Results for “time Green function” — Page 26

NASA NTRS2003

Empirical Models of the Plasma Density in the Inner Magnetosphere

The radio plasma imager (RPI) on the IMAGE satellite performs radio sounding in the magnetosphere, transmitting coded signals stepping through the frequency range of interest and receiving the returned echoes. The measurements provide the echo amplitude as a function of frequency and echo delay time on a so-called plasmagram. A newly developed algorithm inverts THE echo traces on a plasmagram to electron density spatial distributions. Rased on these observed density distributions, an empirical model is constructed to describe the two-dimensional density distribution in the inner magnetosphere.

Huang, X.↗

DOE OSTI2026

Control of Excitonic Energy Transfer in RGB Quantum Dot:Polymer Composites for Tunable White Emission

Tint-controlled white light is crucial for both illumination systems and display applications. Here, in this study, we demonstrate solution-processed quantum-dot light-emitting diodes (QD-LEDs) featuring a red–green–blue (RGB) QD–poly(methyl methacrylate) (PMMA) composite emissive layer (EML) for tunable white electroluminescence (EL). In this composite EML, PMMA functions as a dispersion matrix that modulates the interdot spacing (d), thereby controlling Förster resonance energy transfer (FRET) between QDs. By adjustment of the PMMA content, the balance of R, G, and B emissions is controlled, enabling systematic and continuous tuning of the EL color from greenish to reddish white at a fixed RGB ratio and constant driving bias. Time-resolved photoluminescence measurements confirm that the variation in the exciton lifetime with the PMMA fraction is the primary factor for tuning the EL color. Notably, nearly pure white EL with CIE coordinates close to (0.33, 0.33) is achieved using a diluted PMMA matrix without significant degradation of the electrical properties. Our results demonstrate d as an independent design parameter for decoupling color tuning from RGB composition and electrical operation, providing a versatile design framework for high-quality white- or tint-controlled QD-LEDs toward advanced solid-state lighting and display technologies.

36 MATERIALS SCIENCE↗

NASA NTRS1983

An integral analysis of transonic normal shock wave/turbulent boundary layer interactions in internal flow

An approximate integral viscous-inviscid interaction method is presented for calculating the development of a turbulent boundary layer subjected to a normal shock wave induced adverse pressure gradient in an internal axisymmetric flow. The inflow conditions and the downstream pressure are provided for the computation. In the supersonic region of shock pressure rise, the Prandtl-Meyer function is used to couple the viscous and inviscid flows. An analytical model for the coupling process is postulated and appropriate equations are defined. Downstream of the sonic point, one-dimensional inviscid flow is assumed for coupling with the viscous flow. The turbulent boundary layer is calculated using Green's integral lag-entrainment method. Comparisons of the solutions with the experimental data are made for interactions which are unseparated, near separation and separated. For comparison purposes, solutions to the time-dependent, mass-averaged, Navier-Stokes equations incorporating a two-equation, Wilcox-Rubesin turbulence model are also shown. The computed results from the integral method show good agreement with experimental data for unseparated interactions and reasonable agreement with the trend of the viscous effects when the interaction becomes increasingly separated.

Om, D.↗

DOE OSTI2015

A systematic benchmark of the ab initio Bethe-Salpeter equation approach for low-lying optical excitations of small organic molecules

The predictive power of the ab initio Bethe-Salpeter equation (BSE) approach, rigorously based on many-body Green’s function theory but incorporating information from density functional theory, has already been demonstrated for the optical gaps and spectra of solid-state systems. Interest in photoactive hybrid organic/inorganic systems has recently increased and so has the use of the BSE for computing neutral excitations of organic molecules. However, no systematic benchmarks of the BSE for neutral electronic excitations of organic molecules exist. Here, we study the performance of the BSE for the 28 small molecules in Thiel’s widely used time-dependent density functional theory benchmark set [Schreiber et al., J. Chem. Phys. 128, 134110 (2008)]. We observe that the BSE produces results that depend critically on the mean-field starting point employed in the perturbative approach. We find that this starting point dependence is mainly introduced through the quasiparticle energies obtained at the intermediate GW step and that with a judicious choice of starting mean-field, singlet excitation energies obtained from BSE are in excellent quantitative agreement with higher-level wavefunction methods. The quality of the triplet excitations is slightly less satisfactory.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

