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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 883 records · Page 49

Performance evaluation of a metamaterial-based new cool roof using improved Roof Thermal Transfer Value model

A new cool roof with potential to generate significant energy savings in buildings has been developed from a metamaterial film named as RadiCold. Considering that the RadiCold film has unique optical and thermal characteristics and the current Roof Thermal Transfer Value model neglecting the effect of roof thermal mass that may lead to overestimating the cooling load from roofs, this work developed an improved Roof Thermal Transfer Value model and validated the model for both RadiCold cool roof and traditional roofing structures. Data from the reduced-size model building experiments showed that the improved Roof Thermal Transfer Value model can accurately describe the heat gains or losses via the roofs. Under real-world weather conditions in the United States (Tucson AZ, Los Angeles, CA, and Orlando FL), the improved Roof Thermal Transfer Value model has been applied to three types of roof exterior finishing: shingle, Thermoplastic Polyolefin (a cool roof material) and RadiCold. In a typical meteorology year, the modeling results show that the shingle and Thermoplastic Polyolefin roof transfer 78.9–294.1 kWh/(m 2 ·yr) and 8.5–128.2 kWh/(m 2 ·yr) of heat into the building space, respectively, but the RadiCold cool roof dissipates 137.6–268.7 kWh/(m 2 ·yr) of heat from the building space to outdoor environment (e.g., sky). The cooling load reduction from utilizing RadiCold cool roof results in cooling electricity savings of 113.0–143.9 kWh/(m 2 ·yr) compared to the shingle roof and 88.0–92.4 kWh/(m2·yr) compared to the Thermoplastic Polyolefin roof for the three analyzed locations with an assumed air conditioning system’s coefficient of performance of 3.0.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Heat transfer in directly-irradiated high-temperature solid–gas flows laden with polydisperse particles

Heat transfer in directly-irradiated high-temperature solid–gas flows laden with polydisperse particles is investigated using a novel transient three-dimensional computational fluid dynamics model. The model couples particle–gas hydrodynamics of solid–gas flows laden with polydisperse particles, radiative heat transfer in non-grey absorbing, emitting and anisotropically-scattering multi-component participating media, conduction heat transfer in the gas phase, and interfacial convection heat transfer. The multiphase particle-in-cell method is used to predict high-fidelity solid–gas flow characteristics, such as the local discrete particle size distribution, with increased computational efficiency by combining the advantages of both Eulerian and Lagrangian methods. The multi-component radiative transfer model is implemented using an advanced collision-based Monte Carlo ray-tracing method. The number of the prescribed discrete particle components is found to be the key parameter affecting the computational accuracy and efficiency, which primarily depends on the size distribution of the particles. For the model particle–gas flow featuring free-falling Gamma-distributed ceramic particles exposed to concentrated solar irradiation, the particle volume fraction, radiative, fluid flow and thermal characteristics appear to converge with the increasing number of the discrete particle components. Five particle components are sufficient to obtain physically meaningful results. A further increase in the number of the particle components only slightly increases the accuracy of the numerical predictions at the expense of a rapidly increasing computational time. For five particle components, the particle vertical velocity at the receiver exit for particles with the diameter of 43.4 μm is 57% of that for the particles with the diameter of 202.8 μm. The temperatures of these two particle components increase from the initial ambient values by factors of 2 and 1.2, respectively, during the simulation time. In conclusion, the model developed allows for increased fidelity of particle–gas flow simulations with significant radiative effects.

97 MATHEMATICS AND COMPUTING↗

Sharing is caring: An extensive analysis of parameter-based transfer learning for the prediction of building thermal dynamics

