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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Type-I CdS/ZnS Core/Shell Quantum Dot-Gold Heterostructural Nanocrystals for Enhanced Photocatalytic Hydrogen Generation

Developing Type-I core/shell quantum dots is of great importance toward fabricating stable and sustainable photocatalysts. However, the application of Type-I systems has been limited due to the strongly confined photogenerated charges by the energy barrier originating from the wide-bandgap shell material. In this project, we found that through the decoration of Au satellite-type domains on the surface of Type-I CdS/ZnS core/shell quantum dots, such an energy barrier can be effectively overcome and an over 400-fold enhancement of photocatalytic H(2) evolution rate was achieved compared to bare CdS/ZnS quantum dots. Transient absorption spectroscopic studies indicated that the charges can be effectively extracted and subsequently transferred to surrounding molecular substrates in a subpicosecond time scale in such hybrid nanocrystals. Based on density functional theory calculations, the ultrafast charge separation rates were ascribed to the formation of intermediate Au2S layer at the semiconductor-metal interface, which can successfully offset the energy confinement introduced by the ZnS shell. In conclusion, our findings not only provide insightful understandings on charge carrier dynamics in semiconductor-metal heterostructural materials but also pave the way for the future design of quantum dot-based hybrid photocatalytic systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1989

3D computational analyses for SSME internal flows

Two qualities of the turbulent flow of hot gases in liquid fueled rocket engines that affect the selection and performance of turbulence models used in computational fluid analyses of the flow are curvature of the flow passages and rotation of the flow. Three configurations which represent these conditions and for which experimental data are available are subjected to three dimensional computational analyses using both the standard k - epsilon and a multiple-time-scale turbulence models. It is found that the multiple-time-scale model is better able to predict overall flow features, especially where regions of separated flow are present.

Chen, C. P.↗
NASA NTRS1992

Sensing propagation events and fade statistics at C-band for two over-water, line-of-sight propagation paths over a one year period

We examine signal fading statistics over a year period corresponding to two over-water, line-of-site, propagation links in the mid-Atlantic coast of the US. These links are comprised of a transmitter on a tower at Parramore Island, VA operating at 4.7 GHz sending simultaneous cw signals to two receiver systems located on a lighthouse and a lookout tower on Assateague Beach, VA at distances of 44 and 39 km, respectively. The receiving sites are separated by approximately 5 km. Cumulative fade distributions corresponding to yearly, monthly, and diurnal time scales were derived. Fade duration statistics correspond to sustained attenuation events were also derived. These events, which were arbitrarily defined as having fades relative to free space powers in excess of 20 dB for durations of two hours or more, are believed to be generally due to subrefraction. Analysis of synoptic weather conditions and nearby rawindsonde data during two sustained deep fading periods showed atmospheric conditions consistent with extreme subrefraction, where the refractivity-height profile had a positive lapse rate. The efficacy of employing the links as indicators of real time conditions of atmospheric propagation was also demonstrated by a telephone call-up procedure which enabled displays of time series of the fading at remote locations to be generated.

Goldhirsh, Julius↗
NASA NTRS2023

Reduction in Computational Cost of Progressive Failure Analysis of Composite Structures

Designing aircraft structures requires efficient modeling approaches to iterate on multiple structural configurations to achieve an optimal design. Typically, damage tolerance is not considered at the design stage because of the high computational cost in its implementation within a finite element modeling approach. Therefore, analytical or empirical approaches are often used to size critical damage-tolerant structures once an optimal design is determined. In this study, the Progressive Release eXplicit Virtual Crack-Closure Technique (PRX-VCCT) is assessed for its capability to cost-effectively evaluate skin stringer separation of a blade-stiffened panel that is subjected to seven point bend loads. An initial verification study was performed to evaluate PRX VCCT to accurately simulate skin-stringer separation with respect to existing cohesive element approaches. Furthermore, the influence of element size, ranging from 0.10 in. to 0.40 in., on the total computational time using the PRX-VCCT is investigated. The results indicate that the PRX-VCCT can be used to accurately simulate skin stringer separation using large element lengths (0.40 in.). Additionally, a significant reduction in the computational time to simulate skin stringer separation is observed using the PRX-VCCT. Large-scale progressive damage analysis using PRX-VCCT can be implemented early in the design cycle of composite structures without requiring a global-to-local modeling approach.

