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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 811 records · Page 45
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Numerical simulation of vortex-induced vibration response of a single IEA 10-MW wind turbine blade

Three-dimensional simulation of vortex-induced vibration (VIV) of a single International Energy Agency (IEA) 10-MW reference wind turbine blade with a length of 97.325 m is performed using the ExaWind stack, an open-source suite of codes. This study aims to illustrate the spanwise VIV response characteristics and cross-validate the results with an existing commercial framework. Five near-body meshes and three time steps are selected for the convergence study. To improve computational efficiency, several VIV triggering methods are also compared to shorten the VIV development period. The ExaWind-based VIV simulation strategy for a single IEA 10-MW blade is determined. First, the modal shape is validated against published results. Then, spanwise VIV responses of four blade configurations under a fixed and varied incoming flow velocity are analyzed. Results show that the VIV response is dominated by the first edgewise (second overall) mode. Little first-mode contributions appear near the second-mode node, producing a pi phase jump, and a higher harmonics response occurs near the blade root. Rotational degrees of freedom are minor compared with translational motion. The response versus reduced velocity is analyzed, showing a two-branch behavior similar to that of VIV for a bluff cylinder. Across all tested cases, the dominant frequency remains locked to the natural frequency of the second mode with no observed desynchronization. A mild deviation is observed for the case of 90-degree pitch and 310-degree azimuth rotation near a reduced velocity of 6, which will be examined with additional cases in future work. These findings indicate that severe VIV responses can arise under specific configurations and flow conditions, thereby increasing the potential for VIV fatigue damage and requiring greater attention during operation.

17 WIND ENERGY↗
DOE OSTI2020

Evaluating three evapotranspiration estimates from model of different complexity over China using the ILAMB benchmarking system

The land surface models range in complexity of terrestrial evapotranspiration, yet it is unknown how model complexity translates to accuracy of modeled evapotranspiration estimates. Here, we use the International Land Model Benchmarking system to assess ET estimates from three models of varying complexity driven by the same forcing datasets: an earth system model, a terrestrial biosphere model, and a stand-alone ET model. The performance assessment includes both temporal and spatial evaluation, and different plant functional types across China. Our results indicate that the most complex model, an earth system model, performed best against the benchmarking datasets and metrics. Terrestrial biosphere model performed best in simulating inter-annual variability of ET, while earth system model performed best in simulating the seasonal cycle. The more complex models (earth system model and terrestrial biosphere model) perform better in forest, shrub and crop ecosystems, while the simpler model (stand-alone ET model) perform better in grass ecosystems. Our study demonstrates the impact of model complexity on ET estimates and highlights directions for future ET model improvements.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Three-dimensional mapping of mineral in intact shark centra with energy dispersive x-ray diffraction

The centra of shark vertebrae consist of cartilage mineralized by a bioapatite similar to bone's carbonated hy-droxyapatite, and, without a repair mechanism analogous to remodeling in bone, these structures still survive millions of cycles of high-strain loading. The main structures of the centrum are an hourglass-shaped double cone and the intermedialia which supports the cones. Little is known about the nanostructure of shark centra, spe-cifically the relationship between bioapatite and cartilage fibers, and this study uses energy dispersive diffraction (EDD) with polychromatic synchrotron x-radiation to study the spatial organization of the mineral phase and its crystallographic texture. The unique energy-sensitive detector array at beamline 6-BM-B, the Advanced Photon Source, enables EDD to quantify the texture within each sampling volume with one exposure while constructing 3D maps via specimen translation across the sampling volume. Herein this study maps a centrum from two shark orders, a carcharhiniform and a lamniform, with different intermedialia structures. In the blue shark (Prionace glauca, Carcharhiniformes), the bioapatite's c-axes are oriented laterally within the centrum's cone walls but axially within the wide wedges of the intermedialia; the former is interpreted to resist lateral deformation, the latter to support axial loads. In the shortfin mako (Isurus oxyrinchus, Lamniformes), there is some tendency for c-axis variation with position, but the situation is unclear because one dimension of the sampling volume is consid-erably larger than the thickness and spacing of the intermedialia's radially-oriented lamellae. Because elastic modulus in collagen plus bioapatite mineralized tissues varies significantly with both volume fraction of bio-apatite and crystallographic texture, the present 3D EDD-derived maps should inform future 3D numerical models of shark centra under applied load.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Guided skyrmion motion along pinning array interfaces

