs to a LES solver by applying mesoscale momentum- and temperature-budget components from the Weather Research and Forecasting model to the governing equations of the Simulator fOr Wind Farm Applications model. We test whether averaging the budget components affects the LES results with regard to quantities of interest to wind energy. Our study focuses on flat terrain during a quiescent diurnal cycle. The simulation results are compared with observations from a 200-m tall meteorological tower and a wind-profiling radar, by analyzing time series, profiles, rotor-averaged quantities, and spectra. However, while results show that averaging reduces the spatio-temporal variability of the mesoscale momentum-budget components, when coupled with the LES model, the mesoscale bias (in comparison with observations of wind speed and direction, and potential temperature) is not reduced. In contrast, the LES technique can correct for shear and veer. In both cases, however, averaging the budget components shows no significant impact on the mean flow quantities in the microscale and is not necessary when coupling mesocale budget components to the LES model.

17 WIND ENERGY↗

A Perspective on the Successes of the NNSS Underground Test Area (UGTA) Activity - 20221

Between 1951 and 1992, 828 underground nuclear tests were performed at the Nevada National Security Site (NNSS). Underground testing was done in five major testing areas, which included (1) Frenchman Flat, (2) Rainier Mesa/Shoshone Mountain, (3) Yucca Flat/Climax Mine (4) Central Pahute Mesa, and (5) Western Pahute Mesa. About one third of the underground tests were detonated near, at or below the water table, and thus radioactive contamination was introduced to the groundwater system. The U.S. Department of Energy's Underground Test Area (UGTA) Activity was established in the late 1990's to address the fate and movement of residual radioactivity in groundwater, and characterize the risk that it may pose to NNSS workers and the offsite public. It has accomplished this goal through a process of iterative groundwater sampling and numerical groundwater flow and transport modeling, and long-term monitoring. The UGTA Activity draws on the expertise of scientists in the fields of geology, hydrology, radiochemistry, and risk assessment from the U.S. DOE staff, the lead contractor (currently Navarro) and many other organizations, in cooperation with the governing regulatory body, the State of Nevada's Division of Environmental Protection (NDEP). Los Alamos National Laboratory (LANL) is one of the participating research organizations involved with the UGTA Activity. Under the direction of DOE and the lead contractor, LANL's role in UGTA has evolved over time from an initial focus on geologic characterization, to conducting field and laboratory experiments, and finally to its current role of providing modeling and geochemistry expertise to characterize the rates and directions of groundwater and radionuclide movement. In its current role, LANL has either developed or provided the numerical tools for developing flow and transport models in each of the four major testing areas. In addition, LANL has provided an independent assessment of future groundwater flow and transport behavior through the analysis of naturally-occurring geochemical and isotopic tracers in groundwater. The five major testing areas are now in different stages of investigation or closure: (1) Frenchman Flat is in its fifth year of post closure modeling; (2) The Rainier Mesa/Shoshone Mountain Closure Report has been submitted to NDEP and is awaiting approval; (3) The Yucca Flat/Climax Mine Closure Report is under development; and (4) Central and (5) Western Pahute Mesa is still undergoing investigation and flow and transport model development. The success of the UGTA Activity in reaching or approaching closure in three of the five major testing areas is primarily due to the DoE's focus on regulatory closure requirements, but also is in part attributable to a rigorous internal review process and the involvement of NDEP and Nye County water professionals as participants and observers in the reviews. County and state involvement in the internal review process has promoted trust that the U.S. DOE is deeply committed to ensuring the present and future safely of NNSS workers and the surrounding communities. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Charge Disproportionation at Twisted SrTiO 3 Bilayer Interface Driven by Local Atomic Registry

The interplay of lattice, orbital, and charge degrees of freedom in complex oxide materials has hosted a plethora of exotic quantum phases and physical properties. Recent advances in the synthesis of freestanding complex oxide membranes and twisted heterostructures assembled from membranes provide diverse opportunities for discovery using moiré design with local lattice control. To this end, we designed moiré crystals at the coincidence site lattice condition, providing commensurate structure within the moiré supercell arising from the multiatom complex oxide unit cell. We fabricated such twisted bilayers from freestanding SrTiO 3 membranes and used depth-sectioning-based electron microscopic methods to investigate ordered charge states at the moiré interface. By selectively imaging SrTiO 3 atomic planes at different depths through the bilayer, we clearly resolved the moiré periodic structure at the twisted interface and found that it exhibits lattice-dependent charge disproportionation in the local atomic registry within the moiré supercell. Density functional modeling of the twisted oxide interface predicts that these moiré phenomena are accompanied by a two-dimensional flat band that can drive exceptional electronic phases. Our work provides a robust strategy for controlling moiré periodicity in twisted oxides and paves pathways to exploit the extraordinary functionalities via moiré lattice-driven charge-orbital correlation.

charge disproportionation↗

Comparative Pore Structure and Dynamics for Bacterial Microcompartment Shell Protein Assemblies in Sheets or Shells

