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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 253 records · Page 14

The Relationship between Ionic Conductivity and Solvation Structures of Localized High-Concentration Fluorinated Electrolytes for Lithium-Ion Batteries

Localized high concentration electrolyte (LHCE) combines a diluent with high concentration electrolyte (HCE), offering promising properties. The ions, solvent, and diluent interact to form a complex heterogenous liquid structure, where high salt concentration clusters are embedded in diluent. Optimizing LHCE for desired electrolyte properties like high ionic conductivity, low viscosity, effective solid electrolyte interphase (SEI) formability, within the vast chemical and compositional design space requires deeper understanding and theoretical guidance. For this work, we investigated the structures and conductivity of LHCEs based on a fluorinated solvent with two different diluents at varying concentrations. The 2,2,3,3-tetrafluoropropyl trifluoroacetate (TFPTFA) enters the solvation cluster due to its stronger Li-ion interactions, whereas 1,1,2,2-tetrafuoroethyl 2,2,2-trifuoroethyl ether (TFETFE) enters only at extremely high diluent concentrations. The ionic conductivity increases with decreasing diluent concentrations, with a slope change during cluster percolation. Overall, TFETFE demonstrates higher effectiveness than TFPTFA, forming higher local salt concentration clusters, and resulting in higher ionic conductivity.

cluster chemistry↗

Bimetallic Metal–Organic Framework Fe/Co-MIL-88(NH 2 ) Exhibiting High Peroxidase-like Activity and Its Application in Detection of Extracellular Vesicles

Metal–organic frameworks (MOFs) have many attractive features, including tunable composition, rigid structure, controllable pore size, and large specific surface area, and thus are highly applicable in molecular analysis. Depending on the MOF structure, a high number of un-saturated metal sites can be exposed to catalyze chemical reactions. In the present work, we report that by using both Co(II) and Fe(III) to prepare the MIL-88(NH 2 ) MOF, we can produce the bimetallic MOF that can catalyze the conversion of 3,3', 5,5"-tetramethylbenzidine (TMB) to a color product through reaction with H 2 O 2 at a higher reaction rate than the monometallic Fe-MIL-88(NH 2 ). The Michaelis constants (K m ) of the catalytic reaction for TMB and H 2 O 2 are 3-5 times smaller, and the catalytic constants (k cat ) are 5-10 times higher than those of the horse-radish peroxidase (HRP), supporting ultrahigh peroxidase-like activity. These values are also much more superior to those of the HRP-mimicking MOFs reported previously. Interestingly, the bimetallic MOF can be coupled with glucose oxidase (GOx) to trigger the cascade enzymatic reaction for highly sensitive detection of extracellular vesicles (EVs), a family of important biomarkers. Through conjugation to the aptamer that recognizes the marker protein on EV surface, the MOF can help isolate the EVs from biological matrices, which are subsequently labeled by GOx via antibody recognition. The cascade enzymatic reaction between MOF and GOx enables detection of EVs at a concentration as low as 7.8 × 10 4 particles/ml. Further, the assay can be applied to monitor EV secretion by cultured cells, and also can successfully detect the different EV quantities in the sera samples collected from cancer patients and healthy controls. Overall, we prove that the bimetallic Fe/Co-MIL-88(NH 2 ) MOF, with its high peroxidase-activity and high biocompatibility, is a valuable tool deployable in clinical assays to facility disease diagnosis and prognosis.

36 MATERIALS SCIENCE↗

A Superior Carbonate Electrolyte for Stable Cycling Li Metal Batteries Using High Ni Cathode

Li metal batteries pairing Li metal anode with high-nickel layer structured oxide cathode are a promising energy storage technology to achieve high energy density. To obtain long cycling life for Li metal batteries, the electrolyte plays a pivotal role in stabilizing both the Li metal anode and the high-nickel cathode upon electrochemical cycling. Herein, we report a carbonate electrolyte that enables a Li||LiNi 0.8 Mn 0.1 Co 0.1 O 2 pouch cell to achieve a high gravimetric energy density of 366 Wh/kg and unprecedented cycling stability with 80% capacity retention after 335 cycles. Here, the 19 F quantitative nuclear magnetic resonance spectroscopy and interface characterization demonstrate that FEC and LiDFOB can reduce the consumption rate of each other and the electrolyte, form a robust LiF-rich SEI on Li metal anode, and improve the microstructure integrity of the high-nickel cathode.

