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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 721 records · Page 40
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Quantification of heterogeneous, irreversible lithium plating in extreme fast charging of lithium-ion batteries

Realization of extreme fast charging (XFC, ≤15 minutes) of lithium-ion batteries is imperative for the widespread adoption of electric vehicles. However, dramatic capacity fading is associated with XFC, limiting its implementation. To quantitatively elucidate the effects of irreversible lithium plating and other degradation mechanisms on the cell capacity, it is important to understand the links between lithium plating and cell degradation at both the local and global (over the full cell) scales. Here, we study the nature of local lithium plating after hundreds of XFC cycles (charging C-rates ranging from 4C to 9C) in industrially-relevant pouch cells using spatially resolved X-ray diffraction. Our results reveal a spatial correlation at the mm scale between irreversible lithium plating on the anode, inactive lithiated graphite phases, and local state-of-charge of the cathode. In regions of plated lithium, additional lithium is locally and irreversibly trapped as lithiated graphite, contributing to the loss of lithium inventory (LLI) and to a local loss of active anode material. The total LLI in the cell from irreversibly plated lithium is linearly correlated to the capacity loss in the batteries after XFC cycling, with a non-zero offset originating from other parasitic side reactions. Finally, at the global (cell) scale, LLI drives the capacity fade, rather than electrode degradation. We anticipate that the understanding of lithium plating and other degradation mechanisms during XFC gained in this work will help lead to new approaches towards designing high-rate batteries in which irreversible lithium plating is minimized.

25 ENERGY STORAGE↗
DOE OSTI2021

Predicting Thermal Excursions During in situ Oxidative Regeneration of Packed Bed Catalytic Fast Pyrolysis Catalyst

Ex situ catalytic fast pyrolysis (CFP) uses a secondary reactor to upgrade biomass pyrolysis vapors to stabilized CFP oils with reduced oxygen content. In one configuration, the secondary reactor is operated as a packed-bed swing reactor system which allows coke-deactivated beds to be decarbonized in situ while other beds remain online for vapor upgrading. In situ decarbonization must be done carefully to avoid irreversible deactivation and/or physical degradation of catalyst pellets. Given that packed bed reactors are well known to have poor heat transfer characteristics, this is a critical issue impacting scaleability and commercial viability of the technology. To predict thermal excursions during regeneration, finite element computational models have been built to assist in scaling up oxidative decarbonization of a Pt/TiO2 CFP catalyst (0.5 mm spheres) from a bench scale packed bed with 100 g of catalyst to a pilot scale packed bed with 2 kg of catalyst and internal cooling tubes. Based on transient measurements of outlet temperature and effluent CO2 concentration, and using an assumed coke profile and activation energy, this paper demonstrates that specific combinations of effective thermal conductivity and wall heat transfer coefficient can fit bench scale oxidative regeneration data equally well. For the upscaled 2 kg bed, four bench-scale “best fit” parameter pairs give different predictions for location and magnitude of thermal excursions, with the maximum computed bed temperature gradients ranging from 30 °C cm-1 to as high as 3000 °C cm-1. The larger the fraction of heat removal by conduction through the cooling tubes, the greater the differences between the parameter pairs. The modelling results presented in this paper cast doubt on the industrial viability of the proposed combination of catalyst, bed and regeneration process, and point to the need for alternate reactor designs. However, there is considerable uncertainly in some of the key model parameters. The reliability of model predictions can be increased by adding more temperature measurements at key bed locations, testing additional variations in process conditions, performing careful bed dissections to determine the true coke profile, and perhaps most importantly, directly measuring the effective thermal conductivity of the catalyst pellets.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Particle size effect of graphite anodes on performance of fast charging Li-ion batteries

Charging energy-dense lithium-ion batteries (LIBs) with thick graphite electrodes at high current densities are typically accompanied by poor performance and safety issues. The root cause is the onset of Li plating at the surface of graphite when lithiated to a high capacity within a short time period. Here, we investigated the behavior of graphite electrodes with various particle sizes under fast charge operations. Results from the electrochemical characterization on graphite electrodes exhibit the superiority of smaller particles over bigger particles in terms of suppressing the onset of Li plating and growth of plated Li particles. Observations from scanning electron microscopy also corroborate the presence of plated Li in electrodes with big graphite particles and its absence in graphite electrodes with small particles, when the cells were lithiated to 90% of the state of charge (SOC). Further, the improved performance of cells with the small particles might be associated with the low Li-ion concentration at the surface of graphite and thus reduced overpotential in graphite electrodes. The simulated results revealed that, compared to bigger particles, smaller particles have lower surface intercalation at any given cell SOC, which may significantly reduce the overpotential in the graphite electrodes and mitigate the onset of Li plating. This agrees well with experimental observations.

