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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 37 records · Page 2

Measurement of heat-transfer coefficients in shock wave-turbulent boundary layer interaction regions with a multi-layered thin film heat transfer gauge

A thin film heat transfer gauge is applied to the measurement of heat transfer coefficients in the interaction regions of incident shock waves and fully developed turbulent boundary layers. It was developed to measure heat flux with high spatial resolution and fast response for wind tunnels with long flow duration. To measure the heat transfer coefficients in the interaction region in detail, experiments were performed under the conditions of Mach number = 4, total pressure = 1.2 MPa, 0.59 to approximately 0.65. Reynolds number = 1.3 to approximately 1.5 x 10 to the 7th power and incident shock angles from 17.8 to 22.8 degrees. The results show that the heat transfer coefficient changes complicatedly in the interaction region. At the beginning the interaction region, the heat transfer coefficient decreases at first, reaches its minimum value at the point where the pressure begins to increase, and then increases sharply. When the boundary layer begins to separate, even a small separation bubble causes significant changes in the heat transfer coefficient, while the pressure does not show any changes which suggests that the boundary layer begins to separate.

Hayashi, M.↗

Preliminary Comparison of Two-Way Satellite Time and Frequency Transfer and GPS Common-View Time Transfer During the INTELSAT Field Trial

For a decade and a half Global Positioning System (GPS) common-view time transfer has greatly served the needs of primary timing laboratories for regular intercomparisons of remote atomic clocks. However, GPS as a one-way technique has natural limits and may not meet all challenges of the comparison of the coming new generation of atomic clocks. Two-way satellite time and frequency transfer (TWSTFT) is a promising technique which may successfully complement GPS. For two years, regular TWSTFT's have been performed between eight laboratories situated in both Europe and North America, using INTELSAT satellites. This has enabled an extensive direct comparison to be made between these two high performance time transfer methods. The performance of the TWSTFT and GPS common view methods are compared over a number of time-transfer links. These links use a variety of time-transfer hardware and atomic clocks and have baselines of substantially different lengths. The relative merits of the two time-transfer systems are discussed.

Davis, John A.↗

Unusual reactivity of a flavin in a bifurcating electron-transferring flavoprotein leads to flavin modification and a charge-transfer complex

From the outset, canonical electron transferring flavoproteins (ETFs) earned a reputation for containing modified flavin. We now show that modification occurs in the recently recognized bifurcating (Bf) ETFs as well. In Bf ETFs, the ’electron transfer’ (ET) flavin mediates single electron transfer via a stable anionic semiquinone state, akin to the FAD of canonical ETFs, whereas a second flavin mediates bifurcation (the Bf FAD). We demonstrate that the ET FAD undergoes trans- formation to two different modified flavins by a sequence of protein-catalyzed reactions that occurs specifically in the ET site, when the enzyme is maintained at pH 9 in an amine-based buffer. Our optical and mass spectrometric characterizations identify 8-formyl flavin early in the process and 8-amino flavins (8AFs) at later times. The latter have not previously been documented in an ETF to our knowledge. Mass spectrometry of flavin products formed in Tris or bis-tris-aminopropane solutions demonstrates that the source of the amine adduct is the buffer. Stepwise reduction of the 8AF demonstrates that it can explain a charge transfer band observed near 726 nm in Bf ETF, as a complex involving the hydroquinone state of the 8AF in the ET site with the oxidized state of unmodified flavin in the Bf site. This supports the possibility that Bf ETF can populate a conformation enabling direct electron transfer between its two flavins, as has been proposed for cofactors brought together in complexes between ETF and its partner proteins.

36 MATERIALS SCIENCE↗

Quantifying the Ligand-Induced Triplet Energy Transfer Barrier in a Quantum Dot-Based Upconversion System

During photon upconversion, quantum dots (QDs) transfer energy to molecules in solution through a long ligand shell. This insulating ligand shell imparts colloidal stability at the expense of efficient photosensitization. For the first time, we quantify the barrier these aliphatic ligands pose for triplet energy transfer in solution. Using transient absorption spectroscopy, we experimentally measure a small damping coefficient of 0.027 Å −1 for a ligand exceeding 10 carbons in length. The dynamic nature of ligands in solution lowers the barrier to charge or energy transfer compared to organic thin films. In addition, we show that surface ligands shorter than 8 carbons in length allow direct energy transfer from the QD, bypassing the need for a transmitter ligand to mediate energy transfer, leading to a 6.9% upconversion quantum yield compared with 0.01% for ligands with 18 carbons. Furthermore, this experimentally derived insight will enable the design of efficient QD-based photosensitizers for catalysis and energy conversion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Transfer learning for smart buildings: A critical review of algorithms, applications, and future perspectives

