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At least 19 records

Energetic compound embodiments and methods of making and using the same

Disclosed herein are embodiments of an energetic compound and methods of making and using the same. Energetic compound embodiments disclosed herein exhibit physical and chemical properties that facilitate their use in various applications, such as high energy propellant plasticizers, melt-castable explosives, and the like. Efficient and safe method embodiments for making the disclosed energetic compound embodiments are described herein.

Chavez, David↗

Fabrication, oxidation, and combustion of nanoscale magnesium diboride and tetraboride

The difficult ignition of boron decreases the combustion efficiency of boron-loaded, fuel-rich propellants. One approach to solving this problem involves the use of magnesium diboride (MgB2), which ignites easier than boron. Magnesium tetraboride (MgB4) offers greater energy density owing to its higher boron content. However, the effect of B/Mg ratio on the ignition and combustion is unknown. Additionally, while nanoscale MgB₂ particles and quasi-2D structures were recently recognized as promising energetic additives, the oxidation and combustion properties of nanoscale MgB₄ have not been explored. The objectives of the present work included synthesis, purification, and high-energy ball milling of MgB2 and MgB4 powders as well as investigation of their thermal decomposition, oxidation, and combustion. The MgB2 and MgB4 powders were fabricated by combustion synthesis in the chemical oven mode and by heating Mg/B mixtures in a tube furnace. The latter method was superior in the synthesis of MgB4. Oxide impurities in the synthesized powders were removed by acid leaching. Nanoscale powders were obtained by high-energy ball milling. Thermal decomposition and oxidation of the obtained MgB₂ and MgB₄ powders were investigated by conducting non-isothermal thermogravimetric analysis (TGA) at temperatures up to 1550 °C in argon and oxygen flows. Combustion of B, MgB₂, and MgB₄ powders with oxygen at atmospheric pressure was studied in a windowed chamber using laser ignition and high-speed video recording. The TGA has shown multi-step decomposition of both magnesium borides in an argon environment. The maximum oxidation rate of MgB4 in oxygen was observed at a much lower temperature than in the case of MgB2. In the combustion experiments, both magnesium borides burned much faster than submicron boron. Ball milling of the borides further increased their burning rates. It has been concluded that nanoscale magnesium tetraboride is a promising ingredient for fuel-rich propellants owing to its high energy density, efficient oxidation, and rapid combustion.

Molina, Andre [The University of Texas at El Paso]↗

Particle Theory and Cosmology

This project covered theoretical studies in particle physics, particle astrophysics and cosmology, aiming to bridge theoretical models with observable phenomena. The central focus was on exploring innovative mechanisms that could simultaneously address several outstanding puzzles in these areas, including the nature of dark matter, the muon g-2 anomaly, the existence of topologically stable monopoles, the generation of observable gravitational waves from early universe phenomena and high energy cosmic rays. One of the major achievements of this project was the development of models that predict new physics accessible through current and forthcoming experimental setups, both in particle colliders and astrophysical observations. These models have been instrumental in proposing verifiable predictions concerning supersymmetric extensions, the dynamics of cosmic strings and monopoles, and the intricate processes underpinning baryogenesis and reheating post-inflation. In tackling the dark matter conundrum, the project proposed several candidates within extended frameworks, such as light Z' models, pseudo-Goldstone dark matter, and scenarios integrating dark matter with inflationary cosmology. Each model outlined pathways for detection through direct, indirect, and collider search strategies, marking significant strides in the hunt for dark matter. Another cornerstone of the project was the in-depth analysis of inflationary models compliant with the Trans-Planckian Censorship Conjecture, highlighting the compatibility of axion dark matter within such frameworks. This not only provided a coherent picture of early universe cosmology but also delineated clear experimental signatures. The exploration of grand unified theories yielded insights into the potential discovery of monopoles and novel particle configurations at energy scales accessible to current and future colliders. This endeavor expanded the predictive power of these theories, particularly in the context of proton decay and the properties of Higgs-portal dark matter. Throughout the project, significant emphasis was placed on ensuring the theoretical developments were grounded in experimental testability. This led to a series of publications across prestigious journals, each contributing to the vibrant discourse at the intersection of particle physics and cosmology. In summary, this project has elucidated pathways beyond the Standard Model that are ripe for exploration through both ongoing and upcoming experimental efforts. The comprehensive approach adopted herein not only enhances our understanding of the fundamental forces and constituents of the universe but also propels the field towards new frontiers in high-energy physics and cosmology.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