25 ENERGY STORAGE↗
DOE OSTI2024

Opening pathways for the conversion of woody biomass into sustainable aviation fuel via catalytic fast pyrolysis and hydrotreating

Meeting aggressive decarbonization targets set by the International Civil Aviation Organization (ICAO) will require the rapid development of technologies to produce sustainable aviation fuel (SAF). Catalytic fast pyrolysis (CFP) can support these efforts by opening pathways for the conversion of woody biomass into an upgraded biogenic oil that can be further processed to SAF and other fuels. However, the absence of end-to-end experimental data for the process leads to uncertainty in the yield, product quality, costs, and sustainability of the pathway. The research presented here serves to address these needs through a series of integrated experimental campaigns in which real biomass feedstocks are converted to a final SAF product using large bench-scale continuous reactor systems. For these campaigns, the degree of catalytic upgrading during CFP was varied to produce CFP-oils with oxygen contents of 17 and 20 wt% on a dry basis. The CFP-oils were then hydrotreated and distilled into gasoline, diesel, and SAF fractions. Detailed yield and compositional data were obtained for each step of the process to inform technoeconomic and lifecycle analyses, and the fuel properties of the SAF fraction were evaluated to provide first-of-its-kind insight into the quality of the final product. This research reveals opportunities to optimize process carbon efficiency by tuning the degree of catalytic upgrading during the CFP step and highlights routes to produce a high-quality cycloalkane-rich SAF with 85–92% reduction in greenhouse gas emissions compared to fossil-based pathways.

09 BIOMASS FUELS↗
DOE OSTI2024

Cycloalkane-rich sustainable aviation fuel production via hydrotreating lignocellulosic biomass-derived catalytic fast pyrolysis oils

Sustainable aviation fuel (SAF) produced from lignocellulosic biomass is emerging as an ideal alternative to conventional jet fuel for aviation sector decarbonization. Catalytic fast pyrolysis (CFP) can convert lignocellulosic biomass into relatively stable bio-oil that can be selectively transformed to various transportation fuels through hydroprocessing under conditions of different severities. In this contribution, two CFP oils produced from pine-based feedstocks over different types of catalysts (i.e., ZSM-5 and Pt/TiO 2 catalysts) were hydrotreated at 125 bar in a non-isothermal process with a maximum temperature of 385 °C over a sulfided NiMo/Al 2 O 3 catalyst to produce SAF with high cycloalkane concentrations of 89–92 wt%. Cycloalkanes are an important component of jet fuel with advantageous fuel properties, such as high energy density, low sooting, and potential for replacing aromatic hydrocarbons to provide good seal swelling properties. The hydrotreating process successfully converted 91–92% of the biogenic carbon in the CFP oil intermediates to liquid-phase hydrotreated products. Through distillation, 39–40 wt% of the hydrotreated oils were collected in the jet-fuel range as SAF fractions. The rest of the hydrotreated product could be valorized as fuels (e.g., diesel) or chemicals. The SAF fractions with oxygen contents below the detection limit (<0.01 wt%) met ASTM D7566 finished fuel blend and D4054 Tier 1 specifications with respect to density, lower heating value (LHV), volatility, flash point, and freeze point. These results indicate hydrotreating lignocellulosic biomass-derived CFP oil as a promising pathway to produce high-quality SAF rich in cycloalkanes. Continued research is required to increase the SAF yield by process improvements, such as increased CFP oil yields, and an enhanced production of SAF-range molecules via e.g., cracking of high-molecular weight compounds either during CFP or hydrotreating, as well as evaluation of a broader range of jet fuel properties and performance requirements.

09 BIOMASS FUELS↗
DOE OSTI2020

An Efficient 1-D Thermal Stratification Model for Pool-Type Sodium-Cooled Fast Reactors

Investigating thermal stratification in the upper plenum of a sodium fast reactor (SFR) is presently a technology gap in SFR safety analysis. Understanding thermal stratification will promote safe operation of the SFR before its commercial deployment. Stratified layers of liquid sodium with a large vertical temperature gradient could be established in the upper plenum of an SFR during a down-power or a loss-of-flow transient. These stratified layers are unstable and could result in uncertainties for the core safety of an SFR. In order to predict the occurrence of the thermal stratification efficiently, we developed a one-dimensional (1-D) transport model to estimate the temperature profile of the ambient fluid in the upper plenum. This model demands much less computational effort than computational fluid dynamics (CFD) codes and provides calculations with higher fidelity than historical system-level codes. Two flow conditions were considered separately in the current study depending on if in-vessel components are presented in the upper plenum. For the condition where in-vessel components, specifically the upper internal structure, are presented, we assumed that the impinging sodium was evenly dispersed in the ambient fluid within the distance between the bottom of the in-vessel component and the jet inlet surface. For the condition where no in-vessel components are presented, we assumed that the impinging sodium was evenly dispersed in the ambient fluid within the jet length, which was determined through data-driven trainings. The newly developed 1-D model showed similar performance with the CFD model in both cases. However, due to the assumption of flat profiles of the impinging jet axial dispersion rate, nonnegligible discrepancies between the 1-D prediction and the measured data were observed.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2021

CFD Evaluation of Pressure Change Along Coolant Passages in Sodium-Cooled Fast Reactor with Nek5000