Smart buildings play a crucial role toward decarbonizing society, as globally buildings emit about one-third of greenhouse gases. In the last few years, machine learning has achieved a notable momentum that, if properly harnessed, may unleash its potential for advanced analytics and control of smart buildings, enabling the technique to scale up for supporting the decarbonization of the building sector. In this perspective, transfer learning aims to improve the performance of a target learner exploiting knowledge in related environments. The present work provides a comprehensive overview of transfer learning applications in smart buildings, classifying and analyzing 77 papers according to their applications, algorithms, and adopted metrics. The study identified four main application areas of transfer learning: (1) building load prediction, (2) occupancy detection and activity recognition, (3) building dynamics modeling, and (4) energy systems control. Furthermore, the review highlighted the role of deep learning in transfer learning applications that has been used in more than half of the analyzed studies. The paper also discusses how to integrate transfer learning in a smart building's ecosystem, identifying, for each application area, the research gaps and guidelines for future research directions.

Pinto, G↗

The effects of inlet turbulence and rotor/stator interactions on the aerodynamics and heat transfer of a large-scale rotating turbine model. Volume 2: Heat transfer data tabulation. 15 percent axial spacing

A combined experimental and analytical program was conducted to examine the effects of inlet turbulence on airfoil heat transfer. The experimental portion of the study was conducted in a large-scale (approx 5X engine), ambient temperature, rotating turbine model configured in both single stage and stage-and-a-half arrangements. Heat transfer measurements were obtained using low-conductivity airfoils with miniature thermcouples welded to a thin, electrically heated surface skin. Heat transfer data were acquired for various combinations of low or high inlet turbulence intensity, flow coefficient, first-stator/rotor axial spacing, Reynolds number and relative circumferential position of the first and second stators. Aerodynamic measurements obtained as part of the program include distributions of the mean and fluctuating velocities at the turbine inlet and, for each airfoil row, midspan airfoil surface pressures and circumferential distributions of the downstream steady state pressures and fluctuating velocities. Analytical results include airfoil heat transfer predictions produced using existing 2-D boundary layer computation schemes and an examination of solutions of the unsteady boundary layer equations. The results are reported in four separate volumes, of which this is Volume 2: Heat Transfer Data Tabulation; 15 Percent Axial Spacing.

Dring, R. P.↗

Radiative Heat Transfer Capability Implemented in OpenNCC for Conjugate Heat Transfer Applications

Thermal efficiency of gas turbine engine increases as the temperature and pressure at the combustor increases. Consequently, the materials used inside a combustor must survive an increasingly challenging environment. For this reason, accurate assessment of heat transfer is crucial for combustor design. While all three modes of heat transfer are present inside a combustor, the focus of this paper is the thermal radiation. Radiative heat transfer in a gas turbine combustors are particularly interesting from three reasons. Firstly, the radiative heat loss from the combustion region may affect the emission performance. Secondly, the cooling air will protect the liner from convection but not necessary from radiation. Finally, it is less frequently incorporated in CFD analysis than other forms of heat transfer. In this work, radiative heat transfer using discrete ordinate method has been incorporated in OpenNCC (a publicly releasable version of the National Combustion Code) developed at NASA Glenn Research Center. Aside from massively parallel computation capability using MPI and the ability to utilize unstructured mesh, the current implementation includes two types of spectral models, namely, the weighted some of gray gas model and the full spectrum correlated k-distribution model. After presenting the theory and the strategy of implementation, results of validation cases for gray gas and spectral models will be presented. While the implementation of the radiation solver is intended for gas turbine application, the radiation solver can run independently from the convection/combustion solver and the same theory can be applied to other application.