IC Project: The Role of Compressibility in Regulating Magnetic Energy Conversion in Reconnection Processes with Turbulence and Implications for Particle Transport and Energization

Diagnostics for the contribution of different regions in low-energy injection: a) Distribution function for the time duration of E > B particles within E > B regions. The estimated time limits for achieving injection are labeled; b) Distribution of energy gain during injection (for E > B particles) for E > B regions (blue), before E > B crossing (red), and outside E > B regions after the first crossing (black); c) Spectra for self-consistent particles (blue), test-particles that do not see electric fields in E > B regions (red) and test-particles with a resetting energy approach (green).

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRSDate not supplied

A Green’s Function Sensor Fusion Approach for Evaluating Spacecraft Entry Heating From on-Board Thermal Instrumentation

During atmospheric entry, distributed thermal measurements are critical to enable the evaluation of heat loads on spacecraft thermal protection systems (TPS). In recent space exploration missions, Schmidt-Boelter-type heat flux gauges have been integrated into the TPS alongside conventional temperature measurement instrumentation to measure total (convective and radiative) and radiative heat transfer rates1,2. While direct heat flux sensors (HFS) are able to provide valuable information detailing the thermal loads experienced by spacecraft, the interpretation of these measurements in unsteady, convective environments requires a correction factor to account for local heating augmentations at the cold wall HFS surface2,3. Current efforts to estimate cold wall correction factors, and thus recover the hot wall TPS heat flux, rely on time-marching computational fluid dynamics (CFD) simulations2. Simulation-based methods are susceptible to large uncertainties, however, as they require estimations of vehicle trajectory, gas kinetics, wall catalysis models, and other flight conditions as input parameters2,4. Furthermore, CFD simulations are computationally expensive and cannot efficiently survey all possible entry scenarios, exacerbating the uncertainty of reconstructed hot wall heat flux values. These drawbacks motivate the development of alternative hot wall heat flux reconstruction methods that are not reliant on CFD-based correction factors.

Kenneth McAfee↗

NASA NTRSDate not supplied

A Green’s Function Sensor Fusion Approach for Evaluating Spacecraft Entry Heating From on-Board Thermal Instrumentation

During atmospheric entry, distributed thermal measurements are critical to enable the evaluation of heat loads on spacecraft thermal protection systems (TPS). In recent space exploration missions, Schmidt-Boelter-type heat flux gauges have been integrated into the TPS alongside conventional temperature measurement instrumentation to measure total (convective and radiative) and radiative heat transfer rates1,2. While direct heat flux sensors (HFS) are able to provide valuable information detailing the thermal loads experienced by spacecraft, the interpretation of these measurements in unsteady, convective environments requires a correction factor to account for local heating augmentations at the cold wall HFS surface2,3. Current efforts to estimate cold wall correction factors, and thus recover the hot wall TPS heat flux, rely on time-marching computational fluid dynamics (CFD) simulations2. Simulation-based methods are susceptible to large uncertainties, however, as they require estimations of vehicle trajectory, gas kinetics, wall catalysis models, and other flight conditions as input parameters2,4. Furthermore, CFD simulations are computationally expensive and cannot efficiently survey all possible entry scenarios, exacerbating the uncertainty of reconstructed hot wall heat flux values. These drawbacks motivate the development of alternative hot wall heat flux reconstruction methods that are not reliant on CFD-based correction factors.