In–Depth Analysis of the Degradation Mechanisms of High–Nickel, Low/No–Cobalt Layered Oxide Cathodes for Lithium–Ion Batteries

A rational compositional design of high-nickel, cobalt-free layered oxide materials for high-energy and low-cost lithium-ion batteries would be expected to further propel the widespread adoption of electric vehicles (EVs), yet a composition with satisfactory electrochemical properties has yet to emerge. The previous work has demonstrated a promising LiNi 0.883 Mn 0.056 Al 0.061 O 2 (NMA-89) composition that outperformed high-nickel, cobalt-containing analogs in cycling stability and maintained a comparable rate performance and thermal stability. Herein, the capacity fading mechanism of NMA-89 in a pouch full cell with a 4.2 V cutoff is compared to that of its cobalt-containing analogs. The results reveal that particle cracking in LiNi 0.89 Mn 0.055 Co 0.055 O 2 (NMC-89) and LiNi 0.883 Co 0.053 Al 0.064 O 2 (NCA-89) leads to a loss of active material and an increase in surface area, thereby exacerbating structural and surface instabilities, accelerating impedance and polarization growth, and ultimately reducing their capacity retentions. LiNi 0.89 Mn 0.044 Co 0.042 Al 0.013 Mg 0.011 O 2 (NMCAM-89) and NMA-89 experience subdued surface reactions and maintain spherical particle structures, both of which are conducive to their capacity retentions during long-term cycling. Furthermore, this investigation offers insights into how specific transition-metal ions dictate the electrochemical stability of high-Ni layered oxide cathode materials, highlights the benefit of Mn-Al combination in NMA-89, and presents potential strategies to further enhance the performance of this novel class of cathode materials.

degradation mechanisms↗

Hydrotrope-enabled high concentration aqueous electrolytes for reversible and sustainable iron metal anodes

Iron metal-based energy storage devices hold great potential in stationary grid-scale sustainable energy due to the high theoretical specific capacity, ultralow cost, and abundance of iron. However, their practical deployment is limited by the poor reversibility of iron plating and stripping, as well as competitive hydrogen evolution. Here we introduce the concept of hydrotropy into iron electrolytes by developing an environmentally friendly and cost-effective high-concentration ferrous sulfate electrolyte using urea as a hydrotropic agent. The designed electrolyte increases the Coulombic efficiency of iron metal electrodes to approximately 96.5%, compared with ~84.6% for the dilute electrolyte. Molecular dynamics simulations and Raman spectroscopy illustrate that urea regulates the competitive coordination of anions and urea in the iron solvation sheath, while reconstructing the hydrogen-bond network in free water molecules. This reduces the activity of both solvated and free water, thereby alleviating hydrogen evolution. Moreover, the coordinated anions and urea molecules facilitate the in-situ formation of an organic-inorganic hybrid protective layer on the metallic iron, establishing a physical barrier against water and promoting homogeneous interfacial reactions. This work demonstrates an appealing opportunity to design cost-effective and high-performance electrolytes and propels the practical application of iron metal-based energy storage devices.

Feng, Guangxia [Stanford Univ., CA (United States)↗

Molten Salt Assisted Low-Temperature Electro-Catalytic Graphitization of Coal Chars

A great effort has been centered around developing clean energy technologies (energy storage devices) to curtail burning fossil fuels' deleterious environmental effects. Rechargeable batteries [lithium-ion batteries (LIBs)] are among the most invested and investigated storage devices showing potential to transform fossil fuel-powered mobility to next-generation safe electromobility. However, LIBs powered electric vehicles (EV) are expensive due to the high-cost graphite anode associated with LIBs. Herein, the synthesis of low-cost, highly crystalline nano-graphite with a tunable microstructural architecture has been demonstrated via molten salt assisted low-temperature electro-catalytic graphitization of coal chars, traditionally non-graphitizable carbon. Thus, graphite derived from coal chars exhibited nanoflake architecture and delivered high reversible capacity, stable long cycle life, and excellent electrochemical performance under fast charging/discharging conditions (5C, ~12 min charge/discharge time). This finding paves the way to manufacture cost-effective high-energy-density batteries using as-synthesized graphite from readily available coal sources that could propel the EVs to the next level.