OpenNCC↗

Radiative Heat Transfer Capability Implemented in OpenNCC for Conjugate Heat Transfer Applications

Thermal efficiency of gas turbine engine increases as the temperature and pressure at the combustor increases. Consequently, the materials used inside a combustor must survive an increasingly challenging environment. For this reason, accurate assessment of heat transfer is crucial for combustor design. While all three modes of heat transfer are present inside a combustor, the focus of this paper is the thermal radiation. Radiative heat transfer in a gas turbine combustors are particularly interesting from three reasons. Firstly, the radiative heat loss from the combustion region may affect the emission performance. Secondly, the cooling air will protect the liner from convection but not necessary from radiation. Finally, it is less frequently incorporated in CFD analysis than other forms of heat transfer. In this work, radiative heat transfer using discrete ordinate method has been incorporated in OpenNCC (a publicly releasable version of the National Combustion Code) developed at NASA Glenn Research Center. Aside from massively parallel computation capability using MPI and the ability to utilize unstructured mesh, the current implementation includes two types of spectral models, namely, the weighted some of gray gas model and the full spectrum correlated k-distribution model. After presenting the theory and the strategy of implementation, results of validation cases for gray gas and spectral models will be presented. While the implementation of the radiation solver is intended for gas turbine application, the radiation solver can run independently from the convection/combustion solver and the same theory can be applied to other application.

OpenNCC↗

Accelerated Aging and Evaluation of Hose-In-Hose Transfer Lines in the Hanford Waste Transfer System - 20312

Nonmetallic materials are used in the United States Department of Energy's Hanford Site Tank Farm waste transfer system. These materials include the inner primary hoses in the hose-in-hose transfer lines (HIHTLs), Garlock{sup R} gaskets, ethylene propylene diene monomer (EPDM) O-rings, and other nonmetallic materials. These nonmetallic materials are exposed to β and γ radiation, caustic solutions as well as high temperature and pressure stressors. How the nonmetallic components react to each of these stressors individually has been well established. However, simultaneous exposure of these stressors has not been evaluated and is of great concern to Hanford Site engineers. Florida International University's Applied Research Center engineers worked closely with key Hanford's Washington River Protection Solutions personnel to develop an experimental test plan that determines how these nonmetallic components react to various simultaneous stressor exposures. In this paper, research on the experimental testing of the hose-in-hose transfer lines used in the Hanford tank farm waste transfer system under simultaneous stressor exposures is presented. The stressor exposure experiments consisted of various combinations of simultaneous stressor exposure of caustic solution, high temperature and high pressure stressors. Research efforts focused on evaluating the aging behavior of EPDM by exposing samples of HIHTLs as well as EPDM dog bone shaped specimens to a 25% NaOH solution at (38 deg. C), operating (54 deg. C) and design temperatures (77 deg. C) for 6 months and 12 months. In addition, HIHTL and the EPDM dog-bone specimens were exposed to only hot water at 77 deg. C for a duration of one year. The mechanical and material properties of the samples were characterized and compared with those of the unexposed samples (baseline). Evaluations included burst pressure tests of the EPDM hose-in-hose transfer lines and material tensile strength test of EPDM dog-bone coupons. Both the tensile strength of the EPDM material dog bones and the burst pressure of the HIHTLs significantly decreased with the increasing temperature and increasing exposure time. When compared with the baseline samples, the burst pressure decreased by 28.75% for the sample aged at 77 deg. C after 12 months, in comparison to sample aged at 38 deg. C and 54 deg. C which had about 1.34% and 5.70% loss in burst pressures, respectively, after 12-month exposure. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Impacts of Anisotropic Porosity on Heat Transfer and Off-Gassing during Biomass Pyrolysis

The pore structure of biogenic materials imbues the ability to deliver water and nutrients through a plant from root to leaf. This anisotropic pore granularity can also play a significant role in processes such as biomass pyrolysis that are used to convert these materials into useful products like heat, fuel, and chemicals. Evolutions in modeling of biomass pyrolysis as well as imaging of pore structures allow for further insights into the concerted physics of phase change-induced off-gassing, heat transfer, and chemical reactions. In this work, we report a biomass single particle model which incorporates these physics to explore the impact of implementing anisotropic permeability and diffusivity on the conversion time and yields predicted for pyrolysis of oak and pine particles. Simulation results showed that anisotropic permeability impacts predicted conversion time more than 2 times when the Biot number is above 0.1 and pyrolysis numbers (Py 1 , Py 2 ) are less than 20. Pore structure significantly impacts predicted pyrolytic conversion time (>8 times) when the Biot number is above 1 and the pyrolysis number is below 1, i.e., the “conduction controlled” regime. Therefore, these nondimensional numbers reflect that when internal heat conduction limits pyrolysis performance, internal pyrolysis off-gassing further retards effective heat transfer rates as a closely coupled phenomenon. Overall, this study highlights physically meaningful opportunities to improve particle-scale pyrolysis modeling and experimental validation relevant to a variety of feedstock identities and preparations, guiding the future design of pyrolyzers for efficient biomass conversion.