We examine ac driven skyrmions interacting with the interface between two different obstacle array structures. We consider drive amplitudes at which skyrmions in a bulk obstacle lattice undergo only localized motion and show that when an obstacle lattice interface is introduced, directed skyrmion transport can occur along the interface. The skyrmions can be guided by a straight interface and can also turn corners to follow the interface. For a square obstacle lattice embedded in a square pinning array with a different obstacle radius, we find that skyrmions can undergo transport in all four primary symmetry directions under the same fixed ac drive. We map where localized or translating motion occurs as a function of the ac driving parameters. Our results suggest a new method for controlling skyrmion motion based on transport along obstacle lattice interfaces.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Convergence of micro-geochemistry and micro-geomechanics towards understanding proppant shale rock interaction: A Caney shale case study in southern Oklahoma, USA

As a direct outcome of economic development coupled with an increase in population, global energy demand will continue to rise in the coming decades. Although renewable energy sources are increasingly investigated for optimal production, the immediate needs require focus on energy sources that are currently available and reliable, with a minimal environmental impact; the efficient exploration and production of unconventional hydrocarbon resources is bridging the energy needs and energy aspirations, during the current energy transition period. The main challenges are related to the accurate quantification of the critical rock properties that influence production, their heterogeneity and the multiscale driven physico-chemical nature of rock–fluid interactions. A key feature of shale reservoirs is their low permeability due to dominating nanoporosity of the clay-rich matrix. As a means of producing these reservoirs in a cost-effective manner, a prerequisite is creation of hydraulic fracture networks capable of the highest level of continued conductivity. Fracturing fluid chemical design, formation brine geochemical composition, and rock mineralogy all contribute to swelling-induced conductivity damage. The Caney Shale is an organic-rich, often calcareous mudrock. Many studies have examined the impact that clay has on different kinds of shale productivity but there is currently no data reported on the Caney Shale in relation to horizontal drilling; all reported data on the Caney Shale is on vertical wells which are shallow, compared to an emerging play that is at double the depth. Here, in this work we develop geochemical–geomechanical integration of rock properties at micro-and nanoscales that can provide insights into the potential proppant embedment and its mitigation. The novel methodology amalgamates the following: computed X-ray tomography, scanning electron microscopy, energy dispersive spectroscopy, micro-indentation, and Raman spectroscopy techniques. Here, our results show that due to the multiscale heterogeneity in the Caney Shale, these geochemical and structural properties translate into a variation in mechanical properties that will impact interaction between the proppant and the host shale rock.

03 NATURAL GAS↗
DOE OSTI2024

Hydrogen motion in near stoichiometric yttrium dihydride at elevated temperatures

The high-temperature motion of hydrogen in near stoichiometric yttrium dihydride (YH x , x = 1.62 and 1.87 at.%) was investigated using incoherent quasi-elastic neutron scattering and Density Functional Theory (DFT) calculations as a function of hydrogen stoichiometry. Translational motion (diffusivity) of hydrogen in yttrium dihydride was only observed in a temperature range of 1073–1173 K under vacuum environment. Here, the hydrogen motion was found to be limited to the tetrahedral sublattice, and diffusivity of hydrogen was observed to increase with decreasing hydrogen stoichiometry. The same behavior was also supported with DFT calculations. The DFT results also indicated that certain migration paths with smaller energy barriers favored H jump resulting in higher diffusivities.

08 HYDROGEN↗
DOE OSTI2022

Principles of the Battery Data Genome

Batteries are central to modern society. They are no longer just a convenience but a critical enabler of the transition to a resilient, low-carbon economy. Battery development capabilities are provided by communities spanning materials discovery, battery chemistry and electrochemistry, cell and pack design, scale-up, manufacturing, and deployments. Despite their relative maturity, data-science practices among these diverse groups are far behind the state of the art in other fields, which have demonstrated an ability to significantly improve innovation and economic impact. The negative consequences of the present paradigm include incremental improvements but few breakthroughs, significant manufacturing uncertainties, and cascading investment risks that collectively slow deployments. The primary roadblock to a battery-data-science renaissance is the requirement for large amounts of high-quality data, which are not available in the current fragmented ecosystem. Here, in this study, we identify gaps and propose principles that enable the solution by building a robust community of data hubs with standardized practices and flexible sharing options that will seed advanced tools spanning innovation to deployment. Precedents are offered that demonstrate that both public good and immense economic gains will arise from sharing valuable battery data. The proposed Battery Data Genome looks to broadly transform innovations and revolutionize their translation from research to societal impact.