Bacterial microcompartments (BMCs) are protein-bound organelles found in some bacteria that encapsulate enzymes for enhanced catalytic activity. These compartments spatially sequester enzymes within semipermeable shell proteins, analogous to many membrane-bound organelles. The shell proteins assemble into multimeric tiles; hexamers, trimers, and pentamers, and these tiles self-assemble into larger assemblies with icosahedral symmetry. While icosahedral shells are the predominant form in vivo , the tiles can also form nanoscale cylinders or sheets. The individual multimeric tiles feature central pores that are key to regulating transport across the protein shell. Our primary interest is to quantify pore shape changes in response to alternative component morphologies at the nanoscale. We used molecular modeling tools to develop atomically detailed models for both planar sheets of tiles and curved structures representative of the complete shells found in vivo . Subsequently, these models were animated using classical molecular dynamics simulations. From the resulting trajectories, we analyzed the overall structural stability, water accessibility to individual residues, water residence time, and pore geometry for the hexameric and trimeric protein tiles from the Haliangium ochraceu m model BMC shell. These exhaustive analyses suggest no substantial variation in pore structure or solvent accessibility between the flat and curved shell geometries. We additionally compare our analysis to hydroxyl radical footprinting data to serve as a check against our simulation results, highlighting specific residues where water molecules are bound for a long time. Although with little variation in morphology or water interaction, we propose that the planar and capsular morphology can be used interchangeably when studying permeability through BMC pores.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Microscopic signatures of topology in twisted MoTe 2

In moiré materials with flat electronic bands and suitable quantum geometry, strong correlations can give rise to various topological states of matter. The non-trivial band topology of twisted MoTe 2 , which is responsible for its fractional quantum anomalous Hall states, is predicted to arise from a skyrmion lattice texture in the layer pseudospin of the electronic wavefunctions. Tracing the layer polarization of wavefunctions within the moiré unit cell can, thus, offer insights into the band topology. Here we measure the out-of-plane component of the layer-pseudospin skyrmion textures of twisted MoTe 2 using scanning tunnelling microscopy and spectroscopy. We do this by simultaneously visualizing the moiré lattice structure and the spatial localization of its electronic states. We find that the wavefunctions associated with the topological flat bands exhibit a spatially dependent layer polarization within the moiré unit cell, in agreement with our theoretical modelling. Furthermore, our work enables future local probe studies of the intertwined correlated and topological states arising in gate-tunable devices.

Electronic properties and materials↗

CODEX clusters

Context: Large area catalogs of galaxy clusters constructed from ROSAT All-Sky Survey provide the basis for our knowledge of the population of clusters thanks to long-term multiwavelength efforts to follow up observations of these clusters. Aims: The advent of large area photometric surveys superseding previous, in-depth all-sky data allows us to revisit the construction of X-ray cluster catalogs, extending the study to lower cluster masses and higher redshifts and providing modeling of the selection function. Methods: We performed a wavelet detection of X-ray sources and made extensive simulations of the detection of clusters in the RASS data. We assigned an optical richness to each of the 24 788 detected X-ray sources in the 10 382 square degrees of the Baryon Oscillation Spectroscopic Survey area using red sequence cluster finder redMaPPer version 5.2 run on Sloan Digital Sky Survey photometry. We named this survey COnstrain Dark Energy with X-ray (CODEX) clusters. Results: We show that there is no obvious separation of sources on galaxy clusters and active galactic nuclei (AGN) based on the distribution of systems on their richness. This is a combination of an increasing number of galaxy groups and their selection via the identification of X-ray sources either by chance or by groups hosting an AGN. To clean the sample, we use a cut on the optical richness at the level corresponding to the 10% completeness of the survey and include it in the modeling of the cluster selection function. We present the X-ray catalog extending to a redshift of 0.6. Conclusions: The CODEX suvey is the first large area X-ray selected catalog of northern clusters reaching fluxes of 10 –13 ergs s –1 cm –2 . We provide modeling of the sample selection and discuss the redshift evolution of the high end of the X-ray luminosity function (XLF). Our results on z < 0.3 XLF agree with previous studies, while we provide new constraints on the 0.3 < z < 0.6 XLF. We find a lack of strong redshift evolution of the XLF, provide exact modeling of the effect of low number statistics and AGN contamination, and present the resulting constraints on the flat ΛCDM.

79 ASTRONOMY AND ASTROPHYSICS↗

Topological and nodal superconductor kagome magnesium triboride

Recently the kagome compounds have inspired enormous interest and made some great progress such as in the field of superconductivity and topology. Here we predict a different kagome magnesium triboride (Mg⁢B 3 ) superconductor with a calculated T c ~ 12.2K and T c ~ 15.4 K by external stress, the potentially highest among the reported diverse kagome-type superconductors. We reveal its various exotic physical properties including the van Hove singularity, flat-band, multiple Dirac points, and nontrivial topology. The system can be described by a two-band model with highly anisotropic superconducting gaps on Fermi surfaces. Its topological and nodal superconducting nature is unveiled by a recently developed symmetry indicators method. In conclusion, our results suggest that Mg⁢B 3 can be a new platform to study exotic physics in the kagome structure, and pave a way to seek for more superconductors and topological materials with XY 3 -type kagome lattice.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

