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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 1,675 records · Page 93
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Membrane Pretreatment and Cell Conditioning for Proton Exchange Membrane Water Electrolysis

As the research community studying proton exchange membrane water electrolysis (PEMWE) grows, it is important to develop methods that achieve transparent, reproducible research. Reproducibility of performance and durability is a challenge facing the PEMWE field, as the published literature includes a wide spread of results obtained with nominally similar materials. Prior round-robin performance benchmarking efforts [1] have identified inadequate cell conditioning as a major source of variation in apparent cell performance. Inadequate pre-treatment and conditioning can lead to instability in initial performance and adds ambiguity to durability measurements. However, excessively prolonged conditioning procedures limit the throughput of testing and the pace of research. Pretreatment and conditioning methods vary significantly across the research literature, but little systematic investigation is available into the mechanisms of these procedures or how procedural differences may impact results. This presentation will discuss investigations into the effects of membrane pre-treatment and operating procedures during cell conditioning on initial performance and catalyst-specific accelerated stress tests, with the aim of recommending procedures to enable clear, reproducible, and high-throughput research. Methods investigated include the use of hydrogen peroxide, acids, and hydration at elevated temperature for membrane pretreatment, and conditioning procedures such as current or voltage holds and cycling. The investigations cover both the impacts of these procedures on cell performance and stability as well as underlying mechanisms and processes taking place in the cell materials.

cell↗
DOE OSTI2024

Direct Recycling of End-of-Life Cathode Material Through Redox Chemistry Mediators

Lithium-ion batteries (LIBs) are ideal for electric vehicles and electronic devices because of their high-power density and outstanding cycle life. The need for recycled LIBs material is pivotal for the sustainability of the renewable energy industry. The recycling process needs to be both economically and environmentally conscious. Direct recycling is cheaper and generates the least amount of waste compared to pyrometallurgical and hydrometallurgical processes. Direct recycling explored in this work is useful for reclaiming precious minerals from the End-of-Life (EOL) LIBs material. The EOL material has varying lithium deficiency, hence, redox mediator relithiation restores the lithium content rapidly and at low cost. The redox mechanism relithiate EOL cathode material by shuttling charges very fast between lithium metal and EOL cathode material. The redox mediator is oxidized to create lithium rich solvent and reduced to relithiate EOL cathode material. However, the process is sensitive to pH changes. The redox reaction creates acidic solvent, which may cause lithium leaching. Therefore, use of lithium hydroxide (LiOH) to remove impurities on the surface of the EOL material and as a lithium source creates a basic solution to prevent lithium leaching and relithiate EOL material. This approach will potentially pave way for fast quality cathode material recovery at a low cost.

cathode material↗
DOE OSTI2024

Carbon-Binder Optimization for Lithium-Ion Battery Extreme Fast Charge

Battery performance is strongly correlated with electrode microstructure and weight loading of the electrode components. Among them are the carbon-black and binder additives that enhance effective conductivity and provide mechanical integrity. However, these both reduce effective ionic transport in the electrolyte phase and reduce energy density. Therefore, an optimal additive loading is required to maximize performance, especially for fast charging where ionic transport is essential. Such optimization analysis is however challenging due to the nanoscale imaging limitations that prevent characterizing this additive phase and thus quantifying its impact on performance. Herein, an additive-phase generation algorithm has been developed to remedy this limitation and identify percolation threshold used to define a minimal additive loading. Improved ionic transport coefficients from reducing additive loading has been then quantified through homogenization calculation, macroscale model fitting, and experimental symmetric cell measurement, with good agreement between the methods. Rate capability test demonstrates capacity improvement at fast charge at the beginning of life, from 37% to 55%, respectively for high and low additive loading during 6C CC charging, in agreement with macroscale model, and attributed to a combination of lower cathode impedance, reduced electrode tortuosity and cathode thickness.

carbon-binder additives↗
DOE OSTI2017

Phase Transitions and Magnetocaloric Properties in MnCo 1− x Zr x Ge Compounds

The structural, magnetic, and magnetocaloric properties of MnC o 1 - x Z r x Ge ( 0.01 ≤ x ≤ 0.04 ) have been studied through X-ray diffraction, differential scanning calorimetry, and magnetization measurements. Results indicate that the partial substitution of Zr for Co in MnC o 1 - x Z r x Ge decreases the martensitic transition temperature ( T M ). For x = 0.02, T M was found to coincide with the ferromagnetic transition temperature ( T C ) resulting in a first-order magnetostructural transition (MST). A further increase in zirconium concentration ( x = 0.04) showed a single transition at T C . The MST from the paramagnetic to ferromagnetic state results in magnetic entropy changes ( - Δ S M ) of 7.2 J/kgK for Δ H = 5 T at 274 K for x = 0.02. The corresponding value of the relative cooling power (RCP) was found to be 266 J/kg for Δ H = 5 T. The observed large value of MCE and RCP makes this system a promising material for magnetic cooling applications.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2012