09 BIOMASS FUELS↗

Excited-State Charge Transfer in Push–Pull Platinum(II) π-Extended Porphyrins Fused with Pentacenequinone

Platinum(II) π-extended porphyrins fused with pentacenequinone and dihydropentacene have been successfully synthesized. These porphyrins were investigated using various techniques including absorption, steady-state, and time-resolved phosphorescence spectroscopy and differential pulse voltammetry. UV–vis absorption spectra of pentacenequinone-fused porphyrins (SW-Pt1 and SW-Pt2) showed unusually broad and nontypical absorption patterns. Phosphorescence spectra of SW-Pt1, SW-Pt2, and SW-Pt3 displayed similar emissions in the 704–706 nm region indicating electronic transitions of similar origin; however, the triplet lifetimes were found to be quenched in the case of both SW-Pt1 and SW-Pt2, suggesting the occurrence of excited-state events. Facile reductions were obtained for both the pentacene-quinone-fused monomer (SW-Pt2) and dimer (SW-Pt1) and were identified to be located at the pentacenequinone components. Here, the observed orbital segregations for SW-Pt2 and SW-Pt1 from DFT calculations supported the possibility of charge transfer in these push–pull systems. Interestingly, the established energy level diagram revealed that the charge transfer from the triplet excited Pt porphyrin is thermodynamically an uphill process. Systematic studies involving both femtosecond and nanosecond transient absorption techniques revealed that the singlet excited Pt porphyrins undergo an intermediate charge transfer state prior to populating the triplet state, providing a plausible explanation for phosphorescence quenching. The lifetime of the intermediate charge transfer states was found to be 25.9 and 5.68 ps, respectively, for SW-Pt1 and SW-Pt2.

Charge transfer↗

Comparison of the Energy-Transfer Rates in Structural and Spectral Variants of the B800–850 Complex from Purple Bacteria

Photosynthetic light harvesting can occur with a remarkable near-unity quantum efficiency. The B800–850 complex, also known as light-harvesting complex 2 (LH2), is the primary light-harvesting complex in purple bacteria and has been extensively studied as a model system. The bacteriochlorophylls of the B800–850 complex are organized into two concentric rings, known as the B800 and B850 rings. However, depending on the species and growth conditions, the number of constituent subunits, the pigment geometry, and the absorption energies vary. While the dynamics of some B800–850 variants have been exhaustively characterized, others have not been measured. Furthermore, a direct and simultaneous comparison of how both structural and spectral differences between variants affect these dynamics has not been performed. In this work, we utilize ultrafast transient absorption measurements to compare the B800 to B850 energy-transfer rates in the B800–850 complex as a function of the number of subunits, geometry, and absorption energies. The nonameric B800–850 complex from Rhodobacter (Rb.) sphaeroides is 40% faster than the octameric B800–850 complex from Rhodospirillum (Rs.) molischianum, consistent with structure-based predictions. In contrast, the blue-shifted B800–820 complex from Rs. molischianum is only 20% faster than the B800–850 complex from Rs. molischianum despite an increase in the spectral overlap between the rings that would be expected to produce a larger increase in the energy-transfer rate. These measurements support current models that contain dark, higher-lying excitonic states to bridge the energy gap between rings, thereby maintaining similar energy-transfer dynamics. Altogether, these results demonstrate that energy-transfer dynamics in the B800–850 complex are robust to the spectral and structural variations between species used to optimize energy capture and flow in purple bacteria.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

General Kinetic Model for pH Dependence of Proton-Coupled Electron Transfer: Application to an Electrochemical Water Oxidation System

