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Results for “transferability”

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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Fast Charge‐Transfer Rates in Li‐CO 2 Batteries with a Coupled Cation‐Electron Transfer Process

Li-CO 2 batteries with a high theoretical energy density (1876 Wh kg −1 ) have unique benefits for reversible carbon fixation for energy storage systems. However, due to lack of stable and highly active catalysts, the long-term operation of Li-CO 2 batteries is limited to low current densities (mainly <0.2 mA cm −2 ) that are far from practical conditions. In this work, it is discovered that, with an ionic liquid-based electrolyte, highly active and stable transition metal trichalcogenide alloy catalysts of Sb 0.67 Bi 1.33 X 3 (X = S, Te) enable operation of the Li-CO 2 battery at a very high current rate of 1 mA cm −2 for up to 220 cycles. It is revealed that: i) the type of chalcogenide (Te vs S) significantly affects the electronic and catalytic properties of the catalysts, ii) a coupled cation-electron charge transfer process facilitates the carbon dioxide reduction reaction (CO 2 RR) occurring during discharge, and iii) the concentration of ionic liquid in the electrolyte controls the number of participating CO 2 molecules in reactions. A combination of these key factors is found to be crucial for a successful operation of the Li-CO 2 chemistry at high current rates. This work introduces a new class of catalysts with potential to fundamentally solve challenges of this type of batteries.

25 ENERGY STORAGE↗
DOE OSTI2022

Photo-Induced Charge Transfer of Fullerene and Non-Fullerene Conjugated Polymer Blends via Ab Initio Excited-State Dynamics

Organic conjugated polymers (CPs) are promising candidates for organic photovoltaic (OPV) devices due to their unique tunable mechanical and optoelectronic performance. Over the last decade, optoelectronic properties of narrow band gap CPs as a blend with acceptor units are largely optimized, which leads to noticeable progress in OPV technology. However, their power conversion efficiency is still lower than their organic counterparts (i.e., silicon), limiting their practical usage. In this study, we employ ab initio molecular dynamics to explore photo-induced charge transfer (CT) of the diketopyrrolopyrrole-based polymer as a blend with non-fullerene (i.e., ITIC) and fullerene (i.e., PCBM) acceptor units. The results of charge carrier dynamics induced by selected photoexcitation show that hole density redistribution in space is much faster than electron relaxation. We track the relaxation rates of charge carriers over time, where the derivative of the difference between the rate of electron and hole implies the current density at zero voltage. Furthermore, this can be utilized to characterize the CT performance of CPs blended with different acceptor units. Relaxation rate results indicate that CP blend with ITIC promises a better PV performance, illustrating that the current computational approach opens the door to determine bulk heterojunctions’ electronic performance for OPV devices and narrowing down the list of potential donor–acceptor candidates.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2022

Oxygen-atom transfer photochemistry of a molecular copper bromate complex

Here, we report the synthesis and oxygen-atom transfer (OAT) photochemistry of [Cu(tpa)BrO 3 ]ClO 4 . In situ spectroscopy and in crystallo experiments indicate OAT proceeds from a Cu–O fragment generated by sequential Cu–O bond cleavage and OAT from BrO x to [Cu(tpa)] + . Furthermore, these results highlight synthetic opportunities in M–O photochemistry and demonstrate the utility of in crystallo experiments to evaluating photochemical reaction mechanisms.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Bayesian Parameter Estimation of the k-ω Shear Stress Transport Model for Accurate Simulations of Impinging-Jet Heat Transfer

Given the lack of fusion-relevant component test facilities, current estimates of the thermo-fluid performance of plasma-facing components are based for the most part on numerical simulations. A major source of uncertainty in these simulations is the semiempirical turbulence (closure) models for the Reynolds stresses appearing in the governing Reynolds-averaged Navier-Stokes equations, which involve a set of constants that depend upon the flow. The objective of this study is to evaluate Bayesian parameter estimation of turbulence closure constants in ANSYS Fluent to model heat transfer in impinging jets. The Bayesian statistical calibration produces a probability distribution for these constants from experimental data; the maximum a posteriori estimates are then taken to be the calibrated constants, or parameters. The turbulence model constants are calibrated using an experimental study of a submerged jet of air impinging on a flat heated surface at Reynolds numbers Re = O(10 4 ) and impingement distance in jet diameters H/d = 2. Numerical predictions using the calibrated model parameters are then compared with those generated using the default constants. Predictions obtained with model parameters calibrated on datasets of two different sizes are compared to evaluate the effect of the number of calibration samples. Lastly, the extrapolative ability of the calibrated model is examined by predictions at a Re beyond the calibration values.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

A Radiative Transfer Model for Patchy Landscapes Based on Stochastic Radiative Transfer Theory