25 ENERGY STORAGE↗

4D Proxy Imaging of Fracture Dilation and Stress Shadowing Using Electrical Resistivity Tomography During High Pressure Injections into a Dense Rock Formation

Fluid flow through fractured rock systems is governed in large part by the distribution, interconnectivity, and size of fracture apertures. In-situ stress is one of the primary factors controlling fracture aperture, and one that is altered significantly during high-pressure fluid injections or extractions. Interactions between stress, pore pressure, aperture, and fluid flow can result in complex and evolving poroelastic behavior with significant implications regarding the predictability and risk of developing and managing deep subsurface reservoirs (geothermal, fossil energy, and geologic carbon sequestration). In saturated crystalline rocks, bulk electrical conductivity is highly sensitive to porosity, and therefore to fracture aperture size and distribution. We demonstrate the use of time-lapse 3D electrical resistivity tomography for remotely monitoring stress induced changes in aperture distribution during high pressure injections into a fractured rock system at a scale of tens of meters. Results reveal a complex and continuously evolving stress field involving aperture dilations in the natural fracture system and aperture contractions in adjacent zones of shadow stress. Results provide information about the spatiotemporal changes in the system behavior and point to the potential of electrical imaging for autonomously and remotely monitoring evolving stress conditions by proxy through changes in bulk electrical conductivity.

electrical resisitivity tomography, stress, 4D Tim↗

A topological kagome magnet in high entropy form

AbstractTopological kagome magnets RMn 6 Sn 6 (R = rare earth element) attract numerous interests due to their non-trivial band topology and room-temperature magnetism. Here, we report a high entropy version of kagome magnet, (Gd 0.38 Tb 0.27 Dy 0.20 Ho 0.15 )Mn 6 Sn 6 . Such a high entropy material exhibits multiple spin reorientation transitions, which is not seen in all the related parent compounds and can be understood in terms of competing magnetic interactions enabled by high entropy. Furthermore, we also observed an intrinsic anomalous Hall effect, indicating that the high entropy phase preserves the non-trivial band topology. These results suggest that high entropy may provide a route to engineer the magnetic structure and expand the horizon of topological materials.

36 MATERIALS SCIENCE↗

Developing high safety Li-metal anodes for future high-energy Li-metal batteries: strategies and perspectives

Developing high-safety Li-metal anodes (LMAs) is extremely important for the application of high-energy Li-metal batteries (LMBs), especially Li–S and Li–O 2 battery systems. However, the notorious Li-dendrite growth problem results in serious safety concerns for any energy storage application. Through a recent combination of interface-based science, nanotechnology-based solutions and characterization methods, the LMA is now primed for a technological boom. In this review, the recent emerging strategies and perspectives on LMAs are summarized, following which the current huge evolution in interfacial chemistry regulation, optimizing electrolyte components, designing a rational ‘host’ for lithium metal, optimizing “solid-state electrolytes” and other emerging strategies for developing high-safety LMAs is highlighted. Furthermore, several state-of-the-art in situ/operando synchrotron-based X-ray techniques for high safety LMB research are introduced. With the further development of LMAs in the future, subsequent application in high energy LMBs is to be expected.

25 ENERGY STORAGE↗

High-resolution inelastic x-ray scattering at the high energy density scientific instrument at the European X-Ray Free-Electron Laser

We introduce a setup to measure high-resolution inelastic x-ray scattering at the High Energy Density scientific instrument at the European X-Ray Free-Electron Laser (XFEL). The setup uses the Si (533) reflection in a channel-cut monochromator and three spherical diced analyzer crystals in near-backscattering geometry to reach a high spectral resolution. An energy resolution of 44 meV is demonstrated for the experimental setup, close to the theoretically achievable minimum resolution. The analyzer crystals and detector are mounted on a curved-rail system, allowing quick and reliable changes in scattering angle without breaking vacuum. The entire setup is designed for operation at 10 Hz, the same repetition rate as the high-power lasers available at the instrument and the fundamental repetition rate of the European XFEL. Among other measurements, it is envisioned that this setup will allow studies of the dynamics of highly transient laser generated states of matter.

