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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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Reversible Electrochemical Lithium Cycling in a Vanadium(IV)- and Niobium(V)-Based Wadsley–Roth Phase
Fast charging remains one of the greatest safety challenges in Li-ion batteries due to Li-dendrite growth occurring on graphite anodes if they are lithiated too quickly. The search for high-rate anodes has highlighted materials in the Wadsley–Roth (WR) shear phase family. The relative abundance of V compared with traditional WR compositions of Nb and W makes V-based phases attractive. However, the high voltage and poor reversibility typically associated with V redox have made V-rich WR phases less studied than Nb- and W-rich phases. Here, we show that a new V-rich Wadsley–Roth phase, V 7 Nb 6 O 29 , achieves excellent rate capability and 80% capacity retention after 228 cycles with a relatively low average voltage of 1.76 V vs Li/Li + compared with other V-rich WR phases. Single-crystal X-ray diffraction reveals a P4/m space group with repeating 2 × 2 × ∞ and 3 × 3 × ∞ blocks of V 4+ and Nb 5+ octahedra. Finally, combined neutron pair distribution function analysis, X-ray absorption spectroscopy, and density functional theory calculations show that V redox is the primary source of capacity and that cycling stability is provided by the stable octahedral coordination adopted by V 4+ in the material.
Considerations for Domestication of Novel Strains of Filamentous Fungi
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Maximizing Solar and Transportation Synergies
This report considers the technological and market pathways that will enable better use of photovoltaic (PV) electricity as fuel for future transportation demand. Most of the pathways identified will require collaborative research and development (R&D) efforts to improve the capabilities of multiple technologies, including PV, energy storage, vehicles, electrolyzers, electrofuels, and infrastructure. For plug-in electric vehicles (PEVs), technologies that enable wide-scale managed and coordinated charging are among the highest priorities for continued research, development, and deployment in the near term. Furthermore, managed and coordinated charging capabilities are foundational for future vehicle-to-grid (V2G) functionality in the long term. For hydrogen fuel cell electric vehicles (FCEVs), the use of PV electricity for electrolysis provides an opportunity to increase PV deployment. For rail, air, and maritime transportation, the feasibility of increased PV use varies in the near term; opportunities for synergies with solar include the electrification of rail, increased reliability from airport microgrids, and switching from heavy fuel oil to clean maritime electrofuels made from PV-based hydrogen. Over the longer term, battery swap stations for electric airplanes and the co-location of solar with hydrogen fueling stations at shipping ports may enable greater synergies between PV and transportation.
Search for an anomalous excess of inclusive charged-current ν e interactions in the MicroBooNE experiment using Wire-Cell reconstruction
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Polysulfide-Permanganate Flow Battery Using Abundant Active Materials
A new flow battery is presented using the abundant and inexpensive active material pairs permanganate/manganate and disulfide/tetrasulfide. A wetted material set is identified for compatibility with the strongly oxidizing manganese couple at ambient and elevated temperatures. Both solutions allow high active material solubility, with cells tested at theoretical energy densities up to 43 Wh l −1 for the ∼1.2 V cell. Full cells built with nickel foam electrodes and sodium-exchanged Nafion 115 membranes deliver a baseline area-specific resistance of 2.7 Ω-cm 2 . Incorporation of high-surface-area cobalt-coated carbon paper and high-surface-area stainless steel mesh electrodes, and an expanded Nafion 115 membrane delivers cells with 44% lower resistance at 1.6 Ω-cm 2 . All cells show performance decay over the course of cycling. The Co-decorated carbon paper electrodes provide significant kinetic improvements, shifting electrode performance from non-linear with Ni-foam to linear with a volume-normalized exchange current density value of 3.2 A cm −3 . The expanded membrane provides increased conductivity over the 13 mS cm −1 conductivity observed in as-received, sodium-exchanged Nafion 115. Although boiled membranes provide improved conductivity, it is at the cost of decreased Coulombic efficiency and poorer manufacturability. Full cell models suggest that similar cell resistances (1.7 Ω-cm 2 ) should be feasible with as-received Nafion 115 and advanced electrodes.