In recent years deep neural networks have been proposed as a lightweight data-driven model to capture high-dimensional, nonlinear physical processes to predict building thermal responses. However, the need of a large amount of data for the training process of deep neural networks clashes with the potential limited data availability in most existing or new buildings. Transfer learning aims to enhance the performance of a target learner exploiting knowledge from related and similar environments. This study conducted a suite of experiments that leveraged 250 data-driven models based on a synthetic dataset of a building archetype to study the influence of data availability, energy efficiency level, occupancy and climate for the transfer process of thermal dynamics. The performance of the transfer learning process was compared against a classical machine learning approach. Here, the results suggest that building thermal dynamics can be effectively transferred under the same climatic conditions, increasing performance when dealing with different occupancy schedules, efficiency levels and low data availability. Furthermore, the paper compares the performance of both transfer learning and machine learning approaches in an online fashion, to support the implementation in real-world deployment.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Exploratory analysis and performance prediction of big data transfer in High-performance Networks

Big data transfer in large-scale scientific and business applications is increasingly carried out over connections with guaranteed bandwidth provisioned in High-performance Networks (HPNs) via advance bandwidth reservation. Provisioning agents need to carefully schedule data transfer requests, compute network paths, and allocate appropriate bandwidths. Such reserved bandwidths, if not fully utilized, could be simply wasted due to the exclusive access during the approved time window, and cause extra overhead and complexity for resource management. This calls for accurate performance prediction to reserve bandwidths that match actual needs and avoid over-provisioning. We employ machine learning algorithms to predict big data transfer performance based on extensive performance measurements collected in the past several years from data transfer tests using different protocols and toolkits between various end sites on several real-life physical or emulated testbeds. We first analyze the performance patterns in response to a comprehensive list of parameters in end-host systems, network connections, and data transfer applications, which motivate the use of machine learning and also help us identify the effects of latent factors. We then propose threshold- and clustering-based methods to eliminate negative effects of latent factors in data preprocessing and build a robust performance predictor based on customized domain-oriented loss functions. The performance of the proposed methods is verified by extensive experiments using SVR and RFR as well as theoretical analysis of the general performance bound.

97 MATHEMATICS AND COMPUTING↗

Investigating explainable transfer learning for battery lifetime prediction under state transitions

Battery lifetime prediction at early cycles is crucial for researchers and manufacturers to examine product quality and promote technology development. Machine learning has been widely utilized to construct data-driven solutions for high-accuracy predictions. However, the internal mechanisms of batteries are sensitive to many factors, such as charging/discharging protocols, manufacturing/storage conditions, and usage patterns. These factors will induce state transitions, thereby decreasing the prediction accuracy of data-driven approaches. Transfer learning is a promising technique that overcomes this difficulty and achieves accurate predictions by jointly utilizing information from various sources. Hence, we develop two transfer learning methods, Bayesian Model Fusion and Weighted Orthogonal Matching Pursuit, to strategically combine prior knowledge with limited information from the target dataset to achieve superior prediction performance. From our results, our transfer learning methods reduce root-mean-squared error by 41% through adapting to the target domain. Furthermore, the transfer learning strategies identify the variations of impactful features across different sets of batteries and therefore disentangle the battery degradation mechanisms and the root cause of state transitions from the perspective of data mining. These findings suggest that the transfer learning strategies proposed in our work are capable of acquiring knowledge across multiple data sources for solving specialized issues.

25 ENERGY STORAGE↗

Experimental investigation of Multi-Mode heat transfer to a Free-Falling dilute particle cloud in a heated vertical tube

The development of dilute particle heat exchangers and reactors for advanced energy systems requires an understanding of the multi-mode heat transfer from a heated wall to falling particles. This study presents experimental results of the overall heat transfer coefficient for a free-falling, dilute flow of particles with solid volume fraction from 0.0005 to 0.006 corresponding to feed rates from 3.7 kg s -1 m -2 to 44 kg s -1 m -2 in a vertical, heated tube containing quiescent air at atmospheric pressure. Tube wall temperatures are varied between 300°C to 900°C while keeping the particle inlet temperature constant. The experimental results show that the overall heat transfer coefficient is a strong function of particle feed rate and surface temperature. Good agreement was obtained with prior studies conducted at comparable temperatures but lower particle feed rates (< 4 kg m -2 s -1 ). The established correlations for particle-to-wall radiation and particle-to-gas convection were used to estimate the wall-to-gas convective contribution from the measured overall heat transfer coefficient. The experimental results indicated a 4 to 6 times improvement in the wall convection in the solid-gas mixture compared to that expected from natural convection in a single-phase gas. Furthermore, the data presented here are applicable to characterize heat transfer in dilute particle heat exchangers, furnaces, and solar receivers.

