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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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Halting Oxygen Evolution to Achieve Long Cycle Life in Sodium Layered Cathodes

Oxygen redox chemistries at high voltage have materialized as a revolutionary paradigm for cathodes with high-energy density; however, they are plagued by the challenges of labile oxygen loss and rapid degradations upon cycling, even after concerted endeavors from the research community. Here we propose a multi-concentration stratagem propelled by entropy reinforcement to enhance the electronic structure disorder (ESD) at high desodiation states for impeding undesired oxygen mobility and ensuring controlled oxygen activity, elucidated by density functional theory calculations. The increased disorder strengthens the reversible electrochemistry of lattice oxygen redox, leading to effectively suppressed P−O structural evolution and highly stable localized TMO 6 octahedral environments, as demonstrated by soft/hard X-ray absorption spectroscopy. Furthermore, through a comparative analysis of sodium-layered cathodes with different configuration entropy, we reveal that a high-entropy state induced by cationic disordering has the capacity to perturb cationic redox boundaries, significantly restraining the formation of detrimental O′3 phases. As a consequence, the high-voltage cycling stability has been greatly upgraded, up to 4.4 V versus Na + /Na, with an impressive 90.1 % capacity retention at 1 C over 100 cycles and 76.1 % capacity retention at 2 C over 300 cycles. In conclusion, the resilient oxygen redox, enabled through the control of ESD, broadens the horizons for entropy engineering and lays the foundation for advancements in high-energy, long-cycling, and safe batteries.

25 ENERGY STORAGE↗

Ignition Sensitivity and Electrical Conductivity of a Composite Energetic Material with Conductive Nanofillers

The safe handling of powdered composite energetic materials requires an understanding of their response to electrostatic ignition stimuli. A binary composite comprised of Al and polytetrafluoroethylene (PTFE) was tailored for ESD ignition sensitivity with varied concentrations of highly conductive nanofillers. The goal was to control the ESD ignition response of the Al+PTFE with small concentrations of nanofillers that may not significantly affect the overall combustion performance of the mixture. The nanofillers examined include carbon nanotubes (CNTs) and graphene nanoplatelets (GNPs). Adding CNTs created percolation at a lower volumetric percentage than GNPs and were found to be the controlling nanofiller, creating percolation for the mixture containing both CNTs and GNPs. Various mixing methods were examined. Ignition was achieved only for adding nanofillers at a volumetric percentage and mixing method that led to a bulk conductivity of approximately 5x10-3 ?S/cm.

36 MATERIALS SCIENCE↗

Controlling the Electrostatic Discharge Ignition Sensitivity of Composite Energetic Materials Using Carbon Nanotube Additives

Powder energetic materials are highly sensitive to electrostatic discharge (ESD) ignition. This study shows that small concentrations of carbon nanotubes (CNT) added to the highly reactive mixture of aluminum and copper oxide (Al + CuO) significantly reduces ESD ignition sensitivity. CNT act as a conduit for electric energy, bypassing energy buildup and desensitizing the mixture to ESD ignition. The lowest CNT concentration needed to desensitize ignition is 3.8 vol.% corresponding to percolation corresponding to an electrical conductivity of 0.04 S/cm. Conversely, added CNT increased Al + CuO thermal ignition sensitivity to a hot wire igniter.

36 MATERIALS SCIENCE↗

Adaptive building load control to enable high penetration of solar photovoltaic generation

This paper investigates the ability of a collection of deferrable heating, ventilation and air conditioning (HVAC) loads to directly emulate energy storage devices (ESD), that is, to absorb any low frequency fluctuations in solar generation. We find the optimal number of aggregated HVAC loads to absorb solar fluctuation in the same frequency band based on frequency analysis. To guarantee quality of service in afleet of residential buildings, an optimization problem is formed to compute optimal schedule of the HVAC loads considering temperature comfort band and available solar generation. By minimizing the tracking error between solar generation and total consumption, the proposed method also quantifies the minimum capacity of ESD (battery or fly-wheel) . The simulation results show that the proposed techniques are able to achieve good solar tracking performance as well as obtain a minimal ESD capacity. Therefore, we show that most of the renewable generation can be consumed locally through an intelligent coordination of HVAC loads, their impacts on the grid would be minimal and the required ESD capacity can be minimized.