Kenneth McAfee↗

NASA NTRSDate not supplied

A Green’s Function Sensor Fusion Approach for Evaluating Spacecraft Entry Heating From on-Board Thermal Instrumentation

During atmospheric entry, distributed thermal measurements are critical to enable the evaluation of heat loads on spacecraft thermal protection systems (TPS). In recent space exploration missions, Schmidt-Boelter-type heat flux gauges have been integrated into the TPS alongside conventional temperature measurement instrumentation to measure total (convective and radiative) and radiative heat transfer rates1,2. While direct heat flux sensors (HFS) are able to provide valuable information detailing the thermal loads experienced by spacecraft, the interpretation of these measurements in unsteady, convective environments requires a correction factor to account for local heating augmentations at the cold wall HFS surface2,3. Current efforts to estimate cold wall correction factors, and thus recover the hot wall TPS heat flux, rely on time-marching computational fluid dynamics (CFD) simulations2. Simulation-based methods are susceptible to large uncertainties, however, as they require estimations of vehicle trajectory, gas kinetics, wall catalysis models, and other flight conditions as input parameters2,4. Furthermore, CFD simulations are computationally expensive and cannot efficiently survey all possible entry scenarios, exacerbating the uncertainty of reconstructed hot wall heat flux values. These drawbacks motivate the development of alternative hot wall heat flux reconstruction methods that are not reliant on CFD-based correction factors.

Kenneth McAfee↗

DOE OSTI2021

Chlamydomonas as a model for reactive oxygen species signaling and thiol redox regulation in the green lineage

While the maintenance of redox balance is important for all organisms, the energy balance in the chloroplast is particularly tightly linked to the overall cellular redox status in photosynthetic organisms. Excess light can cause overreduction of the photosynthetic electron transport chain, which, when unchecked, results in the generation of reactive oxygen species (ROS) that can oxidize cellular components including nucleic acids, proteins, and lipids (Li et al., 2009). A photosynthetic cell possesses multiple layers of defense against oxidative stress, such as antioxidant enzymes (Foyer and Noctor, 2005) and alternative electron transfer pathways (Alric and Johnson, 2017). At the same time, ROS can function as important signals that mediate responses to biotic and abiotic stresses (Apel and Hirt, 2004). Reversibly oxidizable small molecules and proteins can serve as ROS sinks and signals and are re-reduced by multiple mechanisms. For example, the ascorbate–glutathione (GSH) cycle is central in controlling ROS levels and regenerating/reducing oxidized cellular redox agents (Figure 1A; reviewed by Foyer and Noctor, 2011). The functions of many proteins can be regulated by the redox state of cysteine residues, such as the formation or reduction of disulfides by thioredoxins (TRX) (Buchanan, 1991) and glutaredoxins (Michelet et al., 2013b; Figure 1, B and C).

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2019

Poly(lactic acid) Toughening through Chain End Engineering

The intrinsic brittleness of poly(lactic acid) (PLA) has hindered its widespread use in many structural applications. Various strategies have been developed to toughen PLA; however, most of the methods lead to a trade-off in strength or modulus. In this study, a chain end engineering strategy was developed to toughen PLA via an industry-friendly melt processing method. Green acids with multifunctional groups, such as 1,2,3,4-butanetetracarboxylic acid (BTCA), were used to modify PLA chain ends/tails via a melt reaction. We report a remarkable improvement in toughness (16×) was achieved by the addition of a minimal amount of BTCA (0.5%). At the same time, the toughened PLA samples maintained the tensile strength and Young’s modulus of neat PLA, suggesting a unique toughening mechanism that is different from the plasticizing effect. Other acid–based modifiers with different numbers of functional groups were also studied in this work. To understand the toughening, we propose a chain end engineering picture that can improve the toughness via a reduction in the number density of chain ends or defects of entanglement and the formation of long-branch topological structures. This study demonstrates a unique and cost-effective strategy for toughening PLA via scalable melt reaction without sacrificing other mechanical properties of PLA, potentially broadening the applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Autonomous Synthesis and Inverse Design of Electrochromic Polymers with High Efficiency and Accuracy