The Anatomy of an Unusual Edge-on Protoplanetary Disk. I. Dust Settling in a Cold Disk

As the earliest stage of planet formation, massive, optically thick, and gas-rich protoplanetary disks provide key insights into the physics of star and planet formation. When viewed edge-on, high-resolution images offer a unique opportunity to study both the radial and vertical structures of these disks and relate this to vertical settling, radial drift, grain growth, and changes in the midplane temperatures. In this work, we present multi-epoch Hubble Space Telescope and Keck scattered light images, and an Atacama Large Millimeter/submillimeter Array 1.3 mm continuum map for the remarkably flat edge-on protoplanetary disk SSTC2DJ163131.2–242627, a young solar-type star in ρ Ophiuchus. We model the 0.8 μm and 1.3 mm images in separate Markov Chain Monte Carlo (MCMC) runs to investigate the geometry and dust properties of the disk using the MCFOST radiative transfer code. In scattered light, we are sensitive to the smaller dust grains in the surface layers of the disk, while the submillimeter dust continuum observations probe larger grains closer to the disk midplane. An MCMC run combining both data sets using a covariance-based log-likelihood estimation was marginally successful, implying insufficient complexity in our disk model. The disk is well characterized by a flared disk model with an exponentially tapered outer edge viewed nearly edge-on, though some degree of dust settling is required to reproduce the vertically thin profile and lack of apparent flaring. A colder than expected disk midplane, evidence for dust settling, and residual radial substructures all point to a more complex radial density profile to be probed with future, higher-resolution observations.

47 OTHER INSTRUMENTATION↗

Combined TDLAS and chemiluminescence imaging in a flat flame burner operated with NH3/H2 blends

Ammonia is viewed as a viable hydrogen carrier due to favorable storage and transport characteristics. While it can be re-converted to hydrogen at point-of-use via thermal catalytic cracking, direct utilization in combustion systems can result in reduced costs and improved efficiency. A major barrier to this approach is the low flammability and potential for high nitrogen oxide emissions, driven by fuel-bound nitrogen and complex kinetic pathways. While a number of kinetic mechanisms currently exist for simulating ammonia combustion, a major need continues to be direct information about species profiles in easy-to-model systems capable of isolating chemical kinetics from multi-dimensional fluid dynamic effects. This paper reports on recent species measurements made in a flat flame burner using a combined tunable-diode-laser-absorption-spectroscopy (TDLAS) and chemiluminescence imaging approach. Three flame conditions were included representative of NH3/H2 blends, partially cracked NH3 (inc. N2), and 100% NH3 with enhanced air (30% oxygen). Two NIR distributed feedback (DFB) laser diodes were used to determine H2O concentration and temperature (via ratio thermometry) at various radial and axial positions, after which an inverse Abel transform was used to infer centerline values. Companion images were collected using a Princeton Instrument PI-MAX intensified camera equipped with a 105mm UV lens and multiple filter sets targeting OH*, NH*, and NH2* emission. Results were compared to companion Cantera burner-stabilized flame simulations using various kinetic mechanisms. A recent mechanism including excited species chemistry was also included, to investigate whether excited and ground state profiles exhibit significant differences.

ammonia combustion↗

Reentrant Correlated Insulators in Twisted Bilayer Graphene at 25 T ( 2 π Flux)

Twisted bilayer graphene (TBG) is remarkable for its topological flat bands, which drive strongly interacting physics at integer fillings, and its simple theoretical description facilitated by the Bistritzer-MacDonald Hamiltonian, a continuum model coupling two Dirac fermions. Because of the large moiré unit cell, TBG offers the unprecedented opportunity to observe reentrant Hofstadter phases in laboratory-strength magnetic fields near 25 T. This Letter is devoted to magic angle TBG at 2π flux where the magnetic translation group commutes. Here we use a newly developed gauge-invariant formalism to determine the exact single-particle band structure and topology. We find that the characteristic TBG flat bands reemerge at 2π flux, but, due to the magnetic field breaking C 2z T, they split and acquire Chern number ±1. We show that reentrant correlated insulating states appear at 2π flux driven by the Coulomb interaction at integer fillings, and we predict the characteristic Landau fans from their excitation spectrum.

36 MATERIALS SCIENCE↗

Local atomic stacking and symmetry in twisted graphene trilayers

Moiré superlattices formed from twisting trilayers of graphene are an ideal model for studying electronic correlation, and offer several advantages over bilayer analogues, including more robust and tunable superconductivity and a wide range of twist angles associated with flat band formation. Atomic reconstruction, which strongly impacts the electronic structure of twisted graphene structures, has been suggested to play a major role in the relative versatility of superconductivity in trilayers. Here, we exploit an inteferometric 4D-STEM approach to image a wide range of trilayer graphene structures. Here, our results unveil a considerably different model for moiré lattice relaxation in trilayers than that proposed from previous measurements, informing a thorough understanding of how reconstruction modulates the atomic stacking symmetries crucial for establishing superconductivity and other correlated phases in twisted graphene trilayers.

36 MATERIALS SCIENCE↗