14 SOLAR ENERGY↗

Electron transfer calculations between edge sharing octahedra in hematite, goethite, and annite

A key reaction underlying the charge transport in iron containing oxides, clays, micas is the Fe$^{2+}$-Fe$^{3+}$ exchange reaction between edge-sharing iron octahedra. These reactions facilitate conduction in these minerals by the thermally-activated hopping of small polarons across the lattice. Depending on the mineral and local charge state the small polaron can either encase an electron or hole. The probability for conduction of small polarons depends strongly on the height and adiabicity of the reaction barrier, with larger and more diabatic barriers yielding slow conduction associated with either weak coupling or a large prerequisite rearrangement of the lattice during charge transport. To model these reactions, a first principle electron transfer (ET) method was developed to model the small polaron hopping between the edge-sharing octahedra sites in hematite ($e^{-}$ polaron), goethite ($e^{-}$ polaron), and annite ($h^{+}$ polaron) bulk structures. The ET method is based on electronic structure methods (i.e., plane-wave Density Functional Theory) capable of performing calculations with periodic cells and large size systems efficiently while at the same time being accurate enough to be used in the estimation of the electron-transfer coupling matrix element, $V_{AB}$, and the electron transfer transmission factor, $\kappa_{el}$. Additionally, the calculations confirmed the existence of small polarons in all three minerals, and the reactions were predicted to be strongly adiabatic. It was found that transfer of a hole in the octahedral layer of annite had an adiabatic barrier of $0.311$ eV, and the transfer of an extra electron in hematite and goethite had adiabatic barriers of $0.242$ eV and $0.232$ eV respectively. The electronic coupling parameters,$V_{AB}$, were found to be $0.188$ eV, $0.196$ eV, and $0.102$ eV respectively for hematite, goethite, and annite. While similar bonding topologies pertain, the underlying basis for the differences is the subtle differences in local structures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Convective heat transfer enhancement through additively built multiscale micro-tetrahedron features

Use of Additive Manufacturing (AM) to improve the heat transfer characteristics of tip shrouds in high-pressure turbines is being considered by industries. Existing designs of these components integrate micro-cooling channels to reduce the bulk temperature for improved life. In this research, closely packed micro tetrahedron features in addition to AM roughness has been considered. Further, this multiscale surface characteristics increased surface area per unit volume available for heat exchange. Micro-tet features were designed, manufactured, characterized, and evaluated systematically while increasing their height. An enormous increase in the overall wetted surface area by 200 % was measured. The convective heat transfer enhancement was ~3.72 times EDM rough coupon, and friction factor enhancement was ~5.5 times EDM rough coupon. Furthermore, the proposed design offers 2.5 times enhanced heat transfer for a given 2 W pumping power compared to our EDM rough coupon. Heat transfer enhancement was observed to not vary strongly with increased Reynolds number. Such complex designs are only possible through additive manufacturing for increased heat transfer with little pressure penalty. Finally, increasing the micro-tet height for increased surface area and improved heat exchange beyond an upper limit might not be a significant benefit as it gets compensated by increasing skin friction.

42 ENGINEERING↗

Heat transfer characteristics of impinging steady and synthetic jets over vertical flat surface