Here, the design and synthesis of functional polymers, aimed at targeted properties through specific structures, have long been challenged by their complex and often nonlinear structure–property relationships. Key processes, including knowledge accumulation for predictive design and experimental refinement and validation, are traditionally labor-insensitive and time-consuming, making it difficult to balance accuracy and efficiency. Here, we introduce an accelerated, autonomous system for the on-demand synthesis of electronic polymers that achieves the desired electrochromic functionality with high accuracy and efficiency. Our approach leverages large language model-assisted data mining, a physics-informed copolymer machine learning model, and an AI-driven autonomous robotic workflow in the Polybot lab. Within 72 h, Polybot autonomously synthesized electrochromic polymers (ECPs) with targeted, previously-unreported color values, including green polymers with specific absorption profiles, precisely fine-tuning copolymer structures with a 5% step size in comonomer composition within a three-monomer system. A publicly accessible ECP informatics database has also been created to foster knowledge exchange.

AI-driven Robotic Lab↗

NASA NTRS2013

Re-Greening Sahel: 30 Years of Remote Sensing Data and Field Observations (Mali, Niger)

Desertification of the Sahel region has been debated for decades, while the concept of a "re-greening" Sahel appeared with satellite remote sensing data that allowed vegetation monitoring across wide regions and over increasingly long series of years (nowadays 30 years with the GIMMS-3g dataset). However, the scarcity of long-term field observations of vegetation in the Sahel prevents ground validation and deeper analysis of such trends. After assessing the consistency of the new GIMMS-3g NDVI product by comparison to three other AVHRR-NDVI datasets and MODIS NDVI, regional GIMMS-3g NDVI trends over 1981-2011 are analyzed. Trends are found positive and statistically significant almost everywhere in Sahel over the 1981-2011 period. Long-term field observations of the aboveground herbaceous layer mass have been collected within the Gourma region in Mali (1984-2011) and within the Fakara region in western Niger (1994-2011). These observations sample ecosystem and soil diversity, thus enabling estimation of averaged values representative of the Gourma and Fakara. NDVI measurements are found in good agreement with field observations, both over the Gourma and Fakara regions where re-greening and negative trends are observed respectively. A linear regression analysis performed between spatially averaged seasonal NDVI and a weighted average of field measurements explains 59% of the variability for the Gourma region over 1984-2011, and 38% for the Fakara region over 1994-2011. In the Gourma, which is a pastoral region, the re-greening trend is mainly observed over sandy soils, and attests for the ecosystem's resilience to the 1980s' drought, able to react to the more favorable rainfall of the 1990s and 2000s. However, contrasted changes in the landscape's functioning have occurred locally. An increase in erosion and run-off processes in association with decreasing or stable vegetation cover was observed over shallow soils, which occupy 30% of the area. In the agro-pastoral Fakara, the decreasing trends observed both from satellite NDVI and field assessments of herbaceous mass are hardly explained by rainfall. These results give confidence in the dominant positive trends in Sahelian greenness, but indicate that degradation trends can also be observed, both in situ and from satellite time series.

Sahel↗

DOE OSTI2014

The MASSIVE survey. I. A volume-limited integral-field spectroscopic study of the most massive early-type galaxies within 108 Mpc

