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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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Measuring Sustainability of Solar Modules for Energy Transition: Mass, Energy, and Circularity

Transition to a carbon-free energy system is crucial for global decarbonization and underpins Circular Economy (CE) goals. Photovoltaic (PV) technology is required for Energy Transition, but manufacturing and circular pathways can be material, energy, and carbon-intensive. Therefore, we need a prioritization of sustainability strategies for PV evolution and lifecycle management in the context of Energy Transition. This study employs a suite of quantitative metrics to compare different proposed sustainability strategies for PV modules on their ability to achieve Energy Transition. Proposals for sustainable PV range from high-yield, high-efficiency paradigms, to short-lived and fully recyclable, to long-lasting, indestructible modules. We leverage a global decarbonization deployment schedule through 2100 with the open-source PV in Circular Economy (PV ICE) tool to quantify the impacts of different evolving module design scenarios covering the range of proposed sustainability strategies. First, modules are compared on effective capacity and required replacements to meet and maintain decarbonization capacity targets through 2100. We demonstrate the effects of lifetime, degradation, and reliability on effective capacity. Next, we quantify and compare virgin material demands and lifecycle wastes, examining the impacts of lifetime and recycling rates. Finally, and critically for renewable energy technologies, we quantify the energy demands required to achieve the decarbonization capacity targets and calculate energy balance metrics (net energy, energy return on investment). These results are then summarized into a metric matrix, demonstrating tradeoffs and the importance of longevity. Our suite of mass and energy metrics provides stakeholders and decision-makers with quantitative data on circular economy choices for PV in the energy transition, enabling informed evaluation of tradeoffs of different PV module designs and CE pathways.

circular economy↗
DOE OSTI2020

Dynamical Control of Broadband Coherent Absorption in ENZ Films

Interferometric effects between two counter-propagating beams incident on an optical system can lead to a coherent modulation of the absorption of the total electromagnetic radiation with 100% efficiency even in deeply subwavelength structures. Coherent perfect absorption (CPA) rises from a resonant solution of the scattering matrix and often requires engineered optical properties. For instance, thin film CPA benefits from complex nanostructures with suitable resonance, albeit at a loss of operational bandwidth. In this work, we theoretically and experimentally demonstrate a broadband CPA based on light-with-light modulation in epsilon-near-zero (ENZ) subwavelength films. We show that unpatterned ENZ films with different thicknesses exhibit broadband CPA with a near-unity maximum value located at the ENZ wavelength. By using Kerr optical nonlinearities, we dynamically tune the visibility and peak wavelength of the total energy modulation. Our results based on homogeneous thick ENZ media open a route towards on-chip devices that require efficient light absorption and dynamical tunability.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Quantifying spectral albedo effects on bifacial photovoltaic module measurements and system model predictions

We provide a comprehensive analysis of the effect of spectral albedo on photovoltaic (PV) module measurements and system model predictions. We demonstrate how to account for albedo in indoor bifacial device measurements by adjusting the applied irradiance using the scaled rear irradiance method, exemplified on fabricated silicon heterojunction (SHJ) modules. System model performance is studied using a detailed 3D finite-element model, DUET, for fixed-tilt and horizontal single-axis tracked (SAT) arrays between 15 and 75°N. Spectral effects cause variations in measured SHJ module short-circuit current up to 2% and efficiency variation up to 0.3% abs. We further demonstrate that rear-side spectral mismatch factors (SMMs) resulting from including or omitting spectral albedo in PV system modeling vary between ±13%, while total (front+rear) SMMs vary up to 3%, depending on the deployment configuration and latitude. SAT array SMMs are weakly correlated with latitude, while fixed-tilt array SMMs increase with latitude, driven by an increasing proportion of ground-reflected light on the front-side of modules. Ground-reflections can constitute between 2% and 32% of total incident module irradiance, with notably high (>10%) contributions for fixed-tilt arrays at high latitude. Effects of spectral albedo are most significant for: (1) fixed-tilt deployments at high latitudes, (2) wide bandgap technologies such as perovskite and cadmium telluride cells, (3) albedos which vary steeply over the technology's absorption range, and (4) high albedo ground covers. Overall, we demonstrate that omitting spectral albedo effects can result in PV measurement and system-level modeling uncertainties on the order of several percent in these cases.