47 OTHER INSTRUMENTATION↗

High-yield and high-angular-fluence neutron generation from deuterons accelerated by laser-driven collisionless shock

Since a bright collimated neutron source is an essential tool for global security missions and fundamental scientific research. In this paper, we study a compact high-yield and high-angular-fluence neutron source particularly suitable for high-energy neutron applications utilizing the breakup reaction of laser-driven deuterons in a 9 Be converter. The neutron generation scaling from such a reaction is used to guide the choice and optimization of the acceleration process for bulk ions in a low density CD 2 foam. In particular, the collisionless shock acceleration mechanism is exploited with proper choice in the laser and target parameter space to accelerate these ions toward energies above the temperature of the distribution. Particle-in-cell and Monte Carlo simulations are coupled here to investigate this concept and possible adverse effects as well as the contribution from the surface ions accelerated and the optimal converter design. The simulation results indicated that our design can be a practical approach to increase both the neutron yield and angular fluence of laser-driven neutron sources, reaching >10 11 neutron/pulse (or >10 8 neutron/J) and >10 11 neutron/sr (or >10 8 neutron/sr/J) with present-day kJ-class high-power lasers. Such developments will advance fundamental neutron science, high precision radiography, and other global security applications with laser-driven sources.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Radio frequency and DC high voltage breakdown of high pressure helium, argon, and xenon

Motivated by the possibility of guiding daughter ions from double beta decay events to single-ion sensors for barium tagging, the NEXT collaboration is developing a program of R&D to test radio frequency (RF) carpets for ion transport in high pressure xenon gas. This would require carpet functionality in regimes at higher pressures than have been previously reported, implying correspondingly larger electrode voltages than in existing systems. This mode of operation appears plausible for contemporary RF-carpet geometries due to the higher predicted breakdown strength of high pressure xenon relative to low pressure helium, the working medium in most existing RF carpet devices. In this paper we present the first measurements of the high voltage dielectric strength of xenon gas at high pressure and at the relevant RF frequencies for ion transport (in the 10 MHz range), as well as new DC and RF measurements of the dielectric strengths of high pressure argon and helium gases at small gap sizes. We find breakdown voltages that are compatible with stable RF carpet operation given the gas, pressure, voltage, materials and geometry of interest.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

High-frequency phonons drive large phonon-drag thermopower in semiconductors at high carrier density

It has been well established that (i) the thermopower of semiconductors can be enhanced through a phe- nomenon known as the drag effect, and (ii) the drag enhancement involves only low-frequency acoustic phonons and benefits from low electron densities and low temperatures. Using first-principles calculations we show that large drag enhancements to the thermopower are possible at high carrier density even at room temperature and arise from high-frequency acoustic phonons. A fascinating example is cubic boron arsenide (BAs) for which the calculated room temperature drag enhancement of the thermopower exceeds an order of magnitude at a high hole density of 10 21 cm –3 . This remarkable behavior stems from the simultaneously weak phonon-phonon and phonon-hole scattering of the high-frequency phonons in BAs that become drag active at high carrier densities through electron-phonon interactions. Furthermore, this work advances our understanding of coupled electron-phonon nanoscale transport and introduces an unexpected paradigm for achieving large thermopowers.

36 MATERIALS SCIENCE↗

Self-Resonant Coil Design for High-frequency High-Power Inductive Wireless Power Transfer

In this paper, the design methodology of a high-frequency, high-power, long-distance inductive wireless power transfer (WPT) is presented. The airgap (d) of a traditional high-power (>1 kW) WPT is limited to a few hundred millimeters, which is almost 1/4th of the coil diameter, D; d ≤ D/4. In this paper, the power transfer distance is significantly increased (d ≥ 1.5D) by adopting a high-frequency magnetic design and GaN-based power electronics. The material and design of the coil and shield are investigated using FEA and tested experimentally. A high frequency 6.78 MHz wireless charging system was built to transfer 1 kW power over 3 m airgap.

Mohammad, Mostak↗

Nannochloropsis oceanica IMET1 and its bacterial symbionts for carbon capture, utilization, and storage: biomass and calcium carbonate production under high pH and high alkalinity