Massive early-type galaxies represent the modern day remnants of the earliest major star formation episodes in the history of the universe. These galaxies are central to our understanding of the evolution of cosmic structure, stellar populations, and supermassive black holes, but the details of their complex formation histories remain uncertain. To address this situation, we have initiated the MASSIVE Survey, a volume-limited, multi-wavelength, integral-field spectroscopic (IFS) and photometric survey of the structure and dynamics of the ∼100 most massive early-type galaxies within a distance of 108 Mpc. This survey probes a stellar mass range M* ≳ 10{sup 11.5} M {sub ☉} and diverse galaxy environments that have not been systematically studied to date. Our wide-field IFS data cover about two effective radii of individual galaxies, and for a subset of them, we are acquiring additional IFS observations on sub-arcsecond scales with adaptive optics. We are also acquiring deep K-band imaging to trace the extended halos of the galaxies and measure accurate total magnitudes. Dynamical orbit modeling of the combined data will allow us to simultaneously determine the stellar, black hole, and dark matter halo masses. The primary goals of the project are to constrain the black hole scaling relations at high masses, investigate systematically the stellar initial mass function and dark matter distribution in massive galaxies, and probe the late-time assembly of ellipticals through stellar population and kinematical gradients. In this paper, we describe the MASSIVE sample selection, discuss the distinct demographics and structural and environmental properties of the selected galaxies, and provide an overview of our basic observational program, science goals and early survey results.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRSDate not supplied

New Capabilities and Improvements to the High-Order Glenn Flux Reconstruction Code

The Glenn Flux Reconstruction (GFR) code is a computational fluid dynamics (CFD) code under development at NASA Glenn Research Center. GFR is based on the high-order flux reconstruction (FR) method and provides a large-eddy simulation (LES) capability that is both accurate and efficient for complex aeropropulsion flows. Three significant new capabilities have been added to the code that improve its performance and functionality. First, a variety of explicit Runge-Kutta methods, including some with adaptive time stepping, were added to GFR with two methods offering a 33% improvement in time-to-solution. Second, GFR can now utilize fully unstructured, mixed-element meshes to more easily facilitate the grid generation process for complex geometries. Finally, a rotating reference frame capability has been added to GFR for solving rotating turbomachinery problems. A selection of results demonstrating these new capabilities are presented in this work. The Taylor-Green vortex problem is used to verify the new unstructured capability by showing similar accuracy and resolution for all element types. LES of the Turbulent Heat Flux Phase III (THX3) experiment with comparison to another high-order LES code and a popular Reynolds-averaged Navier-Stokes (RANS) code demonstrates the accuracy of the code for complex aeropropulsion flows. Finally, LES of a spacecraft cabin ventilation fan shows the ability of GFR to efficiently establish a fan performance map and identify operating points for further analysis at high orders of accuracy.

High-Order Methods↗

NASA NTRSDate not supplied

New Capabilities and Improvements to the High-Order Glenn Flux Reconstruction Code

The Glenn Flux Reconstruction (GFR) code is a computational fluid dynamics (CFD) code under development at NASA Glenn Research Center. GFR is based on the high-order flux reconstruction (FR) method and provides a large-eddy simulation (LES) capability that is both accurate and efficient for complex aeropropulsion flows. Three significant new capabilities have been added to the code that improve its performance and functionality. First, a variety of explicit Runge-Kutta methods, including some with adaptive time stepping, were added to GFR with two methods offering a 33% improvement in time-to-solution. Second, GFR can now utilize fully unstructured, mixed-element meshes to more easily facilitate the grid generation process for complex geometries. Finally, a rotating reference frame capability has been added to GFR for solving rotating turbomachinery problems. A selection of results demonstrating these new capabilities are presented in this work. The Taylor-Green vortex problem is used to verify the new unstructured capability by showing similar accuracy and resolution for all element types. LES of the Turbulent Heat Flux Phase III (THX3) experiment with comparison to another high-order LES code and a popular Reynolds-averaged Navier-Stokes (RANS) code demonstrates the accuracy of the code for complex aeropropulsion flows. Finally, LES of a spacecraft cabin ventilation fan shows the ability of GFR to efficiently establish a fan performance map and identify operating points for further analysis at high orders of accuracy.