14 SOLAR ENERGY↗
DOE OSTI2022

Acoustic force spectroscopy reveals subtle differences in cellulose unbinding behavior of carbohydrate-binding modules

Protein adsorption to solid carbohydrate interfaces is critical to many biological processes, particularly in biomass deconstruction. To engineer more-efficient enzymes for biomass deconstruction into sugars, it is necessary to characterize the complex protein–carbohydrate interfacial interactions. A carbohydrate-binding module (CBM) is often associated with microbial surface-tethered cellulosomes or secreted cellulase enzymes to enhance substrate accessibility. However, it is not well known how CBMs recognize, bind, and dissociate from polysaccharides to facilitate efficient cellulolytic activity, due to the lack of mechanistic understanding and a suitable toolkit to study CBM–substrate interactions. Our work outlines a general approach to study the unbinding behavior of CBMs from polysaccharide surfaces using a highly multiplexed single-molecule force spectroscopy assay. Here, we apply acoustic force spectroscopy (AFS) to probe a Clostridium thermocellum cellulosomal scaffoldin protein (CBM3a) and measure its dissociation from nanocellulose surfaces at physiologically relevant, low force loading rates. An automated microfluidic setup and method for uniform deposition of insoluble polysaccharides on the AFS chip surfaces are demonstrated. The rupture forces of wild-type CBM3a, and its Y67A mutant, unbinding from nanocellulose surfaces suggests distinct multimodal CBM binding conformations, with structural mechanisms further explored using molecular dynamics simulations. Applying classical dynamic force spectroscopy theory, the single-molecule unbinding rate at zero force is extrapolated and found to agree with bulk equilibrium unbinding rates estimated independently using quartz crystal microbalance with dissipation monitoring. However, our results also highlight critical limitations of applying classical theory to explain the highly multivalent binding interactions for cellulose–CBM bond rupture forces exceeding 15 pN.

09 BIOMASS FUELS↗
DOE OSTI2022

Temperature and illumination dependence of silicon heterojunction solar cells with a wide range of wafer resistivities

Abstract Recently, the significant improvements in the surface and contact passivation of silicon (Si) solar cells as well as their bulk quality have shifted their operating point to higher injections. Hence, they are less dependent on wafer doping. This shift opens an opportunity of using high‐resistivity wafers for practical photovoltaic applications, introducing a promising approach to push the cell efficiency towards the intrinsic limit and to improve the module reliability by increasing the cell breakdown voltage. Therefore, insights into the performance of Si solar cells using high‐resistivity wafers at various operating temperatures are of significant interest. In this study, we investigate the temperature‐ and illumination‐dependent performance of Si heterojunction (SHJ) solar cells using a wide range of wafer resistivities (between 3 and 1000 Ω⋅cm). Although a reduction in the passivation quality of the passivating contacts is observed at elevated temperature, the impact on the temperature coefficient of the open‐circuit voltage (TC V oc )—the dominant contributor to the temperature coefficient (TC) of the cell efficiency—is very limited. Their TC V oc are still dominated by the temperature dependence of the effective intrinsic carrier concentration. Furthermore, we also find that the investigated cells are more sensitive to temperature variation at lower illumination intensities. It is noteworthy that the efficiency of the cells fabricated using high‐resistivity wafers is comparable to that of the reference cells at any given temperature, highlighting the potential of using high‐resistivity wafers for solar cells.