In this paper, heat transfer characteristics of single-slot impinging steady and synthetic jets on a 25.4-mm × 25.4-mm vertical surface were experimentally investigated. The experiments were conducted with a fixed nozzle width of 1 mm. For the steady jet study, the parameters varied in the testing were nozzle length (4 mm, 8 mm, 12 mm, 15 mm), Reynolds (Re) number (100–2500), and dimensionless nozzle-to-plate spacing (H/D h = 5, 10, 15, 20). Correlations for average Nusselt (Nu) number were developed to accurately describe experimental data. The heat transfer coefficient over a vertical surface increases with increasing Re number. For a small nozzle-to-plate spacing (H/D h = 5), the average Nu number is not only a function of the Re number, but also a function of nozzle length. For large nozzle-to-plate spacing (H/D h ⩾ 10) and a nozzle length larger than 8 mm, the heat transfer coefficient is insensitive to H/D h and nozzle length. An 8-mm × 1-mm synthetic jet was studied by varying the applied voltage (20–100 V), frequency (200–600 Hz), and dimensionless nozzle-to-plate spacing (H/D h = 5, 10, 15, 20). Compared to the steady jet, the synthetic jet exhibited up to a 40% increase in the heat transfer coefficient. As a result, the dynamic Re number was introduced to correlate heat transfer characteristics between synthetic jets and steady jets. Using the dynamic Re number collapses the synthetic and steady jet data into a single Nu number curve.

33 ADVANCED PROPULSION SYSTEMS↗

An analysis of (the lack of) slip transfer between near-cube oriented grains in pure Al

Slip transfer across grain boundaries was studied in annealed polycrystalline Al foils deformed in uniaxial tension by means of the analysis of the slip traces on the specimen surface. Grain orientations and selected grain boundary misorientations were measured on both surfaces of the sample using electron back-scattered diffraction mapping. Most of the grains were within 15° of a cube orientation and approximately half of the grains percolated through the specimen thickness. The Luster-Morris m ' parameter (that can be computed from the surface grain orientation) was used to assess the likelihood of slip transfer across boundaries. It was found that transfer across grain boundaries was rare in near-cube oriented grains, and consistently convincing evidence was only found when m ' > 0.97, which corresponds to low-angle boundaries with <15° misorientation. This behaviour was explained by the presence of many active slip slips in near-cube oriented grains that favor self-accommodation of the grain shape to the evolving boundary conditions imposed by neighboring grains instead of promoting slip transfer across the boundary. Finally, these results indicate that the alignment between slip planes and slip directions across the boundary is not the only important metric to determine the threshold for slip transfer, as the particular details of deformation in each grain (such as the number of available slip systems) also must be considered.

36 MATERIALS SCIENCE↗

A hybrid transport-diffusion model for radiative transfer in absorbing and scattering media

A new multi-scale hybrid transport-diffusion model for radiative transfer is proposed in order to improve the efficiency of the calculations close to the diffusive regime, in absorbing and strongly scattering media. In this model, the radiative intensity is decomposed into a macroscopic component calculated by the diffusion equation, and a mesoscopic component. The transport equation for the mesoscopic component allows to correct the estimation of the diffusion equation, and then to obtain the solution of the linear radiative transfer equation. In this work, results are presented for stationary and transient radiative transfer cases, in examples which concern solar concentrated and optical tomography applications. The Monte Carlo and the discrete-ordinate methods are used to solve the mesoscopic equation. It is shown that the multi-scale model allows to improve the efficiency of the calculations when the medium is close to the diffusive regime. The proposed model is a good alternative for radiative transfer at the intermediate regime where the macroscopic diffusion equation is not accurate enough and the radiative transfer equation requires too much computational effort.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Energy transfer and 2.0 μm emission in Tm{sup 3+}/Ho{sup 3+} co-doped α-NaYF{sub 4} single crystals