25 ENERGY STORAGE↗
DOE OSTI2023

Reverse-Bias Resilience of Monolithic Perovskite/Silicon Tandem Solar Cells

Metal halide perovskites have rapidly enabled a range of high-performance photovoltaic technologies. However, catastrophic failure under reverse voltage bias poses a roadblock for their commercialization. In this work, we conduct a series of stress tests to compare the reverse-bias stability of perovskite single-junction, silicon single-junction, and monolithic perovskite/silicon tandem solar cells. We demonstrate that the tested perovskite/silicon tandem devices are considerably more resilient against reverse bias compared with perovskite single-junction devices. The origin of such improved stability stems from the low reverse-bias diode current of the silicon subcell. This translates to dropping most of the voltage over the silicon subcell, where such a favorable voltage distribution protects the perovskite subcell from reverse-bias-induced degradation. These results highlight that, compared with other perovskite technologies, monolithic perovskite/silicon tandems are at a higher technology readiness level in terms of tackling the reverse bias and partial shading challenges, which is a considerable advantage toward commercialization.

halide perovskite↗
DOE OSTI2025

Phase-stabilized 2D/3D hetero-bilayers via lattice matching for efficient and stable inverted solar cells

2D-on-3D (2D/3D) perovskite heterostructures with engineered energy landscapes offer the potential to realize efficient and stable inverted solar cells. However, managing the energy landscape using 2D perovskites with thicker inorganic layers n > 1 necessitates the usage of the chemically unstable methylammonium MA + . Here, we synthesized formamidinium (FA)-rich and pure-FA n = 3 Ruddlesden-Popper (RPP) and Dion-Jacobson perovskite (DJP) single crystals by identifying ligands with suitably lattice-matched organic and inorganic components of the 2D lattice. These crystals were translated onto 3D perovskites as capping layers, forming 2D/3D hetero-bilayers (HBs). Degradation studies revealed that HBs with butylammonium-based RPPs as capping layers rapidly phase segregate into non-perovskites under combined extrinsic stressors, compromising the underlying 3D layer, whereas FA-rich DJPs based on 3-aminomethylpiperidine retain their phase stability. The DJP HBs also possess a favorable energy landscape and electron transport at the 2D/3D interface, enabling inverted solar cells with a champion PCE of 25.33% and remarkable stability.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2021

Sugar transporters in grasses: Function and modulation in source and storage tissues

Carbohydrate partitioning, the process of transporting carbohydrates from photosynthetic (source) tissues, such as leaves, to non-photosynthetic (sink) tissues, such as stems, roots, and reproductive structures, is vital not only for the growth and development of plants but also for withstanding biotic and abiotic stress. In many plants, sucrose is the primary form of carbohydrate loaded into the phloem for long-distance transport and unloaded into the sink tissues for utilization or storage. Here, we highlight recent findings about 1) phloem loading in grasses, 2) the principal families of sugar transporters involved in sucrose transport, and 3) novel mechanisms by which the activities of sugar transporters are modulated. We discuss exciting discoveries from eudicot species that provide valuable insights regarding the regulation of these sugar transporters, which may be translatable to monocot species. As we better understand the intricate pathways that control the activities of various sugar transporters, we can utilize this knowledge for developing improved crop varieties.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Impact of secondary particle size and two-layer architectures on the high-rate performance of thick electrodes in lithium-ion battery pouch cells

Increasing lithium-ion battery gravimetric energy density to > 300 Wh/kg, while simultaneously meeting a cost target of $80/kWh, is of paramount importance to increasing the driving range and affordability of electric vehicles. One way to address this goal is to reduce inactive components by increasing electrode areal capacities, but conventional thick electrode designs typically perform poorly at high discharge rates due to Li + mass transport limitations. Here we compare the rate capability and cycle life of NMC 532/graphite pouch cells made with five different thick cathode and anode designs paired together in 25 combinations. We find that using different particle sizes to structure both the cathode and anode architectures in two-layer configurations results in a 2X capacity improvement over the worst-performing combination at high discharge rates (97 vs. 46 mAh/g at 2C). These different cathode/anode designs also translate to different cycle life performance, with many cells cycled at C/2 achieving ~80% capacity retention after 1000 cycles, and cells cycled at 2C showing different degrees of capacity fade. Altogether, these results demonstrate that simple, scalable changes in electrode design can significantly improve the performance of thick electrodes for high energy density batteries.