Nanoscale Thin Film Electrolytes for Clean Energy Applications

Ceria and zirconia based systems can be used as electrolytes to develop solid oxide fuel cells for clean energy production and to prevent air pollution by developing efficient, reliable oxygen sensors. In this study, we have used oxygen plasma assisted molecular beam epitaxy (OPA-MBE) to grow samaria doped ceria (SDC), to understand the role of dopant concentration and geometry of the films towards the ionic conduction in these thin films. We have also discussed the Gd doped CeO2 (GDC) and Gd stabilized ZrO2 (GSZ) multi-layer thin films to investigate the effect of interfacial phenomena on the ionic conductivity of these hetero-structures. We found the optimum concentration to be 15 mol % SmO1.5, for achieving lowest electrical resistance in SDC thin films. The electrical resistance decreases with the increase in film thickness up to 200 nm. The results demonstrate the usefulness of this study towards establishing an optimum dopant concentration and choosing an appropriate thin film thickness to ameliorate the conductance of the SDC material system. Furthermore, we have explored the conductivity of highly oriented GDC and GSZ multi-layer thin films, wherein the conductivity increased with an increase in the number of layers. The extended defects and lattice strain near the interfaces increase the density of oxygen vacancies, which leads to enhanced ionic conductivity in multi-layer thin films.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2022

Spectroscopic Investigation of Catalyst Inks and Thin Films Toward the Development of Ionomer Quality Control

As the production of polymer electrolyte fuel cells expands, novel quality control methods must be invented or adapted in order to support expected rates of production. Ensuring the quality of deposited catalyst layers is an essential step in the fuel cell manufacturing process, as the efficiency of a fuel cell is reliant on the catalyst layer being uniform at both the target platinum loading and the target ionomer content. Implementing a quality control method that is sensitive to these aspects is imperative, as wasting precious metals and other catalyst materials is expensive, and represents a potential barrier to entry into the field for manufacturers experimenting with novel deposition processes. In this work, we analyzed catalyst inks to determine if their ionomer content could be quantized spectroscopically. Attenuated total reflection (ATR) Fourier transform infrared spectroscopic technique was investigated producing a signal proportional to the ionomer content. ATR spectroscopy was able to quantitatively differentiate samples in which the ionomer to carbon mass ratio (I/C) varied between 0.9 and 3.0. The I/C ratio was correlated to the measured ATR signal near the CF 2 vibrational bands located between 1100 cm −1 and 1400 cm −1 . The experimental results obtained constitute a step toward the development of novel quality control methodologies for catalyst inks utilized by the fuel cell industry.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2013

An experimental and modeling study investigating the ignition delay in a military diesel engine running hexadecane (cetane) fuel

In an effort aimed at predicting the combustion behavior of a new fuel in a conventional diesel engine, cetane (n-hexadecane) fuel was used in a military engine across the entire speed–load operating range. The ignition delay was characterized for this fuel at each operating condition. A chemical ignition delay was also predicted across the speed–load range using a detailed chemical kinetic mechanism with a constant pressure reactor model. At each operating condition, the measured in-cylinder pressure and predicted temperature at the start of injection were applied to the detailed n-hexadecane kinetic mechanism, and the chemical ignition delay was predicted without any kinetic mechanism calibration. The modeling results show that fuel–air parcels developed from the diesel spray with an equivalence ratio of 4 are the first to ignite. The chemical ignition delay results also showed decreasing igntion delays with increasing engine load and speed, just as the experimental data revealed. At lower engine speeds and loads, the kinetic modeling results show the characteristic two-stage negative temperature coefficient behavior of hydrocarbon fuels. However, at high engine speeds and loads, the reactions do not display negative temperature coefficient behavior, as the reactions proceed directly into high-temperature pathways due to higher temperatures and pressure at injection. A moderate difference between the total and chemical ignition delays was then characterized as a phyical delay period that scales inversely with engine speed. This physical delay time is representative of the diesel spray development time and is seen to become a minority fraction of the total igntion delay at higher engine speeds. In addition, the approach used in this study suggests that the ignition delay and thus start of combustion may be predicted with reasonable accuracy using kinetic modeling to determine the chemical igntion delay. Then, in conjunction with the physical delay time (experimental or modeling based), a new fuel’s acceptability in a conventional engine could be assessed by determining that the total ignition delay is not too short or too long.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2020