14 SOLAR ENERGY↗
DOE OSTI2020

Resonance-Promoted Formic Acid Oxidation via Dynamic Electrocatalytic Modulation

It is a truth universally acknowledged that faster catalysts enable more efficient transformation of molecules to useful products and enhance the utilization of natural resources. However, the limit of static catalyst performance defined by the Sabatier principle has motivated a dynamic approach to catalyst design, whereby catalysts oscillate between varying energetic states. In this work, the concept of dynamic catalytic resonance was experimentally demonstrated via the electrocatalytic oxidation of formic acid over Pt. Oscillation of the electrodynamic potential between 0 and 0.8 V NHE via a square waveform at varying frequency (10 –3 < f < 10 3 Hz) increased the turnover frequency to ~20 s –1 at 100 Hz, over one order of magnitude (20×) faster than optimal potentiostatic conditions. We attribute the accelerated dynamic catalysis to nonfaradaic formic acid dehydration to surface-bound carbon monoxide at low potentials, followed by surface oxidation and desorption to carbon dioxide at high potentials.

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

PluginPlay: Enabling exascale scientific software one module at a time

For many computational chemistry packages, being able to efficiently and effectively scale across an exascale cluster is a heroic feat. Collective experience from the Department of Energy’s Exascale Computing Project suggests that achieving exascale performance requires far more planning, design, and optimization than scaling to petascale. In many cases, entire rewrites of software are necessary to address fundamental algorithmic bottlenecks. This in turn requires a tremendous amount of resources and development time, resources that cannot reasonably be afforded by every computational science project. It thus becomes imperative that computational science transition to a more sustainable paradigm. Key to such a paradigm is modular software. While the importance of modular software is widely recognized, what is perhaps not so widely appreciated is the effort still required to leverage modular software in a sustainable manner. The present manuscript introduces PluginPlay, https://github.com/NWChemEx-Project/PluginPlay, an inversion-of-control framework designed to facilitate developing, maintaining, and sustaining modular scientific software packages. Here this manuscript focuses on the design aspects of PluginPlay and how they specifically influence the performance of the resulting package. Although, PluginPlay serves as the framework for the NWChemEx package, PluginPlay is not tied to NWChemEx or even computational chemistry. We thus anticipate PluginPlay to prove to be a generally useful tool for a number of computational science packages looking to transition to the exascale.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Integration and validation of some modules for modelling of high-speed chemically reactive flows in two-phase gas-droplet mixtures

Three modules are integrated into the built-in OpenFOAM rhoCentralFoam solver towards accurate and efficient modelling of high-speed chemically reactive flows in two-phase gas-droplet mixtures within the OpenFOAM 10.0 framework. The first module is the mixture-averaged diffusion model. The second module is the built-in OpenFOAM Lagrangian solver coupled with optimised droplet drag coefficient and convective heat transfer coefficient sub-models. The last module is a sparse stiff chemistry solver based on dynamic adaptive hybrid integration (AHI-S). The optimised droplet sub-models are first verified in correct implementation for subsequent simulations in this work. Further, they show good accuracy against experimental and analytical data in the modelling of ammonia droplet acceleration and cooling in the flowing and/or low-temperature air. The accuracy and efficiency gains related to the mixture-averaged diffusion model and the AHI-S chemistry solver are examined by simulating 1-D detonation propagation in ammonia droplet-free/laden ammoniaoxygen mixtures. Numerical results of detonation propagation speed, gaseous temperature, density, and species distributions around the induction zone show good agreement with experimental data and analytical solutions. Compared to the built-in OpenFOAM diffusion model, the mixture-averaged diffusion model provides different numerical predictions of pulsating instabilities in detonation propagation. It shows better accuracy in depicting the detonation structure within the droplet-free section attributed to improved multi-component diffusion modelling. Compared to the built-in OpenFOAM solver EulerImplicit (backward Euler), the AHI-S chemistry solver reduces the computational cost by around 50%. It achieves satisfactory accuracy in calculating detonation propagation speed within the droplet-free section with the optimal efficiency when the safety factor, β, equals 0.5.

