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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
NASA NTRS1999

A Three-Dimensional Coupled Internal/External Simulation of a Film-Cooled Turbine Vane

A three-dimensional Navier-Stokes simulation has been performed for a realistic film-cooled turbine vane using the LeRC-HT code. The simulation includes the flow regions inside the coolant plena and film cooling holes in addition to the external flow. The vane is the subject of an upcoming NASA Glenn Research Center experiment and has both circular cross-section and shaped film cooling holes. This complex geometry is modeled using a multi-block grid which accurately discretizes the actual vane geometry including shaped holes. The simulation matches operating conditions for the planned experiment and assumes periodicity in the spanwise direction on the scale of one pitch of the film cooling hole pattern. Two computations were performed for different isothermal wall temperatures, allowing independent determination of heat transfer coefficients and film effectiveness values. The results indicate separate localized regions of high heat transfer coefficient values, while the shaped holes provide a reduction in heat flux through both parameters. Hole exit data indicate rather simple skewed profiles for the round holes, but complex profiles for the shaped holes with mass fluxes skewed strongly toward their leading edges.

Heidmann, James D.↗
DOE OSTI2021

Cuprate superconductors as viewed through a striped lens

Understanding the electron pairing in hole-doped cuprate superconductors has been a challenge, in particular because the “normal” state from which it evolves is unprecedented. Now, after three and a half decades of research, involving a wide range of experimental characterizations, it is possible to delineate a clear and consistent cuprate story. It starts with doping holes into a charge-transfer insulator, resulting in in-gap states. Furthermore, these states exhibit a pseudogap resulting from the competition between antiferromagnetic superexchange J between nearest-neighbor Cu atoms (a real-space interaction) and the kinetic energy of the doped holes, which, in the absence of interactions, would lead to extended Bloch-wave states whose occupancy is characterized in reciprocal space. To develop some degree of coherence on cooling, the spin and charge correlations must self-organize in a cooperative fashion.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Comparison of Polarized Radiative Transfer Codes Used by the EHT Collaboration

Interpretation of resolved polarized images of black holes by the Event Horizon Telescope (EHT) requires predictions of the polarized emission observable by an Earth-based instrument for a particular model of the black hole accretion system. Such predictions are generated by general relativistic radiative transfer (GRRT) codes, which integrate the equations of polarized radiative transfer in curved spacetime. A selection of ray-tracing GRRT codes used within the EHT Collaboration is evaluated for accuracy and consistency in producing a selection of test images, demonstrating that the various methods and implementations of radiative transfer calculations are highly consistent. When imaging an analytic accretion model, we find that all codes produce images similar within a pixel-wise normalized mean squared error (NMSE) of 0.012 in the worst case. When imaging a snapshot from a cell-based magnetohydrodynamic simulation, we find all test images to be similar within NMSEs of 0.02, 0.04, 0.04, and 0.12 in Stokes I , Q , U , and V , respectively. We additionally find the values of several image metrics relevant to published EHT results to be in agreement to much better precision than measurement uncertainties.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Low Catalyst Loading Enhances Charge Accumulation for Photoelectrochemical Water Splitting

Abstract Solar water oxidation is a critical step in artificial photosynthesis. Successful completion of the process requires four holes and releases four protons. It depends on the consecutive accumulation of charges at the active site. While recent research has shown an obvious dependence of the reaction kinetics on the hole concentrations on the surface of heterogeneous (photo)electrodes, little is known about how the catalyst density impacts the reaction rate. Using atomically dispersed Ir catalysts on hematite, we report a study on how the interplay between the catalyst density and the surface hole concentration influences the reaction kinetics. At low photon flux, where surface hole concentrations are low, faster charge transfer was observed on photoelectrodes with low catalyst density compared to high catalyst density; at high photon flux and high applied potentials, where surface hole concentrations are moderate or high, slower surface charge recombination was afforded by low‐density catalysts. The results support that charge transfer between the light absorber and the catalyst is reversible; they reveal the unexpected benefits of low‐density catalyst loading in facilitating forward charge transfer for desired chemical reactions. It is implied that for practical solar water splitting devices, a suitable catalyst loading is important for maximized performance.