Computationally efficient evaluation of optimum homogeneous charge compression ignition operating range with accelerated multizone engine cycle simulation

The very intensive calculations necessary to define a performance map requiring evaluation of over a hundred individual operating points can be efficiently conducted with accelerated multizone for engine cycle simulation, leading to a definition of regions of acceptable and optimum homogeneous charge compression ignition operation. Accelerated multizone for engine cycle simulation has the virtue of enabling accurate evaluation of many operating conditions based on thermal stratification data from a single fluid mechanics run at motored conditions. This is possible because thermal stratification is more sensitive to engine geometry than to operating conditions. In this article, accuracy of accelerated multizone for engine cycle simulation is demonstrated by comparison with experimental data for iso-octane homogeneous charge compression ignition operation over a broad range of lean equivalence ratios (0.14–0.28). The validated accelerated multizone for engine cycle simulation model is then applied to generating a performance map for an engine controlled by appropriately adjusting equivalence ratio and internal exhaust gas recirculation. Regions of acceptable and optimum combustion are identified. It is finally demonstrated that while indicated mean effective pressure remains low for optimum homogeneous charge compression ignition operation (1–4 bar), this is sufficient for a large fraction of typical driving in light-duty vehicles. Much driving including idle can therefore be done in homogeneous charge compression ignition mode at high efficiency and low (essentially zero) NOx and particulate matter emissions.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2016

Estimating carbon sequestration in the piedmont ecoregion of the United States from 1971 to 2010

Human activities have diverse and profound impacts on ecosystem carbon cycles. The Piedmont ecoregion in the eastern United States has undergone significant land use and land cover change in the past few decades. The purpose of this study was to use newly available land use and land cover change data to quantify carbon changes within the ecoregion. Land use and land cover change data (60-m spatial resolution) derived from sequential remotely sensed Landsat imagery were used to generate 960-m resolution land cover change maps for the Piedmont ecoregion. These maps were used in the Integrated Biosphere Simulator (IBIS) to simulate ecosystem carbon stock and flux changes from 1971 to 2010. Results: Results show that land use change, especially urbanization and forest harvest had significant impacts on carbon sources and sinks. From 1971 to 2010, forest ecosystems sequestered 0.25 Mg C ha -1 yr -1 , while agricultural ecosystems sequestered 0.03 Mg C ha -1 yr -1 . The total ecosystem C stock increased from 2271 Tg C in 1971 to 2402 Tg C in 2010, with an annual average increase of 3.3 Tg C yr -1 . Conclusions: Terrestrial lands in the Piedmont ecoregion were estimated to be weak net carbon sink during the study period. The major factors contributing to the carbon sink were forest growth and afforestation; the major factors contributing to terrestrial emissions were human induced land cover change, especially urbanization and forest harvest. An additional amount of carbon continues to be stored in harvested wood products. If this pool were included the carbon sink would be stronger.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2016

The direct-current response of electrically conducting fractures excited by a grounded current source

Hydraulic fracture stimulation of low permeability reservoir rocks is an established and cross–cutting technology for enhancing hydrocarbon production in sedimentary formations and increasing heat exchange in crystalline geothermal systems. Whereas the primary measure of success is the ability to keep the newly generated fractures sufficiently open, long–term reservoir management requires a knowledge of the spatial extent, morphology, and distribution of the fractures — knowledge primarily informed by microseismic and ground deformation monitoring. To minimize the uncertainty associated with interpreting such data, we investigate through numerical simulation the usefulness of direct-current (DC) resistivity data for characterizing subsurface fractures with elevated electrical conductivity by considering a geophysical experiment consisting of a grounded current source deployed in a steel cased borehole. In doing so, the casing efficiently energizes the fractures with steady current. Finite element simulations of this experiment for a horizontal well intersecting a small set of vertical fractures indicate that the fractures manifest electrically in (at least) two ways: (1) a local perturbation in electric potential proximal to the fracture set, with limited farfield expression and (2) an overall reduction in the electric potential along the borehole casing due to enhanced current flow through the fractures into the surrounding formation. The change in casing potential results in a measurable effect that can be observed far from fractures themselves. Under these conditions, our results suggest that farfield, timelapse measurements of DC potentials can be interpreted by simple, linear inversion for a Coulomb charge distribution along the borehole path, including a local charge perturbation due to the fractures. As a result, this approach offers an inexpensive method for detecting and monitoring the time-evolution of electrically conducting fractures while ultimately providing an estimate of their effective conductivity — the latter providing an important measure independent of seismic methods on fracture shape, size, and hydraulic connectivity.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2021