42 ENGINEERING↗
DOE OSTI2023

Fe-N 4 O-C Nanoplates Covalently Bonding on Graphene for Efficient CO 2 Electroreduction and Zn-CO 2 Batteries

Electrochemical carbon dioxide (CO 2 ) reduction into value-added products holds great promise in moving toward carbon neutrality but remains a grand challenge due to lack of efficient electrocatalysts. Herein, the nucleophilic substitution reaction is elaborately harnessed to synthesize carbon nanoplates with a Fe-N 4 O configuration anchored onto graphene substrate (Fe-N 4 O-C/Gr) through covalent linkages. Density functional theory calculations demonstrate the unique configuration of Fe-N 4 O with one oxygen (O) atom in the axial direction not only suppresses the competing hydrogen evolution reaction, but also facilitates the desorption of *CO intermediate compared with the commonly planar single-atomic Fe sites. The Fe-N 4 O-C/Gr shows excellent performance in the electroreduction of CO 2 into carbon monoxide (CO) with an impressive Faradaic efficiency of 98.3% at -0.7 V versus reversible hydrogen electrode (RHE) and a high turnover frequency of 3511 h -1 . Furthermore, as a cathode catalyst in an aqueous zinc (Zn)-CO 2 battery, the Fe-N 4 O-C/Gr achieves a high CO Faradaic efficiency (≈91%) at a discharge current density of 3 mA cm -2 and long-term stability over 74 h. Here this work opens up a new route to simultaneously modulate the geometric and electronic structure of single-atomic catalysts toward efficient CO 2 conversion.

25 ENERGY STORAGE↗
DOE OSTI2022

Multi-modular capacitive wireless power transfer circuit and related techniques

A high performance kilowatt-scale large air-gap multi-modular capacitive wireless power transfer (WPT) system is provided for electric vehicle (EV) charging. In one particular implementation, the multi-modular system achieves high power transfer while maintaining fringing electric fields within prescribed safety limits. The fringing fields are reduced using near-field phased-array field-focusing techniques, wherein the adjacent modules of the multi-modular system are out-phased with respect to one another. The inter-module interactions in this multi-modular system can be modeled, and an approach to eliminate these interactions in a practical EV charging environment is provided. To illustrate one example implementation, a prototype 1.2-kW 6.78-MHz 12-cm air-gap multi-modular capacitive WPT system comprising two 600-W modules is provided. This prototype system achieves 21.2 kW/m2 power transfer density and a peak efficiency of 89.8%. This multi-modular system also achieves a fringing field reduction of 50% compared to its individual modules.

Afridi, Khurram K.↗
DOE OSTI2023

Comparative Energetics of Various Membrane Distillation Configurations and Guidelines for Design and Operation

This paper presents a comparative performance study of single-stage desalination processes with major configurations of membrane distillation (MD) modules. MD modules covered in this study are (a) direct contact MD (DCMD), (b) vacuum MD (VMD), (c) sweeping gas MD (SGMD), and (d) air gap MD (AGMD). MD-based desalination processes are simulated with rigorous theoretical MD models supported by molecular thermodynamic property models for the accurate calculation of performance metrics. The performance metrics considered in MD systems are permeate flux and energy efficiency, i.e., gained output ratio (GOR). A general criterion is established to determine the critical length of these four MDs (at fixed width) for the feasible operation of desalination in a wide range of feed salinities. The length of DCMD and VMD is restricted by the feed salinity and permeate flux, respectively, while relatively large AGMD and SGMD are allowed. The sensitivity of GOR flux with respect to permeate conditions is investigated for different MD configurations. AGMD outperforms other configurations in terms of energy efficiency, while VMD reveals the highest permeate production. With larger MD modules, utilization of thermal energy supplied by the hot feed for evaporation is in the order of VMD > AGMD > SGMD > DCMD. Simulation results highlight that energy efficiency of the overall desalination process relies on the efficient recovery of spent for evaporation, suggesting potential improvement in energy efficiency for VMD-based desalination.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Toward Scalable Perovskite Solar Modules Using Blade Coating and Rapid Thermal Processing