Liu, Tianying↗
DOE OSTI2023

Low Catalyst Loading Enhances Charge Accumulation for Photoelectrochemical Water Splitting

Abstract Solar water oxidation is a critical step in artificial photosynthesis. Successful completion of the process requires four holes and releases four protons. It depends on the consecutive accumulation of charges at the active site. While recent research has shown an obvious dependence of the reaction kinetics on the hole concentrations on the surface of heterogeneous (photo)electrodes, little is known about how the catalyst density impacts the reaction rate. Using atomically dispersed Ir catalysts on hematite, we report a study on how the interplay between the catalyst density and the surface hole concentration influences the reaction kinetics. At low photon flux, where surface hole concentrations are low, faster charge transfer was observed on photoelectrodes with low catalyst density compared to high catalyst density; at high photon flux and high applied potentials, where surface hole concentrations are moderate or high, slower surface charge recombination was afforded by low‐density catalysts. The results support that charge transfer between the light absorber and the catalyst is reversible; they reveal the unexpected benefits of low‐density catalyst loading in facilitating forward charge transfer for desired chemical reactions. It is implied that for practical solar water splitting devices, a suitable catalyst loading is important for maximized performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Bremsstrahlung in GRMHD Models of Accreting Black Holes

Here, the role of bremsstrahlung in the emission from hot accretion flows around slowly accreting supermassive black holes is not thoroughly understood. In order to appraise the importance of bremsstrahlung relative to other radiative processes, we compute spectral energy distributions (SEDs) of accretion disks around slowly accreting supermassive black holes including synchrotron radiation, inverse Compton scattering, and bremsstrahlung. We compute SEDs for (i) four axisymmetric radiative general relativistic magnetohydrodynamics (RadGRMHD) simulations of 10 8 M ⊙ black holes with accretion rates between 10 -8 $\dot{M}$ Edd and 10 -5 $\dot{M}$ Edd , (ii) four axisymmetric RadGRMHD simulations of M87* with varying dimensionless spin a$_*$ and black hole mass, and (iii) a 3D GRMHD simulation scaled for Sgr A*. At 10 -8 $\dot{M}$ Edd , most of the luminosity is synchrotron radiation, while at 10 -5 $\dot{M}$ Edd the three radiative processes have similar luminosities. In most models, bremsstrahlung dominates the SED near 512 keV. In the M87* models, bremsstrahlung dominates this part of the SED if a$_*$ = 0.5, but inverse Compton scattering dominates if a$_*$ = 0.9375. Since scattering is more variable than bremsstrahlung, this result suggests that 512 keV variability could be a diagnostic of black hole spin. In the appendix, we compare some bremsstrahlung formulæ found in the literature.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Doped NiO: The mottness of a charge transfer insulator

The evolution of the electronic structures of strongly correlated insulators with doping has long been a central fundamental question in condensed matter physics; it is also of great practical relevance for applications. We have studied the evolution of NiO under hole and electron doping at low doping levels such that the system remains insulating using high-quality thin film and a wide range of experimental and theoretical methods. The evolution is in both cases very smooth with dopant concentration. The band gap is asymmetric under electron and hole doping, consistent with a charge-transfer insulator picture, and is reduced faster under hole doping than under electron doping. For both electron and hole doping, occupied states are introduced at the top of the valence band. The formation of deep donor levels under electron doping and the inability to pin otherwise empty states near the conduction-band edge are indicative that local electron addition and removal energies are dominated by a Mott-like Hubbard U interaction even though the global band gap is predominantly a charge-transfer-type gap.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1994

Thermal continua of AGN accretion disks

We have computed the thermal continuum energy distribution of thermal radiation from the atmospheres of supermassive accretion disks around supermassive black holes. Non-LTE radiative transfer is combined with a model of the vertical structure at each radius appropriate to the low effective gravities of these disks. Locally, the Lyman edge of H can be in emission or absorption. When the emission is summed over the disk with Doppler and gravitational redshifts taken into account, the observed continuum typically shows little sign of a discontinuity near the Lyman edge. For relatively cool disks, the Lyman edge is in absorption, but it appears as a slope change extending over several hundred angstroms, rather than an abrupt discontinuity. Disks around Kerr black holes can explain the observed range of soft X-ray luminosities of AGN, but disks around Schwarzschild holes are much too faint in soft X-rays.

Shields, G. A.↗
DOE OSTI2025

Dynamic Behavior of Bound Interlayer Excitons in Interlayer-Doped Cs 3 Bi 2 Br 9 Vacancy-Ordered Perovskite

Interlayer doping of the vacancy-ordered 2D perovskite Cs 3 Bi 2 Br 9 (CBB) enables the formation of bound interlayer excitons (BIEs), a unique charge-transfer excited state within the layered solid. BIEs previously reported with silver (Ag + ) as an interlayer dopant exhibited bright broadband photoluminescence (PL) with prolonged lifetime at room temperature, offering potential applications in efficient white light emission, photocatalysis, and optoelectronics. However, the dynamic behavior of radiation and excited carriers remains poorly understood due to the limitations of ensemble spectroscopic measurements. Here, we investigate the temperature-dependent dynamics of Ag-doped Cs 3 Bi 2 Br 9 (Ag-CBB) using single-particle time-resolved PL spectroscopy and ultrafast transient absorption imaging. Single-particle PL measurements reveal three distinct emission regimes across temperature: (i) BIE-dominant emission at high temperatures, (ii) a mixture of radiation from BIEs and self-trapped excitons (STEs) at intermediate temperatures, and (iii) STE-dominant emission below 100 K. Rapid transient absorption mapping using Parallel Rapid Imaging with Spectroscopic Mapping (PRISM) reveals subpicosecond STE formation in pristine CBB and long-lived photoinduced absorption by BIEs, consistent with electron–hole separation and suppressed STE transfer. The spatial uniformity of these signals confirms homogeneous Ag doping across single crystals. These findings highlight the role of Ag interlayer dopants in governing the BIE dynamics.