Composites↗
NASA NTRS1999

A Numerical Study of Low-Reynolds-Number Separation Bubbles

The present study uses two dimensional numerical simulations to study unsteady low-Reynolds-number separation bubbles. The numerical study is in two parts: (1) a two dimensional time-accurate Navier-Stokes solver is used to simulate flows over the APEX airfoil, and (2) a numerical procedure is developed for localized simulations of transitional separation bubbles. The 2-D computations of flow over the APEX airfoil show that the flow is unsteady with periodic vortex shedding. A linear stability analysis of the separated flow shows that the vortex shedding is caused due to the instability of the separated flow. For transonic flows over the APEX airfoil the vortex shedding is additionally influenced by the presence of shocks. The flowfield has two characteristic time scales, one corresponding to the vortex shedding and another corresponding to the movement of the shocks. The two dimensional (2-D) airfoil simulations also showed the presence of nonlinear effects in the separated region. To better understand the characteristics of separation bubbles a numerical procedure has been developed for localized separation bubble calculations. This procedure is used to perform computations for a flat plate separation bubble test case. The separation bubble is induced by specifying a velocity gradient in the freestream. The growth of disturbances in the separation bubble is analyzed by introducing disturbances upstream of the separation bubble.

Tatineni, Mahidhar↗
NASA NTRS1988

Stratospheric ozone and temperature responses to short-term solar ultraviolet variations - Reproducibility of low-latitude response measurements

Two independent 22-month time intervals of NIMBUS 7 solar backscattered UV (SBUV) ozone and stratospheric and mesospheric sounder (SAMS) temperature measurements for the upper stratosphere at low latitudes are analyzed to calculate mean responses to observed changes in solar ultraviolet spectral irradiance occurring on the time scale of the solar rotation period. Average cross-correlation functions of both SBUV ozone and SAMS temperature versus the solar 205 nm flux are in substantial agreement for these two intervals. Linear regression methods are applied to estimate response amplitudes or sensitivities. The derived sensitivities and phase lags relative to the 205 nm flux are also in approximate agreement for the two separate intervals although the temperature response measurements exhibit larger deviations. These results support the validity of previously reported measurements on the 27-day time scale, and impose firmer constraints on proposed theoretical models for the response of the stratosphere to solar UV forcing on both short and long time scales.

Hood, L. L.↗
NASA NTRS2011

Spatially and Temporally-Resolved Multi-Parameter Interferometric Rayleigh Scattering

A novel approach to simultaneously measure the translational temperature, bulk velocity, and density in gases by collecting, referencing, and analyzing nanosecond time-scale Rayleigh scattered light from molecules is described. A narrow-band pulsed laser source is used to probe two largely separated measurement locations, one of which is used for reference. The elastically scattered photons containing information from both measurement locations are collected at the same time and analyzed spectrally using a planar Fabry - Perot interferometer. A practical means of referencing the measurement of velocity using the laser frequency, and the density and temperature using the information from the reference measurement location maintained at constant properties is described. To demonstrate the technique single-shot spectra of elastic scattered light are obtained in a near zero velocity H2-air Hencken burner flame and simultaneously in an N2-filled gas cell. A simplified Gaussian distribution model to the scattered light spectra is used to obtain the flame properties. Corrections to this model are applied at lower gas temperatures when the simplified Gaussian approximation is no longer suitable. The near-zero measured velocity as a function of the measured flame temperature, and a comparison of the measured flame density and temperature with the perfect gas law are presented.

Bivolaru, Daniel↗
NASA NTRS2015

Spatially-and Temporally-Resolved Multi-Parameter Interferometric Rayleigh Scattering System and Method

A system that simultaneously measures the translational temperature, bulk velocity, and density in gases by collecting, referencing, and analyzing nanosecond time-scale Rayleigh scattered light from molecules is described. A narrow-band pulsed laser source is used to probe two largely separated measurement locations, one of which is used for reference. The elastically scattered photons containing information from both measurement locations are collected at the same time and analyzed spectrally using a planar Fabry-Perot interferometer. A practical means of referencing the measurement of velocity using the laser frequency, and the density and temperature using the information from the reference measurement location maintained at constant properties is provided.