Toward scalable manufacturing of perovskite solar panels, high-performance planar p–i–n perovskite solar cells (PVSCs) and modules have been demonstrated with blade coating and rapid thermal processing (RTP). The PVSCs made using RTP for less than 30 s have equivalent photovoltaic performance as devices fabricated from hot-plate annealing for 2 min. The resulting PVSCs show the best average power conversion efficiency (PCE) of over 18.47% from forward and reverse scans. Mini-modules with an active area of over 2.7 cm 2 exhibit a champion average PCE of over 17.73% without apparent hysteresis. To the best of our knowledge, these efficiencies are the highest for PVSCs processed by the combination of blade coating and RTP. Furthermore, both the blade coating and RTP were performed in an ambient environment, paving the way for the large-scale production of PVSCs through high-speed roll-to-roll printing.

14 SOLAR ENERGY↗
DOE OSTI2024

Toward Mass-Production of Transition Metal Dichalcogenide Solar Cells: Scalable Growth of Photovoltaic-Grade Multilayer WSe2 by Tungsten Selenization

Semiconducting transition metal dichalcogenides (TMDs) are promising for high-specific-power photovoltaics due to their desirable band gaps, high absorption coefficients, and ideally dangling-bond-free surfaces. Despite their potential, the majority of TMD solar cells to date are fabricated in a nonscalable fashion, with exfoliated materials, due to the lack of high-quality, large-area, multilayer TMDs. Here, we present the scalable, thickness-tunable synthesis of multilayer WSe2 films by selenizing prepatterned tungsten with either solid-source selenium at 900 degrees C or H2Se precursors at 650 degrees C. Both methods yield photovoltaic-grade, wafer-scale WSe2 films with a layered van der Waals structure and superior characteristics, including charge carrier lifetimes up to 144 ns, over 14x higher than those of any other large-area TMD films previously demonstrated. Simulations show that such carrier lifetimes correspond to ~22% power conversion efficiency and ~64 W g-1 specific power in a packaged solar cell, or ~3 W g-1 in a fully packaged solar module. The results of this study could facilitate the mass production of high-efficiency multilayer WSe2 solar cells at low cost.

carrier lifetime↗
DOE OSTI2020

Bovine adapted transmissible mink encephalopathy is similar to L-BSE after passage through sheep with the VRQ/VRQ genotype but not VRQ/ARQ

Background: Transmissible mink encephalopathy (TME) is a fatal neurologic disease of farmed mink. Evidence indicates that TME and L-BSE are similar and may be linked in some outbreaks of TME. We previously transmitted bovine adapted TME (bTME) to sheep. The present study compared ovine passaged bTME (o-bTME) to C-BSE and L-BSE in transgenic mice expressing wild type bovine prion protein (TgBovXV). To directly compare the transmission efficiency of all prion strains in this study, we considered the attack rates and mean incubation periods. Additional methods for strain comparison were utilized including lesion profiles, fibril stability, and western blotting. Results: Sheep donor genotype elicited variable disease phenotypes in bovinized mice. Inoculum derived from a sheep with the VRQ/VRQ genotype (o-bTME VV ) resulted in an attack rate, incubation period, western blot profile, and neuropathology most similar to bTME and L-BSE. Conversely, donor material from a sheep with the VRQ/ARQ genotype (o-bTME AV ) elicited a phenotype distinct from o-bTME VV , bTME and L-BSE. The TSE with the highest transmission efficiency in bovinized mice was L-BSE. The tendency to efficiently transmit to TgBovXV mice decreased in the order bTME, C-BSE, o-bTME VV , and o-bTME AV . The transmission efficiency of L-BSE was approximately 1.3 times higher than o-bTMEVV and 3.2 times higher than o-bTME AV . Conclusions: Our findings provide insight on how sheep host genotype modulates strain genesis and influences interspecies transmission characteristics. Given that the transmission efficiencies of L-BSE and bTME are higher than C-BSE, coupled with previous reports of L-BSE transmission to mice expressing the human prion protein, continued monitoring for atypical BSE is advisable in order to prevent occurrences of interspecies transmission that may affect humans or other species.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Metal Halide Perovskite Solar Module Encapsulation Using Polyolefin Elastomers: The Role of Morphology in Preventing Delamination