Highlights: • Cubic NaYF{sub 4} single crystals co-doped with ∼1.90 mol% Tm{sup 3+} and various Ho{sup 3+} concentrations were grown by Bridgman method. • The maximum fluorescence lifetime was 23.23 ms for Tm{sup 3+} (1.90 mol%)/Ho{sup 3+} (3.89 mol%) co-doped α-NaYF{sub 4}. • The obtained energy transfer rate (W{sub ET}) and energy transfer efficiency (η) of Tm{sup 3+}:{sup 3}F{sub 4} are 1077 s{sup −1} and 95.0%, respectively. • The maximum emission cross section reached 1.06 × 10{sup −20} cm{sup 2}. - Abstract: Cubic NaYF{sub 4} single crystals co-doped with ∼1.90 mol% Tm{sup 3+} and various Ho{sup 3+} concentrations were grown by Bridgman method. The energy transfer from Tm{sup 3+} to Ho{sup 3+} and the optimum fluorescence emission around 2.04 μm of Ho{sup 3+} ion were investigated based on the measured absorption spectra, emission spectra, emission cross section and decay curves under excitation of 800 nm LD. The emission intensity at 2.04 μm increased with the increase of Ho{sup 3+} concentration from 0.96 mol% to 3.89 mol% when the concentration of Tm{sup 3+} was held constantly at ∼1.90 mol%. Moreover, the maximum emission cross section reached 1.06 × 10{sup −20} cm{sup 2} and the maximum fluorescence lifetime was 23.23 ms for Tm{sup 3+}(1.90 mol%)/Ho{sup 3+}(3.89 mol%) co-doped one. According to the measured lifetime of Tm{sup 3+} single-doped and Tm{sup 3+}/Ho{sup 3+} co-doped samples, the maximum energy transfer efficiency of Tm{sup 3+}:{sup 3}F{sub 4} level was 95.0%. Analysis on the fluorescence dynamics indicated that electric dipole–dipole is dominant for the energy transfer from Tm{sup 3+} to Ho{sup 3+}.

36 MATERIALS SCIENCE↗

Effect of MgO shell on electron transfer from Cu doped ZnInS quantum dots to FePt nanoparticles

Highlights: • MgO-coated FePt NPs were synthesized using 4 nm FePt cores as seeds for the growth of MgO shell. • Significant PL quenching took place in Cu doped ZnInS QD-FePt NP system owing to photoexcited electron transfer. • The formation of interfacial MgO barriers could efficiently restrain the electron transfer at QD-FePt interface. - Abstract: The effect of MgO shell on the electron transfer between luminescent Cu doped ZnInS quantum dots (QDs) and magnetic FePt/MgO core/shell nanoparticles (NPs) was studied by using steady-state and time-resolved photoluminescence (PL) spectroscopy. MgO-coated FePt NPs were synthesized using 4 nm FePt cores as seeds for the growth of MgO shell, having a reduced saturation magnetization Ms compared to the pure FePt NPs. It was found that the shortening in PL lifetime of Cu doped ZnInS QDs induced by FePt NPs demonstrated an electrons transfer process from excited QDs to the adjacent FePt NPs. When FePt NPs were coated with a MgO shell, the low work function of MgO shell resulted in a formation of higher interfacial barriers between Cu doped ZnInS QDs and FePt NPs, significantly suppressing the electron transfer at Cu doped ZnInS QD-FePt NP interface.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

New frontiers in atom probe tomography: a review of research enabled by cryo and/or vacuum transfer systems

There has been a recent surge in the use of cryo and/or vacuum specimen preparation and transfer systems that are broadening the scope of research enabled by the microscopy technique of atom probe tomography. This is driven by the fact that, like for many microscopes, the application of atom probe to air and temperature sensitive materials or wet biological specimens has previously been limited by through-air-transfer and through-vacuum-transfer at room temperature. Here we provide an overview of the critical areas of research that require these new transfer and analysis protocols, as well as a review of current advances in transfer devices, environmental cells and glove boxes for controlled sample manipulation. This includes the study of catalysis and corrosion, the application of atom probe to biological samples, the study of liquid-solid interfaces, natural ageing investigations and the analysis of hydrogen in metals.

36 MATERIALS SCIENCE↗

Enhanced pool boiling heat transfer using novel inverted trapezoid microgroove structures

Pool boiling heat transfer improvements with enhanced surfaces have been extensively studied for various hydrofluorocarbon (HFC) refrigerants. However, there is a limited number of studies in the open literature that focus on the pool boiling heat transfer characteristics of hydrofluoroolefin (HFO) refrigerants on enhanced surfaces. This study aims to address this gap by analyzing the pool boiling behavior of HFO refrigerants, specifically R1234yf and R1234ze(E). Experiments were conducted on both plain surfaces and novel inverted trapezoid microgroove structures. Further, the experimental results indicate that the microgroove structures can improve heat transfer coefficients by up to 80% compared to plain surfaces. Additionally, the performance of R1234yf and R1234ze(E) was compared to that of R134. It was observed that R1234yf exhibited comparable performance to R134a, while R1234ze(E) showed slightly lower performance. To assess the influence of saturation temperature on pool boiling heat transfer, tests were conducted at different saturation temperatures of 15℃, 25℃, and 35℃. The findings revealed that the pool boiling heat transfer coefficient increases with rising saturation temperature.