Dong, Jin↗

Synthesizing aluminum particles towards controlling electrostatic discharge ignition sensitivity

Aluminum particles were synthesized with shell thicknesses ranging from 2.7 to 8.3 nm and a constant diameter of 95 nm. These fuel particles were combined with molybdenum trioxide particles and the electrostatic discharge (ESD) sensitivity of the mixture was measured. Results show ignition delay increased as the alumina shell thickness increased. These results correlated with electrical resistivity measurements of the mixture which increased with alumina concentration. A model was developed using COMSOL for ignition of a single Al particle. The ignition delay in the model was consistent with the experimental results suggesting that the primary ESD ignition mechanism is joule heating.

99 GENERAL AND MISCELLANEOUS↗

Reaction Kinetics of Water Molecules with Oxygen Vacancies on Rutile TiO 2 (110)

The formation of bridging hydroxyls (OHb) via reactions of water molecules with oxygen vacancies (VO) on reduced TiO 2 (110) surfaces is studied using infrared reflection-absorption spectroscopy (IRAS), electron-stimulated desorption (ESD), and photon-stimulated desorption (PSD). Narrow IRAS peaks at 2737 cm-1 and 3711 cm -1 are observed for stretching vibrations of OD b and OH b on TiO 2 (110), respectively. IRAS measurements with s- and p-polarized light demonstrate that the bridging hydroxyls are oriented normal to the (110) surface. The IR peaks disappear after the sample is exposed to O 2 or annealed in the temperature range of 400 – 600 K (correlating with the temperature at which pairs of OHb’s reform water and then desorb), which is consistent with their identification as bridging hydroxyls. We have studied the kinetics of water reacting with the vacancies by monitoring the formation of bridging hydroxyls (using IRAS) as a function of the annealing temperature for a small amount of water initially dosed on the TiO 2 (110) at low temperature. Separate experiments have also monitored the loss of water molecules (using water ESD) and vacancies (using the CO photooxidation reaction) due to the reactions of water molecules with the vacancies. All three techniques show that the reaction rate becomes appreciable for T > 150 K and that the reactions largely complete for T > 250 K. The temperature-dependent water-VO reaction kinetics are consistent with a Gaussian distribution of activation energies with E a = 0.545 eV, ΔE a (FWHM) = 0.125 eV, and a “normal” prefactor, v = 10 12 s -1 . In contrast, a single activation energy with a physically reasonable prefactor does not fit the data well. Our experimental activation energy is close to theoretical estimates for the diffusion of water molecules along the Ti 5c rows on the reduced TiO 2 (110) surface, which suggests that the diffusion of water controls the water – V O reaction rate.

74 ATOMIC AND MOLECULAR PHYSICS↗

SU-F-J-16: Planar KV Imaging Dose Reduction Study

Purpose: IGRT has become an indispensable tool in modern radiotherapy with kV imaging used in many departments due to superior image quality and lower dose when compared to MV imaging. Many departments use manufacturer supplied protocols for imaging which are not always optimised between image quality and radiation dose (ALARA). Methods: Whole body phantom PBU-50 (Kyoto Kagaku ltd., Japan) for imaging in radiology has been imaged on Varian iX accelerator (Varian Medical Systems, USA) with OBI 1.5 system. Manufacturer’s default protocols were adapted by modifying kV and mAs values when imaging different anatomical regions of the phantom (head, thorax, abdomen, pelvis, extremities). Images with different settings were independently reviewed by two persons and their suitability for IGRT set-up correction protocols were evaluated. The suitable images with the lowest mAs were then selected. The entrance surface dose (ESD) for manufacturer’s default protocols and modified protocols were measured with RTI Black Piranha (RTI Group, Sweden) and compared. Image quality was also measured with kVQC phantom (Standard Imaging, USA) for different protocols. The modified protocols have been applied for clinical work. Results: For most cases optimized protocols reduced the ESD on average by a factor of 3(range 0.9–8.5). Further reduction in ESD has been observed by applying bow-tie filter designed for CBCT. The largest reduction in dose (12.2 times) was observed for Thorax lateral protocol. The dose was slightly increased (by 10%) for large pelvis AP protocol. Conclusion: Manufacturer’s default IGRT protocols could be optimised to reduce the ESD to the patient without losing the necessary image quality for patient set-up correction. For patient set-up with planar kV imaging the bony anatomy is mostly used and optimization should focus on this aspect. Therefore, the current approach with anthropomorphic phantom is more advantageous in optimization over standard kV quality control phantoms and SNR metrics.

60 APPLIED LIFE SCIENCES↗