Model America - data and models of every U.S. building

The 5-year goal of the 'Model America' concept was to generate a model of every building in the United States. This data repository delivers on that goal. Oak Ridge National Laboratory (ORNL) has developed the Automatic Building Energy Modeling (AutoBEM) software suite to process multiple types of data, extract building-specific descriptors, generate building energy models, and simulate them on High Performance Computing (HPC) resources. For more information, see AutoBEM-related publications (bit.ly/AutoBEM). There were 125,714,640 buildings detected in the United States and this dataset contains 122,930,327 (97.8%) buildings which resulted in a successful simulation. Future, annual updates have been proposed that may include additional buildings, data improvements, or other algorithmic enhancements. This dataset of 122.9 million buildings includes: Models (state_county.zip) - OpenStudio (v3.1.0) and EnergyPlus (v9.4) building energy models. Please note that the download requires the free Globus Connect Personal (https://www.globus.org/globus-connect-personal); Each model has approximately 3,000 building input descriptors that can be extracted. Please see the EnergyPlus(v9.4) 2,784-page Input/Output Reference Guide (https://energyplus.net/sites/all/modules/custom/nrel_custom/pdfs/pdfs_v9.4.0/InputOutputReference.pdf) for everything that can be retrieved or simulated from these models. These models were derived from the following metadata, which is not included in this dataset: 1. ID - unique building ID 2. County - county name 3. State - state name 4. CZ - ASHRAE Climate Zone designation 5. Clim_Zone - text label of climate zone 6. est_year - estimated year of construction 7. est_commercial - estimated building type (0=residential, 1=commercial) 8. Centroid - building center location in latitude/longitude (from Footprint2D) 9. Footprint2D - building polygon of 2D footprint (lat1/lon1_lat2/lon2_...) 10. Height - building height (meters) 11. Area2D - footprint area (ft2) 12. BuildingType - DOE prototype building designation (IECC=residential) as implemented by OpenStudio-standards 13. WWR_surfaces - percent of each facade (pair of points from Footprint2D) covered by fenestration/windows (average 14.5% for residential, 40% for commercial buildings) 14. NumFloors - number of floors (above-grade) 15. Area - estimate of total conditioned floor area (ft2) 16. Standard - building vintage. These models are made free and openly available in hopes of stimulating any simulation-informed use case. Data is provided as-is with no warranties, express or implied, regarding fitness for a particular purpose. We wish to thank our sponsors which include Oak Ridge National Laboratory (ORNL) Laboratory Directed Research and Development (LDRD), U.S. Dept. of Energy's (DOE) Building Technologies Office (BTO), Office of Electricity (OE), Biological and Environmental Research (BER), and National Nuclear Security Administration (NNSA). This research used resources of the Argonne Leadership Computing Facility, which is a DOE Office of Science User Facility supported under Contract DE-AC02-06CH11357. Please cite as: New, Joshua R., Adams, Mark, Bass, Brett, Berres, Anne, and Clinton, Nicholas (2021). 'Model America - data and models of every U.S. building. [Data set].' Constellation, doi.ccs.ornl.gov/ui/doi/339, April 14, 2021

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

Dual-Fuel Ammonia Equivalence Ratio Sweep Data

Ammonia (NH3) has garnered significant interest as an alternative fuel for meeting international emissions reduction mandates in sectors with high weight and distance requirements, such as shipping. Technical barriers and unanswered questions remain on the combustion strategies that can maximize ammonia utilization and minimize emissions. Prior research studies at the US Department of Energy’s Oak Ridge National Laboratory have shown strong performance with NH3 under dual-fuel mode using conventional diesel combustion (CDC) manifold air pressure settings. Diesel airflow was initially used to simplify retrofitting (no turbocharger modification), which resulted in air-fuel equivalence ratios (λ) greater than 1.5. To characterize potential improvements in dual-fuel NH3 combustion performance at richer in-cylinder conditions, a global λ sweep compared the use of early (E-pilot) and late (L-pilot) single diesel injections. The experiments were conducted at 1200 RPM and 12.8 ± 0.2 bar (75 % load), and λ was varied by decreasing the commanded air flow to the engine at greater than 90 % ammonia energy substitution level. A diesel injection timing sweep was conducted for both the injection strategies at fixed λ, and the timing with the lowest engine-out N2O emissions was identified. The results indicated an optimal balance between CO2,eq and thermal efficiency benefits both E-pilot and L-pilot injection strategy cases compared with CDC at a λ of 1.4. The indicated nitrogen-based emissions exhibited a strong correlation to the ratio of CA5–50 and ignition delay for L-pilot, but no apparent trend emerged for the E-pilot injection strategy at the tested boundary conditions. This dataset includes the raw experimental data and documentation of the experiment conditions and methods.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2012