ABSTRACT To combat the increasing levels of carbon dioxide (CO 2 ) released from the combustion of fossil fuels, microalgae have emerged as a promising strategy for biological carbon capture, utilization, and storage. This study used a marine microalgal strain, Nannochloropsis oceanica IMET1, which thrives in high CO 2 concentrations. A high-pH, high-alkalinity culture was designed for CO 2 capture through algal biomass production as well as permanent sequestration through calcium carbonate (CaCO 3 ) precipitation. This was accomplished by timed pH elevation and the addition of sodium bicarbonate to cultures of N. oceanica grown at lab scale (1 L) and pilot scale (500 L) with 10% and 5% CO 2 , respectively. Our data showed that 0.02 M NaHCO 3 promoted algal growth and that sparging cultures with ambient air after 12 days raised pH and created favorable CaCO 3 formation conditions. At the 1 L scale, we reached 1.52 g L −1 biomass after 12 days and an extra 9.3% CO 2 was captured in the form of CaCO 3 precipitates. At the 500 L pilot scale, an extra 60% CO 2 was captured (Day 40) with a maximum CO 2 capture rate of 63.2 g m −2 day −1 (Day 35). Bacterial communities associated with the microalgae were dominated by two novel Patescibacteria. Functional analysis revealed that genes for several plant growth-promotion traits (PGPTs) were enriched within this group. The microalgal-bacterial coculture system offers advantages for enhanced carbon mitigation through biomass production and simultaneous precipitation of recalcitrant CaCO 3 for long-term CO 2 storage. IMPORTANCE Capturing carbon dioxide (CO 2 ) released from fossil fuel combustion is of the utmost importance as the impacts of climate change continue to worsen. Microalgae can remove CO 2 through their natural photosynthetic pathways and are additionally able to convert CO 2 into a stable, recalcitrant form as calcium carbonate (CaCO 3 ). We demonstrate that microalgae-based carbon capture systems can be greatly improved with high pH and high alkalinity by providing optimal conditions for carbonate precipitation. Our results with the microalga, Nannochloropsis oceanica strain IMET1, show an extra 9.3% CO 2 captured as CaCO 3 at the 1 L scale and an extra 60% CO 2 captured at the 500 L (pilot) scale. Our optimized system provides a novel approach to capture CO 2 through two mechanisms: (i) as organic carbon within microalgal biomass and (ii) as inorganic carbon stored permanently in the form of CaCO 3.

20 FOSSIL-FUELED POWER PLANTS↗

Plasma Mirrors For High Power Lasers: A new approach for high repetition rates combined with realistic PIC simulations

We describe a research program to develop high quality plasma mirrors for use with high repetition rate, high power laser facilities to greatly facilitate experiments in high energy density physics, particularly when using solid density targets. A system delivering ultrathin, free standing liquid crystal films that could handle PW class laser pulses was developed that preserved the laser beam image quality and improved pulse contrast by over two orders of magnitude. The pulse contrast improvement was measured using a high dynamic range cross-correlation. The system operated at a repetition rate of several PMs formed in situ per minute. Extension to 1 Hz repetition rates should be possible. As a practical application, a PM system was used to separate laser accelerated electrons from the ultrashort pulse drive laser so that the electron beam emittance could be directly measured. The 20 nm thick PMs did not contribute significantly to emittance degradation. It was also demonstrated that the films could operate in the difficult plasma and laser environment present for GeV laser based electron acceleration. PM operation is still not well understood and much work with PMs is done empirically. Accordingly, we also demonstrated a particle-in-cell based simulation technique that would model PM operation, tracking the PM operation from cold, neutral atoms to a hot dense plasma by accounting for multiphoton ionization, plasma collisionality, and the dynamically changing index of refraction. Simulations in 3D were compared to a 2D based approach that was comparable. Finally, we developed a simpler model that can predict the intensity at which a plasma mirror will have its peak reflectivity.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Synthesis of Microscopic 3D Graphene for High-Performance Supercapacitors with Ultra-High Areal Capacitance

This presentation was given at the 2024 AIChE Annual Meeting, San Diego, CA, October 27-31, 2024. This presentation describes a low-cost and scalable method to convert coal tar pitch into high-quality 3D graphene with high surface area, hierarchical pore size distribution, and high electrical conductivity which allows for the creation of supercapacitor electrodes with ultra-high mass loading (30 mg/cm2), leading to ultra-high areal capacitance.