Bivolaru, Daniel↗
DOE OSTI2025

Energy-resolved neutron imaging and diffraction including grain orientation mapping using event camera technology

Time-of-flight neutron diffraction and energy-resolved imaging each provide unique perspectives into material properties. Neutron diffraction is useful for assessing microstructural parameters such as phase composition, texture, and dislocation densities, though it typically provides averaged data over the sampled volume. Energy-resolved imaging, on the other hand, offers both spatial and spectral information by detecting Bragg edges and neutron absorption resonances, which enables detailed mapping of microstructure and isotopic composition. When combined, these techniques have the potential to enrich our understanding of material behavior across different scales, enhancing our understanding of complex materials. Traditionally, these modalities are conducted on separate instruments, which is time-consuming and poses challenges for data integration. Here, we report the integration of the LumaCam, an event-mode energy-resolved neutron imaging camera with the HIPPO time-of-flight diffractometer at LANSCE. This integration enables simultaneous diffraction and imaging across the full spectrum, with analysis optimized for diffraction and Bragg-edge imaging in the thermal range (0.45–10 Å) and resonance imaging in the epithermal range (0.5–3000 eV), facilitating comprehensive multi-modal analysis. We demonstrate its capabilities through case studies, including spatial mapping of grain orientations in a steel sample and accurate thickness estimations for irregular samples including a depleted uranium cylinder and a natural silver-containing mineral specimen. The combined setup enhances real-time sample alignment and provides comprehensive data for crystal structure, texture, and isotopic composition analysis. This approach opens new possibilities for advanced applications in nuclear engineering, archaeology, and materials science.

36 MATERIALS SCIENCE↗
DOE OSTI2021

An Orthogonal Recursive Bisection (ORB) Based Time Advancement Algorithm for CFD-DEM Solvers

The time integration of the granular phase in coupled computational fluid dynamics (CFD) – discrete element method (DEM) simulations presents a unique computational challenge brought about by the large variations in particle collisional time scales. Particles in the dilute regions of the computational domain can be advanced with large time steps while dense regions require much smaller time increments. However, the time step size in most solvers is globally set as the limit for accuracy and stability imposed by the collisions and is typically orders of magnitude less than that required away from collisions. This work addresses this precise issue and provides a strategy to avoid the use of a global conservative small time step size for the entire set of particles.A novel time stepping algorithm for CFD-DEM solvers using a partitioning approach using orthogonal recursive bisection (ORB) that allows for variable time steps among particles is described and its computational performance is compared against baseline explicit methods, typically used in several CFD-DEM solvers. ORB has advantages of being relatively quick and easy to update incrementally and has the required heuristic behavior (i.e., it will split the region in half with a cluster on each side) when groups of particles are well separated (clustered). The algorithm presented in this work uses a local time stepping approach to resolve collisional time scales for subsets of particles that are present at the leaves of the ORB, thereby resulting in substantial reduction of computational cost. The parallel implementation of this method where a ``knapsack” algorithm is used in tandem with ORB for effective load-balancing is also presented, where a best possible partitioning is obtained based on number of particles and local time-stepping costs. The algorithm is tested against benchmark problems with varying particle distributions that include fluidized bed and riser flow scenarios. Preliminary results indicate that the approach is 2-3X faster than traditional explicit methods for problems that involve both dense and dilute regions, while maintaining the same level of accuracy.

adaptive timestepping↗
DOE OSTI2026

Hierarchical-embedding autoencoder with a predictor as efficient architecture for learning time-evolution in multi-scale turbulent flows

We introduce a scale-aware, data-driven deep learning modeling framework for accurately predicting the time evolution of multi-scale turbulent plasma and liquid flows. The approach is motivated by the idea of scale separation. Structures of vastly different length scales emerge in these systems, and interactions between these structures occur only locally. To exploit this structure, the flow state is transformed by a hierarchical, fully convolutional autoencoder, not into a single embedding layer as in conventional convolutional surrogate models, but into a series of embedding layers. A stepwise training strategy ensures that fine-scale features are encoded on a high-resolution grid, while larger structures are represented on progressively coarser layers. The time evolution predictor advances all embedding layers in sync, capturing local interactions between features at the same scale as well as between all scales. This approach enables efficient modeling of multi-scale systems since negligible interactions between distant, small-scale structures do not need to be directly modeled. Our hierarchical-embedding autoencoder with a predictor framework is evaluated on canonical examples of multi-scale turbulence: two-dimensional Kolmogorov flow and Hasegawa–Wakatani plasma turbulence. In both cases, the proposed framework significantly improves predictive accuracy relative to conventional convolutional network architectures. A significant improvement in prediction accuracy was observed for crucial statistical characteristics of the Hasegawa–Wakatani plasma as well as for individual trajectories of the Kolmogorov flow turbulence. Importantly, the model's rollout for the Hasegawa–Wakatani problem demonstrates a four-order-of-magnitude speedup compared to traditional numerical solvers.