Modeling of a chain of three plasma accelerator stages with the WarpX electromagnetic PIC code on GPUs
The fully electromagnetic particle-in-cell code WarpX is being developed by a team of the U.S. DOE Exascale Computing Project (with additional non-U.S. collaborators on part of the code) to enable the modeling of chains of tens to hundreds of plasma accelerator stages on exascale supercomputers, for future collider designs. The code is combining the latest algorithmic advances (e.g., Lorentz boosted frame and pseudo-spectral Maxwell solvers) with mesh refinement and runs on the latest computer processing unit and graphical processing unit (GPU) architectures. In this paper, we summarize the strategy that was adopted to port WarpX to GPUs, report on the weak parallel scaling of the pseudo-spectral electromagnetic solver, and then present solutions for decreasing the time spent in data exchanges from guard regions between subdomains. In Sec. IV, we demonstrate the simulations of a chain of three consecutive multi-GeV laser-driven plasma accelerator stages.
Cross-Beam Energy Transfer Saturation by Ion Heating
Cross-beam energy transfer (CBET) saturation by ion heating was measured in a gas-jet plasma characterized using Thomson scattering. Here, a wavelength-tunable ultraviolet (UV) probe laser beam was interacted with four intense UV pump beams to drive large-amplitude ion-acoustic waves. For the highest-intensity interactions, the power transferred to the probe laser dropped, demonstrating ion-acoustic wave saturation. Over this time, the ion temperature was measured to increase by a factor of 7 during the 500-ps interaction. Particle-in-cell simulations show ion trapping and a subsequent ion heating consistent with measurements. Linear kinetic CBET models were found to agree well with the observed energy transfer when the measured plasma conditions were used.
An Efficient Electrochemical Tanks-in-Series Model for Lithium Sulfur Batteries
This article applies and efficiently implements the Tanks-in-Series methodology ( J. Electrochem. Soc. , 167 , 013534 (2020)) to generate a computationally efficient electrochemical model for Lithium-Sulfur batteries. The original Tank model approach for Lithium-ion batteries is modified to account for porosity changes with time. In addition, an exponential scaling method is introduced that enables efficient simulation of the model equations to address the wide range of time constants present for different reactions in the Lithium-Sulfur system. The Tank Model achieves acceptable voltage error even for transport-limited discharged conditions. Predictions of internal electrochemical variables are examined, and electrochemical implications of the approximations discussed. This suggests significant potential for real-time applications such as optimal charging, cell-balancing, and estimation, and represents a step forward in efforts to incorporate detailed electrochemical models in advanced Battery Management Systems for Lithium-Sulfur batteries.
Proton and electron RLA optics design
We describe optics designs of the key components of proton and electron Recirculating Linear Accelerators (RLAs). They are presented in the context of a high-power hadron accelerator being considered at ORNL and a CEBAF electron energy doubling study, FFA@CEBAF, being developed at Jefferson Lab. Both concepts rely on the Fixed-Field Alternating gradient (FFA) arc optics designs where multiple beam passes are transported by a single beam line. Some of the main challenges of the optics design are in synchronization and orbital and linear optics match of the individual passes with the linac straight. To minimize the complexity of the matching sections and make them more practical, it is preferable to complete as much of the orbital and optical match as possible within a single beam line using the FFA approach. The adiabatic matching technique proposed earlier is one such solution, but it requires a large number of cells. We present a much shorter matching section design based on another approach. A compact dog-leg-type section of several bending dipoles and quadrupoles is used to suppress the orbital offset and dispersion coming out of a periodic cell. Additional quadrupoles are used in the section to keep the beta functions under control and simplify their subsequent match to the linac. Initial beam tracking results are presented.
Materials for controlling the epitaxial growth of photoactive layers in photovoltaic devices
There is disclosed ultrathin film material templating layers that force the morphology of subsequently grown electrically active thin films have been found to increase the performance of small molecule organic photovoltaic (OPV) cells. There is disclosed electron-transporting material, such as hexaazatriphenylene-hexacarbonitrile (HAT-CN) can be used as a templating material that forces donor materials, such as copper phthalocyanine (CuPc) to assume a vertical-standing morphology when deposited onto its surface on an electrode, such as an indium tin oxide (ITO) electrode. It has been shown that for a device with HAT-CN as the templating buffer layer, the fill factor and short circuit current of CuPc:C60 OPVs were both improved compared with cells lacking the HAT-CN template. This is explained by the reduction of the series resistance due to the improved crystallinity of CuPc grown onto the ITO surface.