bound interlayer exciton↗
DOE OSTI2023

Synergizing Electron and Heat Flows in Photocatalyst for Direct Conversion of Captured CO 2

Abstract We report a ternary hybrid photocatalyst architecture with tailored interfaces that boost the utilization of solar energy for photochemical CO 2 reduction by synergizing electron and heat flows in the photocatalyst. The photocatalyst comprises cobalt phthalocyanine (CoPc) molecules assembled on multiwalled carbon nanotubes (CNTs) that are decorated with nearly monodispersed cadmium sulfide quantum dots (CdS QDs). The CdS QDs absorb visible light and generate electron‐hole pairs. The CNTs rapidly transfer the photogenerated electrons from CdS to CoPc. The CoPc molecules then selectively reduce CO 2 to CO. The interfacial dynamics and catalytic behavior are clearly revealed by time‐resolved and in situ vibrational spectroscopies. In addition to serving as electron highways, the black body property of the CNT component can create local photothermal heating to activate amine‐captured CO 2 , namely carbamates, for direct photochemical conversion without additional energy input.

Choi, Chungseok↗
DOE OSTI2023

Synergizing Electron and Heat Flows in Photocatalyst for Direct Conversion of Captured CO 2

We report a ternary hybrid photocatalyst architecture with tailored interfaces that boost the utilization of solar energy for photochemical CO 2 reduction by synergizing electron and heat flows in the photocatalyst. The photocatalyst comprises cobalt phthalocyanine (CoPc) molecules assembled on multiwalled carbon nanotubes (CNTs) that are decorated with nearly monodispersed cadmium sulfide quantum dots (CdS QDs). The CdS QDs absorb visible light and generate electron-hole pairs. The CNTs rapidly transfer the photogenerated electrons from CdS to CoPc. The CoPc molecules then selectively reduce CO 2 to CO. Here, the interfacial dynamics and catalytic behavior are clearly revealed by time-resolved and in situ vibrational spectroscopies. In addition to serving as electron highways, the black body property of the CNT component can create local photothermal heating to activate amine-captured CO 2 , namely carbamates, for direct photochemical conversion without additional energy input.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Gate-Tunable Proximity Effects in Graphene on Layered Magnetic Insulators

The extreme versatility of van der Waals materials derives from their ability to exhibit new electronic properties when assembled in proximity with dissimilar crystals. 1 For example, although graphene is inherently non-magnetic, recent work has reported a magnetic proximity effect in graphene interfaced with magnetic substrates, potentially enabling a pathway towards achieving a high-temperature quantum anomalous Hall effect. Here, we investigate heterostructures of graphene and chromium trihalide magnetic insulators (CrI 3 , CrBr 3 , and CrCl 3 ). Surprisingly, we are unable to detect a magnetic exchange field in the graphene, but instead discover proximity effects featuring unprecedented gate-tunability. The graphene becomes highly hole-doped due to charge transfer from the neighboring magnetic insulator, and further exhibits a variety of atypical gate-dependent transport features. The charge transfer can additionally be altered upon switching the magnetic states of the nearest CrI 3 layers. In conclusion, our results provide a roadmap for exploiting proximity effects arising in graphene coupled to magnetic insulators.

2D magnet↗
NASA NTRS1990

Fabrication and chemical composition of RF magnetron sputtered Tl-Ca-Ba-Cu-O high Tc superconducting thin films

The preparation of TlCaBaCuO superconducting thin films on (100) SrTiO3 substrates is described, and the results of their characterization are presented. Sintering and annealing the thin films in a Tl-rich ambient yielded superconductivity with a Tc of 107 K. The results of an XPS study support two possible mechanisms for the creation of holes in the TlCaBaCuO compound: (1) partial substitution of Ca(2+) for Tl(3+), resulting in hole creation, and (2) charge transfer from Tl(3+) to the CuO layers, resulting in a Tl valence between +3 and +1.