25 ENERGY STORAGE↗

The Power Reclamation of Utilizing Micro-Hydro Turbines in the Aeration Basins of Wastewater Treatment Plants

Upgrading the aeration basin technology can improve the oxygen transfer efficiency (OTE), while keeping the energy consumption at its minimum level. Therefore, this paper introduces a new idea of installing micro-propeller turbines in the aeration basin of a wastewater treatment plant (WWTP) to extract power from the high-velocity location in the water column. This extracted power can be used to operate a mixer at the top of the membrane to induce the mixing in that region, which will drive the less oxygenated wastewater into the water column. The rest of the extracted power will rotate microturbine rotors for electric power generation. By applying the proposed microturbines to the 13 audited facilities, it was demonstrated to achieve a gross annual energy-savings of 3,836.9 MWh, a gross annual cost-saving of $260,497, and total CO 2 emissions that would be reduced by 2,714 metric tons/year. Generally, the addition of the proposed microturbines can save up to 15.7% of the annual plant electricity consumption (1.3–12.8% of the plant annual electricity bills).

13 HYDRO ENERGY↗

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↗

Self‐Propelling Macroscale Sheets Powered by Enzyme Pumps

Abstract Nanoscale enzymes anchored to surfaces act as chemical pumps by converting chemical energy released from enzymatic reactions into spontaneous fluid flow that propels entrained nano‐ and microparticles. Enzymatic pumps are biocompatible, highly selective, and display unique substrate specificity. Utilizing these pumps to trigger self‐propelled motion on the macroscale has, however, constituted a significant challenge and thus prevented their adaptation in macroscopic fluidic devices and soft robotics. Using experiments and simulations, we herein show that enzymatic pumps can drive centimeter‐scale polymer sheets along directed linear paths and rotational trajectories. In these studies, the sheets are confined to the air/water interface. With the addition of appropriate substrate, the asymmetric enzymatic coating on the sheets induces chemically driven, buoyancy flows that controllably propel the sheet's motion on the air/water interface. The directionality and speed of the motion can be tailored by changing the pattern of the enzymatic coating, type of enzyme, and nature and concentration of the substrate. This work highlights the utility of biocompatible enzymes for generating motion in macroscale fluidic devices and robotics and indicates their potential utility for in vivo applications.

Song, Jiaqi↗

Self‐Propelling Macroscale Sheets Powered by Enzyme Pumps

Nanoscale enzymes anchored to surfaces act as chemical pumps by converting chemical energy released from enzymatic reactions into spontaneous fluid flow that propels entrained nano‐ and microparticles. Enzymatic pumps are biocompatible, highly selective, and display unique substrate specificity. Utilizing these pumps to trigger self‐propelled motion on the macroscale has, however, constituted a significant challenge and thus prevented their adaptation in macroscopic fluidic devices and soft robotics. Using experiments and simulations, we herein show that enzymatic pumps can drive centimeter‐scale polymer sheets along directed linear paths and rotational trajectories. In these studies, the sheets are confined to the air/water interface. With the addition of appropriate substrate, the asymmetric enzymatic coating on the sheets induces chemically driven, buoyancy flows that controllably propel the sheet's motion on the air/water interface. The directionality and speed of the motion can be tailored by changing the pattern of the enzymatic coating, type of enzyme, and nature and concentration of the substrate. This work highlights the utility of biocompatible enzymes for generating motion in macroscale fluidic devices and robotics and indicates their potential utility for in vivo applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Post-irradiation examination of the Sirius-1 nuclear thermal propulsion fuel test

Nuclear Thermal Propulsion (NTP) systems hold promise in reducing transit times for exploration of the solar system by both crewed and uncrewed missions. NTP systems currently under investigation include a once-through high-temperature gas-cooled fission reactor to provide thermal energy to heat the coolant, which also serves as the propellant. The fuel system consists of angular UN fuel particles dispersed in a matrix of W/Re, creating a ceramic and metallic composite or cermet, which has been irradiated in Idaho National Laboratory's (INL) Transient Reactor Test Facility (TREAT). This enabled evaluation of these materials under representative nuclear heating rates (~95 K/s) and peak surface temperatures (~2527 K). Further, these surface conditions were indicative of achievement of the target peak internal temperature of approximately 2850 K. These tests named Sirius-1 (UN–W/Re), have been irradiated and this paper will present post-irradiation examination results. The Sirius-1 test produced minor, stable cracks in the fuel specimen and spalling of surface material. Volatilized uranium ‘soot’ was found deposited on the inner wall of the irradiation capsule indicating loss of some fissile material from the fuel specimen. Spalling from the surfaces was also noted upon visual inspection. Uranium diffusion from the fuel particles resulted in the formation of U/Re phases and the production of a laminar microstructure on the edge of the fuel system. Overall, the specimen was stable and remained within a coolable geometry upon conclusion of multiple thermal cycles to prototypical operating temperatures.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Sirius Irradiation Experiments and Post-Irradiation Examinations for Nuclear Thermal Propulsion