Lasergate: A windowless gas target for enhanced laser preheat in magnetized liner inertial fusion
At the Z Facility at Sandia National Laboratories, the magnetized liner inertial fusion (MagLIF) program aims to study the inertial confinement fusion in deuterium-filled gas cells by implementing a three-step process on the fuel: premagnetization, laser preheat, and Z-pinch compression. In the laser preheat stage, the Z-Beamlet laser focuses through a thin polyimide window to enter the gas cell and heat the fusion fuel. However, it is known that the presence of the few μm thick window reduces the amount of laser energy that enters the gas and causes window material to mix into the fuel. These effects are detrimental to achieving fusion; therefore, a windowless target is desired. The Lasergate concept is designed to accomplish this by “cutting” the window and allowing the interior gas pressure to push the window material out of the beam path just before the heating laser arrives. In this work, we present the proof-of-principle experiments to evaluate a laser-cutting approach to Lasergate and explore the subsequent window and gas dynamics. Further, an experimental comparison of gas preheat with and without Lasergate gives clear indications of an energy deposition advantage using the Lasergate concept, as well as other observed and hypothesized benefits. While Lasergate was conceived with MagLIF in mind, the method is applicable to any laser or diagnostic application requiring direct line of sight to the interior of gas cell targets.
Unraveling the Dissolution-Mediated Reaction Mechanism of α-MnO 2 Cathodes for Aqueous Zn-Ion Batteries
Aqueous Zn/α-MnO 2 batteries have attracted immense interest owing to their high energy density, low cost, and safety, making them desirable for future large-scale energy application. Despite these merits, the comprehensive understanding of their reaction mechanism has been elusive due to the limitations of standard bulk characterization. Here, via transmission electron microscopy, the dissolution-mediated reaction mechanism of a Zn/α-MnO 2 system is discovered and explored in full scope to involve reversible formation of Zn 4 SO 4 (OH) 6 · x H 2 O and “birnessite-like” Zn-MnO x phase upon cycling. Overall, α-MnO 2 acts primarily as a source for cell activation through dissolution and thus is not directly involved in the Zn redox chemistry. Overall, this microscopic study offers a unique knowledge on the unconventional reaction chemistry of Zn/α-MnO 2 batteries.
Powertrain Performance and Total Cost of Ownership Analysis for Class 8 Yard Tractors and Refuse Trucks
Advanced powertrain technologies, specifically fuel cell electric powertrains, have gained attention as viable alternatives for medium- and heavy-duty (M/HD) vehicles. However, it is unclear how these alternative powertrain vehicles stack up against their diesel counterparts in terms of performance and total cost of ownership (TCO). Furthermore, there are vehicle segments within the M/HD sector that have remained unstudied for fuel cell electric applications. This analysis aims to provide a comparative scoping-level TCO and performance analysis for two heavy-duty vocation vehicles (Class 8 U.S. port-side yard tractor and Class 8 U.S.-based refuse truck) for both conventional diesel and heavy-duty fuel cell electric (HDFC) powertrains. The refuse truck analysis also considered compressed natural gas powertrains (CNG) for comparison. The analysis includes seven timeframes (2020, 2025, 2030, 2035, 2040, 2045, and 2050) for comparison. This simplified TCO analysis includes only direct costs (fuel price, glider purchase price, and operating & maintenance costs) and excludes any associated indirect cost (e.g., dwell time costs and other opportunity based costs). Representative drive cycles for each vehicle were based on on-board GPS logged data and chosen by the analysis team to represent average, non-extreme driving conditions. At the time the analysis was performed, the Inflation Reduction Act was not in effect and therefore any potential subsidies and future cost reductions enacted under the Inflation Reduction Act were not included. Based on the operational setpoints used in this analysis, HDFC powertrains for both yard tractors and refuse trucks have the potential to achieve TCO advantages over conventional diesel powertrains (and CNG for refuse truck applications) in the near- to mid-term future while meeting the necessary duty cycle performance requirements. Yard tractors and refuse trucks spend a significant amount of time operating at low speeds, with long durations of idling, and experience numerous start/stop occurrences. These operational characteristics favor fuel cell performance as fuel cells operate with higher efficiencies at lower percentages of total power output. Conversely, conventional diesel and CNG engines are most efficient at higher percentages of total power output. This helps HDFC powered yard tractors and refuse trucks realize improved fuel economy when compared to their diesel counterparts, which helps reduce total fuel costs and therefore, total TCO. The analysis demonstrates that fuel prices play a significant role in determining TCO for each vehicle and should remain an R&D focus area. Overall, under the analysis' specified conditions, HDFC yard tractors have the potential to achieve cost parity with diesel yard tractors as early as 2025. For refuse trucks, HDFC refuse trucks have the potential to achieve cost parity with diesel and CNG refuse trucks in 2030 and 2040, respectively.