25 ENERGY STORAGE↗
DOE OSTI2022

The Effect of Cell Geometry and Trigger Method on the Risks Associated with Thermal Runaway of Lithium-Ion Batteries

Consideration of thermal runaway heat output variability is paramount for the development of safe lithium-ion battery assemblies. This study utilizes data gathered from fractional thermal runaway calorimetry (FTRC) experiments to conduct a comparative analysis of thermal runaway heat output for three cell formats (18650, 21700, and 33600) as a function of trigger method (heaters, internal short-circuiting device, and nail penetration). The analysis is based on comparisons for the calculated total energy yield, fractional energy yield, heat rate, and heat flux. This study reveals that nail penetration tends to result in higher thermal runaway heat output for larger cells (21700 & 33600); these experiments also tended to result in higher fractions of the total energy being released through the cell body. The smaller cells (18650) did not appear to have significant variation in heat output as a function of trigger method. This finding suggests that, for this cell type, worst-case scenario heat output could be achievable in assembly level testing regardless of the utilized trigger method. This study also demonstrates successful translation of FTRC results, as recorded in the Battery Failure Databank, into meaningful analysis that breaks down the influence of specific conditions on thermal runaway heat output.

calorimetry↗
DOE OSTI2023

Impact of fluorination on Li + solvation and dynamics in ionic liquid-hydrofluoroether locally concentrated electrolytes

The thermal, physical, structural, and transport properties of ionic liquid (IL) electrolytes based on n-methyl-n-butylpyrrolidinium bis(trifluoromethanesulfonyl)imide [PYR14][TFSI] and Li-salts of lithium (nonafluorobutane)(trifluoromethanesulfonyl)imide [Li][IM14] and [Li][TFSI] (0 ≤ x Li ≤ 0.3), with addition of 1,1,2,2-tetrafluoroethyl 2,2,3,3-tetrafluoropropyl ether (TTE) (0 ≤ x TTE ≤ 0.45) were studied. While [IM14] increases glass transition, TTE improves conductivity over a wider liquidus range. Li + is solvated primarily by [TFSI] with some contribution by [IM14]. However, both 7 Li- 19 F HOESY NMR and spatial distribution functions (SDFs) derived from molecular dynamics (MD) indicate short contacts between the fluorines of TTE and Li + . This is a result of tighter anion-solvated Li + without aggregation of the Li + solvates, consistent with Raman measurements, thus confirming the existence of fluorous domains in the bulk which leads to improved fluidity and a Li + diffusivity of 1.26 x 10 –12 m 2 /s at 0 °C (x Li = 0.20) with a Li + transference of 0.16. Improved transport properties translated to a higher capacity of the TTE/IL electrolyte in a Li||LiFePO 4 half-cell with 95mAh/g at 0.1C, compared to the IL electrolyte without TTE (60 mAh/g). Furthermore, this study demonstrates the tunability of solvation and transport properties in IL electrolytes by asymmetric fluorinated anions and hydrofluoroether co-solvents for low temperature Li-ion batteries.

25 ENERGY STORAGE↗
DOE OSTI2026

A technoeconomic analysis of poly- and single-crystalline NMCxyz from material synthesis to battery pack design

A process model was developed for estimating the cost of manufacturing lithium nickel manganese cobalt oxide (LiNi x Mn y Co z O 2 , NMCxyz), the main cathode active material in lithium-ion batteries used for electric vehicles in the United States. The model was used to estimate the prices of NMC622, NMC811, and NMC955 with poly- and single-crystalline morphologies. The Battery Performance and Cost Model (BatPaC) was used to translate the NMC prices into battery pack prices. A decrease in cobalt content from NMC622 (20% Co) to NMC955 (5% Ni) decreases the material price by $\$$0.85/kg (−3%) due to a decrease in the cost of battery materials, which account for >60% of the total price. NMC622 only produce cheaper packs if the nickel sulfate cost is > 4 × its baseline, indicating higher nickel materials will lower pack cost under normal market conditions. Single-crystalline materials are $\$$2/kg (+8%) more expensive than their polycrystalline counterparts due to higher manufacturing costs from longer, hotter calcinations in less densely packed saggars. This increases the pack price by ∼$\$$3/kWh, assuming identical electrochemical properties. In conclusion, the single-crystalline materials could yield cheaper packs if cycled to higher upper cutoff voltages (i.e., 4.35 to 4.43 V for the single-crystalline material vs. 4.25 V for their polycrystalline counterparts).