The pH dependence of proton-coupled electron transfer (PCET) reactions, which are critical to many chemical and biological processes, is a powerful probe for elucidating their fundamental mechanisms. Herein, a general, multichannel kinetic model is introduced to describe the pH dependence of both homogeneous and electrochemical PCET reactions. According to this model, a weak pH dependence can arise from the competition among multiple sequential and concerted PCET channels involving different forms of the redox species, such as protonated and deprotonated forms, as well as different proton donors and acceptors. The contribution of each channel is influenced by the relative populations of the reactant species, which often depend strongly on pH, leading to complex pH dependence of PCET apparent rate constants. This model is used to explain the origins of the experimentally observed weak pH dependence of the electrochemical PCET apparent rate constant for a ruthenium-based water oxidation catalyst attached to a tin-doped In2O3 (ITO) surface. The weak pH dependence is found to arise from the intrinsic differences in the rate constants of participating channels and the dependence of their relative contributions on pH. This model predicts that the apparent maximum rate constant will become pH-independent at higher pH, which is confirmed by experimental measurements. Our analysis also suggests that the dominant channels are electron transfer at lower pH and sequential PCET via electron transfer followed by fast proton transfer at higher pH. Furthermore, this work highlights the importance of considering multiple competing channels simultaneously for PCET processes.

Catalysts↗

Sub-100-fs energy transfer in coenzyme NADH is a coherent process assisted by a charge-transfer state

Excitation energy transfer (EET) is a key photoinduced process in biological chromophoric assemblies. Here we investigate the factors which can drive EET into efficient ultrafast sub-ps regimes. We demonstrate how a coherent transport of electronic population could facilitate this in water solvated NADH coenzyme and uncover the role of an intermediate dark charge-transfer state. High temporal resolution ultrafast optical spectroscopy gives a 54 ± 11 fs time constant for the EET process. Nonadiabatic quantum dynamical simulations computed through the time-evolution of multidimensional wavepackets suggest that the population transfer is mediated by photoexcited molecular vibrations due to strong coupling between the electronic states. The polar aqueous solvent environment leads to the active participation of a dark charge transfer state, accelerating the vibronically coherent EET process in favorably stacked conformers and solvent cavities. Our work demonstrates how the interplay of structural and environmental factors leads to diverse pathways for the EET process in flexible heterodimers and provides general insights relevant for coherent EET processes in stacked multichromophoric aggregates like DNA strands.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Excited state electron transfer in A 2 and A 2 B 2 functionalized zinc porphyrins carrying rigid and flexible β -pyrrole π-extended substituents

Optical absorption and emission, electrochemical, and photochemical properties of peripherally functionalized with flexible and rigid π-extended substituents on A 2 and A 2 B 2 type zinc porphyrins is investigated. The significance of rigid π-substituents over flexible ones in governing the spectral properties is unraveled. Flexible π-substituents on the porphyrin ring caused appreciable spectral broadening compared to porphyrin carrying rigid π-substituents. Further, supramolecular dyads are formed by coordinating phenyl imidazole functionalized fullerene, C 60 Im. Here, the calculated binding constants for the 1:1 complexes is in the order of 2–7 × 10 5 M −1 suggesting stable complex formation. Free-energy calculations performed according to the Rehm–Weller approach suggested possibility of excited state electron transfer in these dyads. Femtosecond transient absorption studies of the dyads performed in o-dichlorobenzene showed evidence of occurrence of electron transfer from the singlet-excited state that was in competition with the intersystem crossing process to populate the triplet-excited state of porphyrins.

A2 and A2B2 functionalized zinc↗

Prediction of moisture transfer in cement-based materials: Use of a porous network model to access transfer parameters

Knowing the water transport phenomena is fundamental for understanding the durability of cement-based materials. The moisture content within cementitious materials is of primary importance because it has a direct influence on mechanical (shrinkage, creep) and chemical (penetration of aggressive agents) degradation. Many models based on the determination of the transfer properties of the material under study already exist but require fitting of the parameters to find the experimental kinetics. Transfer parameters are generally estimated from the empirical approaches developed for soils by Van Genuchten and the water vapour diffusion reduction factor is often calculated via Millington's semi-empirical model. In this paper, we make a proposal to improve the prediction of moisture transfer, through mechanisms such as drying, capillary imbibition and water vapour permeability in cement-based materials, by using a porous network model to access the transfer parameters.

36 MATERIALS SCIENCE↗