Optimized Expression and Purification for High-Activity Preparations of Algal [FeFe]-Hydrogenase

Recombinant expression and purification of metallo-enzymes, including hydrogenases, at high-yields is challenging due to complex, and enzyme specific, post-translational maturation processes. Low fidelities of maturation result in preparations containing a significant fraction of inactive, apo-protein that are not suitable for biophysical or crystallographic studies. We describe the construction, overexpression and high-yield purification of a fusion protein consisting of the algal [2Fe2S]-ferredoxin PetF (Fd) and [FeFe]-hydrogenase HydA1. The maturation of Fd-HydA1 was optimized through improvements in culture conditions and media components used for expression. We also demonstrated that fusion of Fd to the N-terminus of HydA1, in comparison to the C-terminus, led to increased expression levels that were 4-fold higher. Together, these improvements led to enhanced HydA1 activity and improved yield after purification. The strong binding-affinity of Fd for DEAE allowed for two-step purification by ion exchange and StrepTactin affinity chromatography. In addition, the incorporation of a TEV protease site in the Fd-HydA1 linker allowed for the proteolytic removal of Fd after DEAE step, and purification of HydA1 alone by StrepTactin. In combination, this process resulted in HydA1 purification yields of 5 mg L{sup -1} of culture from E. coli with specific activities of 1000 U (U = 1 {micro}mol hydrogen evolved mg{sup -1} min{sup -1}). The [FeFe]-hydrogenases are highly efficient enzymes and their catalytic sites provide model structures for synthetic efforts to develop robust hydrogen activation catalysts. In order to characterize their structure-function properties in greater detail, and to use hydrogenases for biotechnological applications, reliable methods for rapid, high-yield expression and purification are required.

09 BIOMASS FUELS↗
DOE OSTI2012

Tetrahedral Palladium Nanocrystals: A New Support for Platinum Monolayer Electrocatalysts with High Activity and Stability in the Oxygen Reduction Reaction

The recent availability of tetrahedral palladium (PdTH) nanocrystals with cleaned surfaces allowed us to evaluate their facet-specific electrochemical properties as a new support of platinum monolayer (PtML) catalysts. The Pd–PtML core-shell electrocatalyst was examined by combining structural analyses and Density Functional Theory (DFT) with electrochemical techniques. The surfaces of the PdTH core are composed of (111) facets wherein the Pd atoms are highly coordinated and have low surface energy. Our results revealed that in comparison with sphere Pd (PdSP)-supported PtML or pure Pt, the PdTH-supported PtML features more surface contraction and a downshift of d-band relative to the Fermi level. These geometric- and electronic-effects determine the higher activity of PtML/PdTH/C for the oxygen reduction reaction (ORR) compared to that of PtML/PdSP/C. This shape-property interdependence illuminated new approaches to basic- and applied- research on Pt-based ORR electrocatalysts of significant importance to the widespread use of fuel cells.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2020

Atomic electron tomography in three and four dimensions

Atomic electron tomography (AET) has become a powerful tool for atomic-scale structural characterization in three and four dimensions. It provides the ability to correlate structures and properties of materials at the single-atom level. With recent advances in data acquisition methods, iterative three-dimensional (3D) reconstruction algorithms, and post-processing methods, AET can now determine 3D atomic coordinates and chemical species with sub-Angstrom precision, and reveal their atomic-scale time evolution during dynamical processes. In this work, we review the recent experimental and algorithmic developments of AET and highlight several groundbreaking experiments, which include pinpointing the 3D atom positions and chemical order/disorder in technologically relevant materials and capturing how atoms rearrange during early nucleation at four-dimensional atomic resolution.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2016

Connectivity-enhanced route selection and adaptive control for the Chevrolet Volt

The National Renewable Energy Laboratory and General Motors evaluated connectivity-enabled efficiency enhancements for the Chevrolet Volt. A high-level model was developed to predict vehicle fuel and electricity consumption based on driving characteristics and vehicle state inputs. These techniques were leveraged to optimize energy efficiency via green routing and intelligent control mode scheduling, which were evaluated using prospective driving routes between tens of thousands of real-world origin/destination pairs. The overall energy savings potential of green routing and intelligent mode scheduling was estimated at 5% and 3%, respectively. Furthermore, these represent substantial opportunities considering that they only require software adjustments to implement.

30 DIRECT ENERGY CONVERSION↗