Pham, Viet Hung↗

High-Burnup BWR LOCA Burst Analysis Using High-Fidelity Multiphysics Simulations

The US nuclear industry is looking to improve on the operating economics of the current fleet of light-water reactors (LWRs). One way of achieving this is by operating fuel to higher burnup. In pressurized water reactors (PWRs), relaxing the current burnup limit will allow for cycle length extensions and power uprates; in boiling water reactors (BWRs) it may allow for improved fuel utilization and reduced feed assemblies, as well as more efficient power uprates and increased capacity factors that will support the Administration’s Executive Order to facilitate 5 GW of power uprates at existing nuclear facilities. However, one of the key limitations to operating fuel to higher burnup is the risk of fuel fragmentation, relocation, and dispersal (FFRD). Recognizing the high interest in extending burnup limits, the US Nuclear Regulatory Commission (NRC) has issued Draft Regulatory Guide DG-1434, which defines an approach that would be acceptable to the NRC for addressing FFRD risk. The approach defined will require better understanding of the phenomena leading to FFRD as well as best-estimate simulation methods to understand FFRD risk in high-burnup cores. The Nuclear Energy Advanced Modeling and Simulation program is supporting the FFRD industry challenge problem through development of state-of-the-art, high-fidelity modeling and simulation LWR analysis capabilities; namely, the BISON fuel performance code and the VERA core simulator software. These tools, along with the US NRC TRACE system analysis code, have been utilized for analysis of FFRD risk in both PWR and BWR cores in recent years. The work documented in this report addresses the lack of high-fidelity research for BWRs and builds on a previous activity where the framework has been applied to Cycles 16 through 18 of Limerick Unit 1, a BWR/4, with introduction of 8 high-burnup lead use assemblies (HBLUAs) that were representative of the 8 HBLUAs loaded into Limerick Unit 2 in 2021. VERA was used in this previous activity to model rod-by-rod depletion in these cycles, and its solution was used to initialize a TRACE simulation of a large-break loss-of-coolant accident (LBLOCA) at the end of Cycle 18. In the work documented in this report, the TRACE model was improved by refining the core mesh and utilizing a new feature that allows for capturing the full 3D VERA power distribution in the model. This allows for a more detailed solution for setting BISON boundary conditions. Furthermore, the solutions from VERA and TRACE were used to set up and perform BISON simulations of about 1,000 rods sampled from the core, including all burnup levels. Utilizing two cladding burst models, it was shown that no fuel rods were predicted to burst during the postulated LBLOCA transient. Additionally, a sensitivity study was performed by artificially increasing linear heat rate during the postulated LBLOCA to identify parameters that correlate with rod burst susceptibility. Burnup, fission gas release, and hoop strain were all found to be positively correlated with rod burst susceptibility. Small-break loss-of-coolant accident (SBLOCA) analyses were also performed; these analyses predicted cladding temperature increases that were bounded by the LBLOCA cladding temperatures for all small break sizes studied for this plant. However, future refinements to the plant response assumptions during the SBLOCA could impact the predicted cladding response. Finally, a benchmark study was performed between CTF and TRACE for LOCA conditions to better qualify CTF for BWR LOCA modeling.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

High-Power Targetry R&D Roadmap for High Energy Physics

Designing a reliable target is already a challenge for MW-class facilities today and has led several major accelerator facilities to operate at lower power due to target concerns. With present plans to increase beam power for next-generation accelerator facilities in the next decade, timely R&D in support of robust high-power targets is critical to secure the full physics benefits of ambitious accelerator power upgrades. The next generation of high-power targets and beam-intercepting devices (beam dumps, absorbers, collimators ) will have more complex geometries, novel materials, and new concepts that allow for use of improved high-heat-flux cooling methods. Advanced numerical simulations need to be developed to support design of reliable high-power beam targets. In parallel, development of radiation-hardened beam instrumentation is needed. Irradiation methods for high-power targets must be further developed, and new irradiation facilities are needed since only a few facilities worldwide offer beams suitable for target testing. A comprehensive R&D program must be implemented to address the many complex challenges faced by multi-MW beam intercepting devices.

Pellemoine, Frederique [Fermilab]↗

High Strength and Fracture Resistance of Reduced-Activity W-Ta-Ti-V-Zr High-Entropy Alloy for Fusion Energy Applications

Refractory high-entropy alloys (HEAs) are promising candidates for next-generation nuclear applications, particularly fusion reactors, due to their excellent high-temperature mechanical properties and irradiation resistance. Here, the microstructure and mechanical behavior were investigated for an equimolar WTaTiVZr HEA, designed from a palette of low-activation elements. The as-cast alloy exhibited a dendritic microstructure composed of W-Ta rich dendrites and Zr-Ti-V rich inter-dendritic regions, both possessing a body-centered cubic (BCC) crystal structure. Room temperature bulk compression tests showed ultra-high strength of around 1.6 GPa and plastic strain ~6%, with fracture surfaces showing cleavage facets. The alloy also demonstrated excellent high-temperature strength of ~650 MPa at 500 °C. Scratch-based fracture toughness was ~38 MPa√m for the as-cast WTaTiVZr HEA compared to ~25 MPa√m for commercially used pure tungsten. This higher value of fracture toughness indicates superior damage tolerance relative to commercially used pure tungsten. These results highlight the alloy’s potential as a low-activation structural material for high-temperature plasma-facing components (PFCs) in fusion reactors.

Physics↗