Nuclear Thermal Propulsion (NTP) systems hold promise in reducing transit times for exploration of the solar system by both crewed and uncrewed missions. NTP systems currently under investigation include a once-through high temperature gas-cooled fission reactor to provide thermal energy to heat the coolant which also serves as the propellant. The fuel systems of angular UN fuel particles dispersed in a matrix of W/Re, creating a ceramic and metallic composite or cermet, has been irradiated in Idaho National Laboratory’s (INL) Transient Reactor Test Facility (TREAT) enabling evaluation of these materials under representative nuclear heating rates (~95 K/s) and peak temperatures (~2527 K). These tests named Sirius-1 (UN-W/Re), have been irradiated and this paper will present post-irradiation examination results. The Sirius-1 test produced cracks in the fuel specimen and spalling of surface material. Uranium soot was found on the inner wall of the irradiation capsule indicating loss of some fissile material from the fuel specimen. Spalling from the surfaces was also noted upon visual inspection. Uranium diffusion from the fuel particles resulted in the formation of U/Re phases and edge features producing a laminar microstructure.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

High Energy Physics Network Requirements Review: Final Report, July 2024–December 2024

The world-class research infrastructure at the US Department of Energy (DOE) Office of Science (SC) provides the research community with premier observational, experimental, computational, and network capabilities. Each user facility is designed to provide unique capabilities to advance the core DOE mission in science and technology for its SC program to stimulate rich scientific discoveries and enhance its innovation ecosystem. Research communities gather and flourish around each user facility, bringing together new and enhanced perspectives. The continual reinvention of the practice of science — as users and staff forge novel approaches expressed in research workflows — unlocks new discoveries and propels scientific progress. Within this research ecosystem, the high-performance computing (HPC) and networking user facilities stewarded by the SC’s Advanced Scientific Computing Research (ASCR) program play a dynamic cross-cutting role, enabling complex workflows demanding high-performance data, networking, and computing solutions. The ASCR facilities enterprise seeks to understand and meet the needs and requirements across SC and DOE domain science programs and priority efforts, highlighted by the formal requirements review methodology. Between July and December 2024, the Energy Sciences Network (ESnet) and the Office of High Energy Physics (HEP) of the DOE-SC organized an ESnet requirements review of HEP-supported program activities. Preparation for these events included identification of key stakeholders: program and facility management, research groups, and technology providers. Each stakeholder group was asked to prepare formal case study documents about its relationship to the HEP program to build a complete understanding of the current, near-term, and long-term status, expectations, and processes that will support the science going forward.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Shear Strength and Release of Large Cryogenic Pellets from the Barrel of a Shattered Pellet Injector for Disruption Mitigation

Shattered pellet injection (SPI) has been chosen as the baseline disruption mitigation system on ITER due to its ability to rapidly inject material deep into the plasma to greatly increase the plasma density and radiate the thermal energy. SPI utilizes a mechanical punch or high-pressure gas to release and accelerate a pellet that has been cryogenically desublimated in the barrel of a pipe gun. Various material injection combinations could possibly be implemented during different phases of a disruption event to radiate plasma energy, reduce electromagnetic loads on machine components, avoid the formation of runaway electrons, or to dissipate runaway electrons that form. Each injection phase could possibly utilize combinations of deuterium, neon, or argon. In this paper we outline experimental measurements of pellet material shear strength at SPI operating temperatures to understand the force needed to release SPI pellets. Deuterium, neon, argon, and deuterium-neon mixture pellets with diameters of 8.5, 12.5, and 15.7 mm are formed at a range of relevant gas pressures and temperatures and dislodged from the cold zone with a slow-moving piston driven by a motor. The slow-moving piston is kept above the triple point temperature of the material while the pellet is forming, then cooled to below the triple point temperature before contacting the pellet to minimize any thermal conduction to the pellet. The piston incorporates a load cell to measure the force applied when the pellet breaks away from the cold zone in the barrel.The ability of the gas and punch methods to exceed the shear strength of the studied pellet materials for release has been analyzed. High pressure gas delivered by fast opening valves produce pressure shock to the pellet due to supersonic expansion of the propellant gas. Pressure (and therefore, force) oscillations are present due to transverse density propagation throughout the breech volume. Mechanical punches deliver an impact force through a high-kinetic energy impact. The effect of the mechanical shock on the pellet has been explored and will be presented in this paper. Scaling to larger ITER size SPI pellets will be described.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A Prototype High-Voltage Pulsed Power Supply for Control of the ITER Shattered Pellet Injection System Flyer Plate Valve