Subramanyam, G.↗
NASA NTRS1991

Mechanical properties of 2D and 3D braided textile composites

The purpose of this research was to determine the mechanical properties of 2D and 3D braided textile composite materials. Specifically, those designed for tension or shear loading were tested under static loading to failure to investigate the effects of braiding. The overall goal of the work was to provide a structural designer with an idea of how textile composites perform under typical loading conditions. From test results for unnotched tension, it was determined that the 2D is stronger, stiffer, and has higher elongation to failure than the 3D. It was also found that the polyetherether ketone (PEEK) resin system was stronger, stiffer, and had higher elongation at failure than the resin transfer molding (RTM) epoxy. Open hole tension tests showed that PEEK resin is more notch sensitive than RTM epoxy. Of greater significance, it was found that the 3D is less notch sensitive than the 2D. Unnotched compression tests indicated, as did the tension tests, that the 2D is stronger, stiffer, and has higher elongation at failure than the RTM epoxy. The most encouraging results were from compression after impact. The 3D braided composite showed a compression after impact failure stress equal to 92 percent of the unimpacted specimen. The 2D braided composite failed at about 67 percent of the unimpacted specimen. Higher damage tolerance is observed in textiles over conventional composite materials. This is observed in the results, especially in the 3D braided materials.

Norman, Timothy L.↗
NASA NTRS2002

Black Hole Event Horizons and Advection-Dominated Accretion

The work supported in part by this grant is part of a larger program on the detection of black hole event horizons, which is also partially supported by NASA grant GO0-1105A. This work has been carried out primarily in collaboration with Dr. M. Garcia and Prof. R. Narayan at the Harvard-Smithsonian Center for Astrophysics and with D. Barret and J. Hameury at Centre d'Etude Spoliate des Rayonnements, France. Our purpose is to confirm the existence of black-hole event horizons by comparing accreting black holes to secreting neutron stars in quiescent X-ray novae. Such a comparison is feasible because black holes and neutron stars are both present in similar environments in X-ray novae. Our second purpose is to assess the nature of accretion flows onto black holes at very low mass transfer rates. Observations of some XMM targets are still pending, whereas most of the Chandra observations have been completed. We anticipate further publications on this work in the future.

McClintock, Jeffrey↗
NASA NTRS1997

Adiabatic Effectiveness and Heat Transfer Coefficient on a Film-Cooled Rotating Blade

three-dimensional Navier-Stokes code has been used to compute the adiabatic effectiveness and heat transfer coefficient on a rotating film-cooled turbine blade. The blade chosen is the United Technologies Research Center(UTRC) rotor with five film-cooling rows containing 83 holes, including three rows on the shower head with 49 holes, covering about 86% of the blade span. The mainstream is akin to that under real engine conditions with stagnation temperature 1900 K and stagnation pressure 3 MPa. The blade speed is taken to be 5200 rpm. The adiabatic effectiveness is higher for a rotating blade as compared to that for a stationary blade. Also, the direction of coolant injection from the shower-head holes considerably affects the effectiveness and heat transfer coefficient values on both the pressure and suction surfaces. In all cases the heat transfer coefficient and adiabatic effectiveness are highly three-dimensional in the vicinity of holes but tend to become two-dimensional far downstream.

Garg, Vijay K.↗
DOE OSTI2021

Slow Auger Recombination of Trapped Excitons Enables Efficient Multiple Electron Transfer in CdS–Pt Nanorod Heterostructures

We report solar-to-fuel conversion reaction often requires multiple proton-coupled electron transfer (PCET) processes powered by the energetic electrons and/or holes generated by the absorption of multiple photons. The effective coupling of multiple electron transfer from the light absorber with the multiple PCET reactions at the catalytic center is one of the key challenges in efficient and selective conversion of solar energy to chemical fuels. In this paper, we examine the dynamics of multiple electron transfer in quantum confined CdS nanorods with a Pt tip, in which the CdS rod functions as the light absorber and the Pt tip the catalytic center. By excitation-fluence-dependent transient absorption spectroscopic measurements, we show that the multiexciton Auger recombination rate in CdS rods follows a carrier-collision model, k n A = n 2 (n – 1)/4k 2 A , with a biexciton lifetime (1/k 2 A ) of 2.0 ± 0.2 ns. In CdS–Pt nanorods, electron transfer kinetics from the CdS conduction band edge to the Pt show negligible dependence on the excitation fluence, occurring with a half-life time of 5.6 ± 0.6 ps. The efficiency of multiple exciton dissociation by multiple electron transfer to Pt decreases from 100% in biexciton states to ~41% at 22 exciton state due to the competition with Auger recombination. The half-lifetime of the n-charge separated state recombination (with n electrons in the Pt and n holes in the CdS) decreases from 10 μs in the single charge separated state to 42 ns in nine charge separated states. Our findings suggest the possibility of driving multielectron photocatalytic reactions under intense illumination and controlling product selectivity through multielectron transfer.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