Direct Numerical Simulations↗

DOE OSTI2015

Calibration of EBT2 film using a red-channel PDD method in combination with a modified three-channel technique

Purpose: Ashland Inc. EBT2 and EBT3 films are widely used in quality assurance for radiation therapy; however, there remains a relatively high degree of uncertainty [B. Hartmann, M. Martisikova, and O. Jakel, “Homogeneity of Gafchromic EBT2 film,” Med. Phys. 37, 1753–1756 (2010)]. Micke et al. (2011) recently improved the spatial homogeneity using all color channels of a flatbed scanner; however, van Hoof et al. (2012) pointed out that the corrected nonuniformity still requires further investigation for larger fields. To reduce the calibration errors and the uncertainty, the authors propose a new red-channel percentage-depth-dose method in combination with a modified three-channel technique. Methods: For the ease of comparison, the EBT2 film image used in the authors’ previous study (2012) was reanalyzed using different approaches. Photon beams of 6-MV were delivered to two different films at two different beam on times, resulting in the absorption doses of ranging from approximately 30 to 300 cGy at the vertical midline of the film, which was set to be coincident with the central axis of the beam. The film was tightly sandwiched in a 30{sup 3}-cm{sup 3} polystyrene phantom, and the pixel values for red, green, and blue channels were extracted from 234 points on the central axis of the beam and compared with the corresponding depth doses. The film was first calibrated using the multichannel method proposed by Micke et al. (2010), accounting for nonuniformities in the scanner. After eliminating the scanner and dose-independent nonuniformities, the film was recalibrated via the dose-dependent optical density of the red channel and fitted to a power function. This calibration was verified via comparisons of the dose profiles extracted from the films, where three were exposed to a 60° physical wedge field and three were exposed to composite fields, and all of which were measured in a water phantom. A correction for optical attenuation was implemented, and treatment plans of intensity modulated radiation therapy and volumetric modulated arc therapy were evaluated. Results: The method described here demonstrated improved accuracy with reduced uncertainty. The relative error compared with the measurements of a water phantom was less than 1%, and the overall calibration uncertainty was less than 2%. Verification tests revealed that the results were close to those of the authors’ previous study, and all differences were within 3%, except those with a high-dose gradient. The gamma pass rates (2%/2 mm) of the treatment plan evaluated using the method described here were greater than 99%, and no obvious stripe patterns were observed in the dose-difference maps. Conclusions: Spatial homogeneity was significantly improved via the calibration method described here. This technique is both convenient and time-efficient because it does not require cutting the film, and only two exposures are necessary.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2018

Encapsulation of a Cr III Single‐Ion Magnet within an Fe II Spin‐Crossover Supramolecular Host

Abstract Single functional molecules are regarded as future components of nanoscale spintronic devices. Supramolecular coordination chemistry provides unlimited resources to implement multiple functions to individual molecules. A novel coordination [Fe 2 ] helicate exhibiting spin‐crossover is demonstrated to be ideally suited to encapsulate a [Cr(ox) 3 ] 3− complex anion (ox=oxalate), unveiling for the first‐time single ion slow relaxation of the magnetization for this metal. A possibility of tuning the dynamics of this relaxation as well as the performance of the Cr III center as qubit arises from the observation that metastable high spin Fe II centers from the host can be generated by irradiation with green light at low temperature.

Darawsheh, Mohanad↗

DOE OSTI2018

Encapsulation of a Cr III Single‐Ion Magnet within an Fe II Spin‐Crossover Supramolecular Host

Abstract Single functional molecules are regarded as future components of nanoscale spintronic devices. Supramolecular coordination chemistry provides unlimited resources to implement multiple functions to individual molecules. A novel coordination [Fe 2 ] helicate exhibiting spin‐crossover is demonstrated to be ideally suited to encapsulate a [Cr(ox) 3 ] 3− complex anion (ox=oxalate), unveiling for the first‐time single ion slow relaxation of the magnetization for this metal. A possibility of tuning the dynamics of this relaxation as well as the performance of the Cr III center as qubit arises from the observation that metastable high spin Fe II centers from the host can be generated by irradiation with green light at low temperature.

Darawsheh, Mohanad↗