Characterisation of a laser plasma betatron source for high resolution x-ray imaging
Abstract We report on the characterisation of an x-ray source, generated by a laser-driven plasma wakefield accelerator. The spectrum of the optimised source was consistent with an on-axis synchrotron spectrum with a critical energy of 13.8 − 1.9 + 2.2 keV and the number of photons per pulse generated above 1 keV was calculated to be 6 − 0.9 + 1.2 × 10 9 . The x-ray beam was used to image a resolution grid placed 37 cm from the source, which gave a measured spatial resolution of 4 µ m × 5 µ m. The inferred emission region had a radius and length of 0.5 ± 0.2 µ m and 3.2 ± 0.9 mm respectively. It was also observed that laser damage to the exit aperture of the gas cell led to a reduction in the accelerated electron beam charge and a corresponding reduction in x-ray flux due to the change in the plasma density profile.
The PRad windowless gas flow target
In this work, we report on a windowless, high-density, gas flow target at Jefferson Lab that was used to measure $r_p$, the root-mean-square charge radius of the proton. To our knowledge, this is the first such system used in a fixed-target experiment at a (non-storage ring) electron accelerator. The target achieved its design goal of an areal density of 2$\times$10$^{18}$ atoms/cm$^2$, with the gas uniformly distributed over the 4 cm length of the cell and less than 1% residual gas outside the cell. This design eliminated scattering from the end caps of the target cell, a problem endemic to previous measurements of the proton charge radius in electron scattering experiments, and permitted a precise, model-independent extraction of $r_p$ by reaching unprecedentedly low values of $Q^2$, the square of the electron's transfer of four-momentum to the proton.
Cobalt-stabilized lithium metal oxide electrodes for lithium batteries
An electrode material comprising a composite lithium metal oxide, which in an initial state has the formula: y[xLi2MO3.(1−x)LiM′O2].(1−y)Li1+dMn2−z−dM″zO4; wherein 0≤x≤1; 0.75≤y<1; 0<z≤2; 0≤d≤0.2; and z−d≤2. M comprises one or more metal ions that together have an average oxidation state of +4; M′ comprises one or more metal ions that together have an average oxidation state of +3; and M″ comprises one or more metal ions that together with the Mn and any excess proportion of lithium, “d”, have a combined average oxidation state between +3.5 and +4. The Li1+dMn2−z−dM″zO4 component comprises a spinel structure, each of the Li2MO3 and the LiM′O2 components comprise layered structures, and at least one of M, M′, and M″ comprises Co. Cells and batteries comprising the electrode material also are described.
Single Shot Characterization of High Transformer Ratio Wakefields in Nonlinear Plasma Acceleration
We report that plasma wakefields can enable very high accelerating gradients for frontier high energy particle accelerators, in excess of 10 GeV/m. To overcome limits on single stage acceleration, specially shaped drive beams can be used in both linear and nonlinear plasma wakefield accelerators (PWFA), to increase the transformer ratio, implying that the drive beam deceleration is minimized relative to acceleration obtained in the wake. In this Letter, we report the results of a nonlinear PWFA, high transformer ratio experiment using high-charge, longitudinally asymmetric drive beams in a plasma cell. An emittance exchange process is used to generate variable drive current profiles, in conjunction with a long (multiple plasma wavelength) witness beam. The witness beam is energy modulated by the wakefield, yielding a response that contains detailed spectral information in a single-shot measurement. Using these methods, we generate a variety of beam profiles and characterize the wakefields, directly observing transformer ratios up to R=7.8. Lastly, a spectrally based reconstruction technique, validated by 3D particle-in-cell simulations, is introduced to obtain the drive beam current profile from the decelerating wake data.