A high-voltage pulsed power supply (HVPPS) has been designed, prototyped, and tested for driving an eddy current actuated propellant valve for the International Thermonuclear Experimental Reactor (ITER) disruption mitigation system. The high-voltage (HV) dc supply output voltage is software programmable, and the energy storage capacitor bank can be readily reconfigured as 200, 400, 600, and 800 μ F, enabling testing and optimization of both the valve drive and valve systems. Multiple system parameters are monitored before, during, and after each firing of the valve. The system parameters are both displayed and stored for further analysis. Control of the setup, firing sequence, and data collection is automated using a LabVIEW-based control program. The programmability and reconfigurability of this system collectively provide a flexible and robust platform for system refinement and optimization. In this article, a summary of the system will be provided including operational sequences, HV switching and associated triggering methods and circuits, and results measured while firing a solid frozen pellet. Additionally, planned refinement activities toward meeting all requirements for ITER integration will be discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

High gradient research and facilities at Los Alamos National Laboratory [Slides]

A particle accelerator is a scientific instrument that produces a directional stream of electrically charged particles, usually electrons or protons. The accelerator propels particles to high speeds, close to the speed of light. Historically, accelerators play a crucial role in scientific discovery. Nowadays, accelerators produce particle beams for biomedical and material research, manufacturing, energy technology, and Homeland security.

43 PARTICLE ACCELERATORS↗

Fabrication and characterization of nanoscale magnesium diboride and tetraboride for propulsion and hydrogen storage applications

Abstract: Boron-loaded propellants have the potential to dramatically increase the performance of solid fuel ramjets, ducted rockets, and hybrid rocket engines. However, difficult ignition of boron decreases the combustion efficiency of these propellants. One approach to solving this problem involves the use of magnesium diboride, MgB2, which ignites easier than boron. Magnesium tetraboride, MgB4, potentially offers greater energetic performance as B has a higher energy density than Mg. However, the effect of the higher boron/metal ratio on the ignition and combustion is unclear. Nanoscale MgB2 particles and quasi 2D structures are promising propellant ingredients, but the oxidation and combustion properties of nanoscale MgB4 remain unknown. Nanoscale magnesium borides are also of interest as precursors for the synthesis of magnesium borohydride, Mg(BH4)2, a promising hydrogen storage material, but hydrogenation of MgB4 has not been studied yet. The objectives of the present work included synthesis, purification, and high-energy ball milling of MgB2 and MgB4 powders as well as investigation of their hydrogen uptake, thermal decomposition, oxidation, and combustion. The powders were fabricated by combustion synthesis and by heating in a tube furnace. The latter method was superior in the synthesis of MgB4. Oxide impurities in the synthesized powders were removed by acid leaching. Nanoscale powders were obtained by ball-mill exfoliation. The hydrogen intake of the obtained magnesium borides was examined at 700 bar and 300 ℃ and did not reveal any advantage of MgB4 over MgB2. Their thermal decomposition and oxidation were investigated with thermogravimetric analysis (TGA), while their combustion was studied using laser ignition and high-speed video recording. TGA has confirmed prior observations of multistep decomposition of magnesium borides, where each step involves formation of a boride with a higher B/Mg ratio and evaporation of formed magnesium. The oxidation rates of the borides are much higher than that of boron at temperatures over 1200 °C for MgB2 and over 900 °C for MgB4. The burning rates of non-milled MgB₂ and MgB₄ powders were much higher than for the used submicron boron. Milling the MgB₂ and MgB₄ powders further increased their burning rates. The milled MgB4 burned 7.5 times faster than submicron boron.

Combustion of metals, Solid fuels, Propellants, Hy↗