The availability of global high-resolution land cover maps provides promising a priori knowledge for characterizing subpixel heterogeneity and improving predictions of directional reflectance of coarse-resolution pixels. Due to mutual shadowing and sheltering effects between the adjacent forest and cropland patches, the spectral nonlinear mixing of patchy ecotones is significant, especially when the sun illuminates the ecotone from the forest side with high solar zenith angle. The spectral linear mixture (SLM) approach leads to overestimation of the bidirectional reflectance factor (BRF) in the red band in the principal plane (PP), with a maximum absolute error (MAE) of 0.0063 and a maximum relative error (MRE) of 52.5%, and to underestimation in the near-infrared band in PP with an MAE of 0.0940 and an MRE of 14.5%. In a scenario with randomly distributed boundary orientations, the overestimation of SLM increases with the degree of fragmentation and the view zenith angle. We propose a Radiative Transfer model for patchy ECotones (RTEC). which improves R² from 0.61 to 0.94 in the red band of Landsat-8 directional reflectance at the validation site. The RTEC model provides an efficient and analytical approach for directional reflectance predictions over heterogeneous patchy landscapes at coarse resolution and will be used for biophysical parameter retrievals [e.g., the leaf area index (LAI)] in future applications.

Zeng, Yelu↗
DOE OSTI2021

Solvation sheath reorganization enables divalent metal batteries with fast interfacial charge transfer kinetics

Efficient, rechargeable Mg and Ca batteries Divalent rechargeable metal batteries such as those based on magnesium and calcium are of interest because of the abundance of these elements and their lower tendency to form dendrites, but practical demonstrations are lacking. Hou et al . used methoxyethyl amine chelants in which the ligands attach to the metal atom in more than one place, modulating the solvation structure of the metal ions to enable a facile charge-transfer reaction (see the Perspective by Zuo and Yin). In full battery cells, these components lead to high efficiency and energy density. Theoretical calculations were used to understand the solvation structures. —MSL

Science & Technology - Other Topics↗
NASA NTRS1991

Comparison of two-way satellite time transfer and GPS common-view time transfer between OCA and TUG

For about one year the time scales UTC(OCA) and UTC(TUG) were compared by means of GPS and two-way satellite time transfer. At the end of the experiment both links were independently 'calibrated' by measuring the differential delays of the GPS receivers and of the satellite earth stations by transportation of a GPS receiver and of one of the satellite terminals. The results obtained by both methods differ by about 3 ns, but reveal a seasonal variation of about 8 ns peak-to-peak which is likely the result of a temperature-dependence of the delays of the GPS receivers used. For the comparison of both methods the stabilities of the timescales are of great importance. Unfortunately, during the last three months of the experiment a less stable clock had to be used for the generation of UTC(TUG).

D. Kirchner↗
NASA NTRS1955

Analysis of turbulent heat transfer, mass transfer, and friction in smooth tubes at high Prandtl and Schmidt numbers

The expression for eddy diffusivity from a previous analysis was modified in order to account for the effect of kinematic viscosity on the turbulence in the region close to a wall. By using the modified expression, good agreement was obtained between predicted and experimental results for heat and mass transfer at Prandtl and Schmidt numbers between 0.5 and 3000. The effects of length-to-diameter ratio and of variable viscosity were also investigated for a wide range of Prandtl numbers.

Deissler, Robert G↗
NASA NTRS2001

Hyperspectral Technology Transfer to the US Department of Interior: Summary of Results of the NASA/DOI Hyperspectral Technology Transfer Project

In 1997 the Office of Biological Informatics and Outreach (OBIO), Biological Resources Division, US Geological Survey and NASA, Office of Earth Science (OES), initiated a coordinated effort for applying Airborne Visible and Infrared Imaging Spectrometer (AVIRIS) data and analysis, as a technology transfer project, to critical DOI environmental issues in four study sites throughout the United States. This work was accomplished by four US Department of the Interior (DOI) study teams with support from NASA/OES principal investigators and the Office of Earth Science programs. The studies, including personnel, objectives, background, project plans, and milestones were documented in a project website at . This report summarizes the final outcomes of the project, detailing accomplishments, lessons learned, and benefits realized to NASA, the US Geological Survey, and the participating DOI bureaus.

Root, Ralph↗
DOE OSTI2022

Numerical Analysis of Liquid Metal MHD Flow and Heat Transfer for Open-Surface Li Divertor in FNSF

Within the ongoing U.S.-based program on the development of liquid metal plasma-facing components, numerical simulations and analyses are performed to address the feasibility of the open-surface Li divertor. In the previous scoping studies (Smolentsev, 2021), heat-removal capabilities of the divertor were assessed using a simplified flow model for a slug-type velocity profile and constant flow thickness. Here, new analyses take into account forces acting on the flowing Li layer. Three reduced-order mathematical models are applied under the conditions of the U.S. Fusion Nuclear Science Facility (FNSF) to access magnetohydrodynamic (MHD) flow development effects, velocity distribution, and surface waves: 1) fully developed MHD flow; 2) quasi-2-D developing MHD flow; and 3) multiphase MHD flow. The obtained results for MHD flows and the surface heat flux computed with the plasma code scrape-off layer plasma simulation for ITER (SOLPS-ITER) are then used as input data to compute the temperature distribution in the divertor by solving the convection–diffusion energy equation.

Smolentsev, Sergey↗