42 ENGINEERING↗

Changing Directions: Influence of Ligand Electronics on the Directionality and Kinetics of Photoinduced Charge Transfer in Cu(I)Diimine Complexes

A key challenge to the effective utilization of solar energy is to promote efficient photoinduced charge transfer, specifically avoiding unproductive, circuitous electron-transfer pathways and optimizing the kinetics of charge separation and recombination. We hypothesize that one way to address this challenge is to develop a fundamental understanding of how to initiate and control directional photoinduced charge transfer, particularly for earth-abundant first-row transition-metal coordination complexes, which typically suffer from relatively short excited-state lifetimes. Here, in this paper, we report a series of functionalized heteroleptic copper(I)bis(phenanthroline) complexes, which have allowed us to investigate the directionality of intramolecular photoinduced metal-to-ligand charge transfer (MLCT) as a function of the substituent Hammett parameter. Ultrafast transient absorption suggests a complicated interplay of MLCT localization and solvent interaction with the Cu(II) center of the MLCT state. This work provides a set of design principles for directional charge transfer in earth-abundant complexes and can be used to efficiently design pathways for connecting the molecular modules to catalysts or electrodes and integration into systems for light-driven catalysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Permittivity Threshold and Thermodynamics of Integer Charge-Transfer Complexation for an Organic Donor–Acceptor Pair

Molecular or chemical-based charge doping provides a means to change the properties (e.g. conductivity) of a material through a complete or partial transfer of charge between its constituents. Understanding how local material environment impacts this process is thus important for controlling the properties of organic materials. This paper presents spectroscopic investigations of molecular charge transfer interactions between a pair of common charge-doping and -transporting materials (2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane, F4TCNQ, and N,N’-Diphenyl-N-N’-di-p-tolylbenzene-1,4-diamine, MPDA). Equilibrium constants associated with charge transfer were determined for donor-acceptor pairs dissolved in a series of solvents covering a range of values of permittivity. A threshold for highly favorable charge separation was observed to occur at a permittivity of ~8-9, with more and less favorable charge separation observed in solvents of higher and lower permittivity, respectively, but with chloroform (permittivity=4.81) exhibiting an anomalously favorable charge separation. Temperature-dependent studies were undertaken to assess the thermodynamics of charge separation. In 1,2- dichloroethane (permittivity=10.36) and chlorobenzene (permittivity=5.62), charge transfer was observed to be both enthalpically and entropically favorable. Charge separation in chloroform is exothermic and entropically disfavored, indicating that specific, inner-shell solvent-solute interactions stabilize the charge-separated complex and result in a net increase in local solution structure. Furthermore, our results provide insight on how modification to the chemical environment may be utilized to support stable charge transfer for molecular doping applications and requiring only modest changes in local permittivity.

36 MATERIALS SCIENCE↗

Facile Electron Transfer to CO 2 during Adsorption at the Metal|Solution Interface

We estimate the rate of electron transfer to CO 2 at the Au (211)|water interface during adsorption in an electrochemical environment under reducing potentials. On the basis of density functional theory calculations at the generalized gradient approximation and hybrid levels of theory, we find electron transfer to the adsorbed *CO 2 to be very facile. This high rate of transfer is estimated by the energy distribution of the adsorbate-induced density of states as well as from the interaction between diabatic states representing neutral and negatively charged CO 2 . Up to 0.62 electrons is transferred to CO 2 , and this charge adiabatically increases with the bending angle to a lower limit of 137°. Finally, we conclude that this rate of electron transfer is extremely fast compared to the time scale of the nuclear degrees of freedom, that is, the adsorption process.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