Cost modeling↗
DOE OSTI2022

High energy X-ray diffraction and small-angle scattering measurements of hydrogen fatigue damage in AISI 4130 steel

Accurate lifetime predictions are critical for repurposing existing pipelines for hydrogen transmission as well as for developing novel steels which are minimally susceptible to lifetime degradation by hydrogen. Ultimately, lifetime prediction models assess the amount of damage a material undergoes during a typical service cycle and the cumulative damage a material can withstand prior to failure. However, not all damage processes are equal, and neither is the manner in which mechanical loading translates to damage the same when materials are in inert environments compared to in hydrogen environments. For example, in the three leading proposed mechanisms of hydrogen embrittlement (Hydrogen-Enhanced Decohesion (HEDE), the Hydrogen-Enhanced Localized Plasticity (HELP), and the Nano-Void Coalescence (NVC)), hydrogen is proposed to enhance the manifestation of grain separation, dislocation generation/movement, and void coalescence, respectively. A full understanding of the damage modes requires a measurement capable of probing all three mechanisms at once. Here we present simultaneous High Energy X-ray Diffraction (HEXRD) and Small-Angle X-ray Scattering (SAXS) during fatiguing of steel in hydrogen. HEXRD measurements probe strain and dislocation density; SAXS measurements probe nano-pore generation and coalescence. We will discuss the differences in damage modes between steels fatigued in air and in hydrogen and the role these difference play in lifetime predictions.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Automated phase segmentation and quantification of high-resolution TEM image for alloy design

In the alloy design and development process, a wealth of atomically resolved structural high-resolution transmission electron microscopy (HRTEM) images are produced. Identifying the different nano-precipitate phases and tracking their evolution under various compositions and during manufacturing or post-processing requires hundreds of HRTEM images and thousands of precipitates. The nanoscopic phase information labeling and analysis purely relies on humans are prohibitively costly and time-consuming, sometimes not reliable because of the lack of authoritative knowledge. Here, in this work, we develop a novel unsupervised machine learning approach coupled with adaptive computer vision techniques with features in the Fourier space to automatically determine the number of phases and segment/quantify the phases with nanoscale resolution, allowing for quantitative correlation between nanostructure formation, processing and functional properties. To automate the phase extraction/quantification and ascertain its applicability, we have applied the developed framework to the HRTEM images from several alloy systems, processing conditions, image magnifications, and phase types and morphologies (precipitates, nano-twins, stacking faults, crystalline matrix, and amorphous structures) for verification. This study paves the road for compression, visualization, and translation of raw image structural data into physically relevant information in real-time with minimal human supervision. It shows the promise of enabling high-throughput materials characterization for the acceleration of alloy manufacturing and design.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Closed-loop control of meltpool temperature in directed energy deposition

The objective of this work is to mitigate flaw formation in powder and laser-based directed energy deposition (DED) additive manufacturing process through close-loop control of the meltpool temperature. In this work, the meltpool temperature was controlled by modulating the laser power based on feedback signals from a coaxial two-wavelength imaging pyrometer. The utility of closed-loop control in DED is demonstrated in the context of practically inspired trapezoid-shaped stainlesssteel parts (SS 316L). We demonstrate that parts built under closed-loop control have reduced variation in porosity and uniform microstructure compared to parts built under open-loop conditions. For example, post-process characterization showed that closed-loop processed parts had a volume percent porosity ranging from 0.036% to 0.043%. In comparison, open-loop processed parts had a larger variation in volume percent porosity ranging from 0.032% to 0.068%. Further, parts built with closed-loop processing depicted consistent dendritic microstructure. By contrast, parts built with open-loop processing showed microstructure heterogeneity with the presence of both dendritic and planar grains, which in turn translated to large variation in microhardness

36 MATERIALS SCIENCE↗