The development of perovskite solar cells (PSCs) has ushered in a new era of solar technology, characterized by its exceptional efficiency and cost-effective production. However, the soft and fragile nature of perovskites makes module encapsulation challenging. Polyolefin elastomers (POEs) have been reported to be promising encapsulants for perovskite modules. However, little research exists on identifying criteria among different types of POEs as encapsulants. Here, two POEs with different morphologies were compared as encapsulants. The first POE crystallizes during encapsulation (crystal content ∼40%), and the resulting shrinkage or warpage leads to delamination, causing minimodule failure. In contrast, perovskite minimodules encapsulated with a mostly amorphous POE exhibited better reliability and reproducibility. The best perovskite minimodules passed the thermal cycling test for 240 cycles between −40 and 85 °C and the damp heat test for 1419 h, according to the IEC 61215 standard. This study highlights the importance of the morphology of encapsulants in achieving high-quality encapsulation. Published by the American Physical Society 2024

14 SOLAR ENERGY↗
DOE OSTI2021

Large magnon-induced anomalous Nernst conductivity in single-crystal MnBi

Thermoelectric modules are a promising approach to energy harvesting and efficient cooling. In addition to the longitudinal Seebeck effect, transverse devices utilizing the anomalous Nernst effect (ANE) have recently attracted interest. For high conversion efficiency, it is required that the material have a large ANE thermoelectric power and low electrical resistance, which lead to the conductivity of the ANE. ANE is usually explained in terms of intrinsic contributions from Berry curvature. Our observations suggest that extrinsic contributions also matter. Studying single-crystal manganese-bismuth (MnBi), we find a high ANE thermopower (~10 μV/K) under 0.6 T at 80 K, and a transverse thermoelectric conductivity of over 40 A/Km. With insight from theoretical calculations, we attribute this large ANE predominantly to a new advective magnon contribution arising from magnon-electron spin-angular momentum transfer. We propose that introducing a large spin-orbit coupling into ferromagnetic materials may enhance the ANE through the extrinsic contribution of magnons.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Manipulation of the magnetic monopole injection for topological transition

Abstract Manipulating the topological properties of spin textures in magnetic materials is of great interest due to the rich physics and promising technological applications of these materials in advanced electronic devices. A spin texture with desired topological properties can be created by magnetic monopole injection, resulting in topological transitions involving changes in the topological charge. Therefore, controlling magnetic monopole injection has paramount importance for obtaining the desired spin textures but has not yet been reported. Here, we report the use of reliably manipulated magnetic monopole injection in the topological transition from stripe domains to skyrmions in an Fe/Gd multilayer. An easily tunable in-plane magnetic field applied to an Fe/Gd multilayer plays a key role in the magnetic monopole injection by modulating the local exchange energy. Our findings facilitate the efficient management of topological transitions by providing an important method for controlling magnetic monopole injection.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Accurate segmentation of localized corrosion in structural alloys via deep learning

This study presents a deep learning-based approach for the automated segmentation of corrosion damage in scanning electron microscopy (SEM) images. The proposed method enables rapid and accurate segmentation of corrosion features in these SEM images, making it highly suitable for real-time applications such as automated microscopy. Specifically, a dedicated corrosion segmentation database tailored for this task is constructed. The newly constructed dataset, alongside data from two public databases, are employed to jointly train a deep learning-based model modified with a texture refinement module. Compared to the same model without the texture refinement module, the refined model substantially enhances the efficacy and efficiency of corrosion segmentation. Furthermore, the methodology developed here is extendable to segmentation tasks for other materials with similar resolution, texture, and contrast characteristics, thereby paving the way for accelerated and automated analysis in corrosion science and beyond.

Artificial Intelligence↗