Khrabry, Alexander I. [Princeton Univ., NJ (United↗
NASA NTRS1976

Surface-pressure fluctuations associated with aerodynamic noise on the space shuttle launch configuration at transonic and supersonic speeds

A 0.035-scale space shuttle model was recently tested at Ames Research Center to define the fluctuating surface pressures during the launch phase of the full-scale vehicle. A 120-channel data acquisition and reduction system was employed to obtain fluctuating pressure measurements from 240 pressure transducers in two separate data passes. Time histories from all transducers were recorded on four 32-track FM tape recorders. A minicomputer was used to compute and record on-line rms values, the fluctuating pressure coefficient, and full-scale dB levels. The minicomputer also partially controlled the test conditions and fully controlled all data acquisition sequences, thus greatly improving the efficiency of test operations. This paper presents details of the tests and illustrates the fluctuating pressures that will occur on the space shuttle and launch vehicle.

Hanly, R. D.↗
DOE OSTI2026

Hot-Carrier Injection and Millisecond Charge Separation from a Robust Heteroleptic Iron(II) Chromophore Immobilized on TiO 2

The synthesis, spectroscopic characterization, computational analysis, and photoelectrochemical behavior of a new iron-based chromophore, [(Cpy) 2 Fe- (deeb)](PF 6 ) 2 (Fe(Cpy) 2 (deeb)), where Cpy is 1-methyl-3-(2-pyridyl)imidazole and deeb is 4,4’-(CO 2 CH 2 CH 3 ) 2 -2,2’-bipyridine, is reported. Electrochemically reversible waves assigned to a metal-centered E o (Fe III/II ) = +0.48 and a ligand-centered E o (Fe 2+/+ ) = −1.47 V vs Fc +/0 reduction were evident in cyclic voltammetry measurements. The combination of a strong σ-donor and a π-acceptor lowered the energy of the metal-toligand charge-transfer (MLCT) excited state relative to the metal-centered state. Two MLCT transitions appear in the visible region at 424 and 580 nm. TDDFT calculations revealed that the lower-energy band was well formulated as Fe(II)→deeb, and the higher-energy transition was charge transfer to both the deeb and Cpy ligands. Resonance Raman spectroscopy supports these findings showing enhanced deeb vibrational modes with 532 nm excitation, both deeb and Cpy modes with 473 nm excitation, and exclusively Cpy with 405 nm excitation. Ultrafast spectroscopy reveals a short-lived (∼2 ps) MLCT excited state and a longer-lived (∼20 ps) metal-centered state. Efficient methods to deprotect the ester groups and anchor the complex to mesoporous TiO 2 (anatase) thin films in high surface coverages, Fe(Cpy) 2 (dcb)|TiO 2 σ = 3 × 10 −8 mol/cm 2 , were established. Pulsed light excitation of Fe(Cpy) 2 (dcb)|TiO 2 resulted in rapid excited state injection (k inj > 10 8 s −1 ) and formation of a charge-separated state, Fe III (Cpy) 2 (dcb)|TiO 2 (e), which persists on the millisecond time scale before returning cleanly to the ground state with secondorder kinetics. Injection yields measured 50 ns after light excitation were found to double from Φ = 0.15 with green (532 nm) light to 0.30 with blue (457 nm) light excitation. Incident photon-to-current efficiency (% IPCE) measurements as a function of excitation wavelength in a 0.5 M LiI/I 2 /CH 3 CN electrolyte provide clear evidence for band-selective “hot carrier” injection from the remote Cpy-localized excited state. Collectively, the spectroscopic and photoelectrochemical data indicate that a semiconductor can intercept hot electrons from iron chromophores even when the excited-state dipole is oriented away from the surface-anchoring ligand.

Charge transfer↗
DOE OSTI2025

Experimental and theoretical evidence of universality in superfluid vortex reconnections

The minimum separation between reconnecting vortices in fluids and superfluids obeys a universal scaling law with respect to time. The prereconnection and the postreconnection prefactors of this scaling law are different, a property related to irreversibility and to energy transfer and dissipation mechanisms. In the present work, we determine the temperature dependence of these prefactors in superfluid helium from experiments and a numeric model which fully accounts for the coupled dynamics of the superfluid vortex lines and the thermal normal fluid component. At all temperatures, we observe a pre- and postreconnection asymmetry similar to that observed in other superfluids and in classical viscous fluids, indicating that vortex reconnections display a universal behavior independent of the small-scale regularizing dynamics. We also numerically show that each vortex reconnection event represents a sudden injection of energy in the normal fluid. Finally we argue that in a turbulent flow, these punctuated energy injections can sustain the normal fluid in a perturbed state, provided that the density of superfluid vortices is large enough.

Reconnections↗
NASA NTRS1982

Correlated Birkeland current signatures from the TRIAD and Magsat magnetic field data

Transverse magnetic disturbances associated with Birkeland currents have been measured by the Magsat and TRIAD spacecraft, whose orbits were nearly coplanar from November to mid-December, 1979. A comparison of data received when the satellites were over the TRIAD/Chatanika receiving station shows that 75% of magnetic disturbance measurements are similar in shape and magnitude, with TRIAD peak disturbances being on average 7% larger than those of Magsat. This discrepancy is lower than measurement uncertainties due to baselines and calibration. During periods of higher Kp, despite time separations of as much as 45 min, better agreement is found in the large-scale and well-defined field-aligned current signatures.

Zanetti, L. J.↗
DOE OSTI2021

First detection of VHE gamma-ray emission from TXS 1515–273, study of its X-ray variability and spectral energy distribution

ABSTRACT We report here on the first multiwavelength (MWL) campaign on the blazar TXS 1515–273, undertaken in 2019 and extending from radio to very-high-energy gamma-rays (VHE). Up until now, this blazar had not been the subject of any detailed MWL observations. It has a rather hard photon index at GeV energies and was considered a candidate extreme high-synchrotron-peaked source. MAGIC observations resulted in the first-time detection of the source in VHE with a statistical significance of 7.6σ. The average integral VHE flux of the source is 6 ± 1 per cent of the Crab nebula flux above 400 GeV. X-ray coverage was provided by Swift-XRT, XMM–Newton, and NuSTAR. The long continuous X-ray observations were separated by ∼9 h, both showing clear hour scale flares. In the XMM–Newton data, both the rise and decay time-scales are longer in the soft X-ray than in the hard X-ray band, indicating the presence of a particle cooling regime. The X-ray variability time-scales were used to constrain the size of the emission region and the strength of the magnetic field. The data allowed us to determine the synchrotron peak frequency and classify the source as a flaring high, but not extreme synchrotron-peaked object. Considering the constraints and variability patterns from the X-ray data, we model the broad-band spectral energy distribution. We applied a simple one-zone model, which could not reproduce the radio emission and the shape of the optical emission, and a two-component leptonic model with two interacting components, enabling us to reproduce the emission from radio to VHE band.

Acciari, V. A.↗
DOE OSTI2023

Synchronizing the consistency relation

We study the N-point function of the density contrast to quadratic order in the squeezed limit during the matter-dominated (MD) and radiation-dominated (RD) eras in synchronous gauge. Since synchronous gauge follows the free-fall frame of observers, the equivalence principle dictates that in the gradient approximation for the long-wavelength mode there is only a single, manifestly time-independent consistency relation for the N-point function. This simple form is dictated by the initial mapping between synchronous and local coordinates, unlike Newtonian gauge and its correspondingly separate dilation and Newtonian consistency relations. Dynamical effects only appear at quadratic order in the squeezed limit and are again characterized by a change in the local background, also known as the separate universe approach. We show that for the 3-point function the compatibility between these squeezed-limit relations and second-order perturbation theory requires both the initial and dynamical contributions to match, as they do in single-field inflation. This clarifies the role of evolution or late-time projection effects in establishing the consistency relation for observable bispectra, which is especially important for radiation acoustic oscillations and for establishing consistency below the matter-radiation equality scale in the MD era. Defining an appropriate angle and time average of these oscillations is also important for making separate universe predictions of spatially varying local observables during the RD era, which can be useful for a wider range of cosmological predictions beyond N-point functions.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Cross-Linker Selection Controls Glass Transition Elevation or Reduction in Dynamic Covalently Bonded Polymer Networks

Introducing cross-links is a powerful approach to improve polymeric material performance relevant to controlling viscoelasticity, thermal and creep resistance, degradability, and efficient membrane separations. The chemically specific glass transition temperature T g is of fundamental importance in determining the time scales of key dynamical processes and physical state of the material in such applications. Here, we study experimentally how the introduction of relatively large cross-linking molecules in slowly exchanging dynamic bond-forming polymers (vitrimers) impacts vitrification for diverse polymer chemistries and a wide range of cross-link fractions. We find T g can increase, decrease, or even remain essentially unchanged, in qualitative contrast to the generic elevation of T g in traditional permanent polymer networks. We formulate an effective terpolymer network model to understand this rich behavior, which emerges as a consequence of a competition between pure cross-linking and generalized plasticization effects. The latter is associated with the tunable cross-linker size and intrinsic dynamic mobility that can offset slowing down due to traditional permanent cross-linking constraints. Here, a new strategy for functional polymer network design is suggested based on adjusting the relative importance of the two competing physical effects, which potentially can significantly enhance energy savings in applications while retaining other intrinsic properties germane to advanced materials performance.

Copolymers↗