To support the design efforts of advanced sodium-cooled fast reactors (SFRs), a series of computational fluid dynamics (CFD) simulations are performed to investigate the pressure change along various flow passages in the proposed SFR system. The simulations are carried out with the state-of-the-art spectral element flow solver, Nek5000. Two specific case studies are presented in this paper: the flow exiting the axial neutron reflector channels and the flow entering the fuel pin bundle. Due to the high Reynolds numbers expected, a Reynolds-averaged Navier-Stokes (RANS) approach is necessary to model the turbulence. A newly developed regularized k-omega RANS model is adopted in the related CFD calculations. The first case study explores the effect of Reynolds number on the pressure change when flow exits the reflector channels. The pressure change in this case has two major contributors: the change due to wall friction and the Bernoulli effect. It is noted that the nondimensional pressure loss follows a log-linear trend up to Re = 10 5 , and then the trend is flattened. In the second case study, the advanced NekNek coupling capability is tested where an integral domain can be divided into multiple subdomains with coupling interfaces, which would greatly ease the meshing process of complex engineering geometries and potentially save computational resources. The preliminary results obtained so far confirm the consistency between the NekNek results and those produced by regular Nek5000 simulation. The presented work demonstrates the readiness and flexibility of the related CFD techniques, which is part of the broader effort to leverage cutting-edge CFD to inform the advanced nuclear reactor designs.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2023

Preliminary Neutronics Design and Analysis of the Fast Modular Reactor

General Atomics is developing a new 100-MW(thermal) fast modular reactor (FMR) that provides safe, carbon-free electricity and is capable of incremental capacity additions. The modular design allows it to be factory built and assembled onsite to keep the capital cost low, while the use of dry cooling facilitates siting to complement renewables in nearly any location. The FMR uses high-assay low-enriched uranium-dioxide fuel encapsulated by recognized irradiationresistant silicon carbide composite (SiGA®) cladding that is derisked in the current accident-tolerant fuel program. The FMR fuel assembly is a hexagonal fuel bundle of 120 fuel rods. The total length of the fuel assembly is less than 4 m, with an active fuel length of 1.8 m. The fuel assemblies are configured in an annular core that is located and supported by the reactor internals. The coolant material is helium at a normal operating pressure of 7 MPa. The core is surrounded by zirconium silicide (Zr 3 Si 2 ) and graphite reflector blocks. The fuel, coolant, internals, and reflectors are contained within a reactor pressure vessel. Here, the preliminary nuclear design and analysis established the arrangement of the active core and reflector blocks. The nuclear design analyses of the FMR defined the design parameters, such as fuel enrichments, excess reactivity, fueling scheme, fuel cycle, power distribution, and control rod worth. The preliminary conceptual design determined the three-batch fueling scheme with the allowable total power peaking factor of 1.5. The average discharge burnup is 100 GW days per ton of uranium.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

Modeling fast ion losses due to tearing and internal kink perturbations in MAST-U

Fast ion (FI) loss properties in the presence of tearing mode and internal kink perturbations are numerically investigated for discharges in the MAST-U spherical tokamak, utilizing the MARS-F magnetohydrodynamic stability code and the REORBIT test particle guiding-center orbit-following module. Here, tracing about 100 000 particle markers sampled from the equilibrium distribution of the neutral-beam injection induced FIs, it is found that about 10% out of the total strike the limiting surface (including the divertor surface) in MAST-U discharge 46943, assuming a maximum perturbation of 100 G inside the plasma (corresponding to ~6 G at the Mirnov probe location at the outboard mid-plane). Detailed particle tracing, assuming a uniform initial distribution in the 2D phase space (at given radial locations), reveals that initially counter-current FIs launched near the plasma edge are subject to significant prompt losses, while almost all initially co-current ions remain well confined at the assumed perturbation level. Most lost FIs strike the lower-half of the limiting surface. Finite gyro-radius effects prevent lost ions from striking the top-outer corner of the super-X divertor chamber. A scan of the perturbation level (based on discharge 45163) reveals, not surprisingly, an approximately linear scaling of the particle loss fraction (for counter-current FIs) with respect to the perturbation amplitude.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Disorder-induced heating as a mechanism for fast neutral gas heating in atmospheric pressure plasmas

Abstract Recent findings suggest that ions are strongly correlated in atmospheric pressure plasmas if the ionization fraction is sufficiently high ( ≳ 10 − 5 ). A consequence is that ionization causes disorder-induced heating (DIH), which triggers a significant rise in ion temperature on a picosecond timescale. This is followed by a rise in the neutral gas temperature on a longer timescale of up to nanoseconds due to ion–neutral temperature relaxation. The sequence of DIH and ion–neutral temperature relaxation suggests a new mechanism for ultrafast neutral gas heating. Previous work considered only the case of an instantaneous ionization pulse, whereas the ionization pulse extends over nanoseconds in many experiments. Here, molecular dynamics simulations are used to analyze the evolution of ion and neutral gas temperatures for a gradual ionization over several nanoseconds. The results are compared with published experimental results from a nanosecond pulsed discharge, showing good agreement with a measurement of fast neutral gas heating.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Intensified Tpx3Cam, a fast data-driven optical camera with nanosecond timing resolution for single photon detection in quantum applications

Here we describe a fast data-driven optical camera, Tpx3Cam, with nanosecond scale timing resolution and 80 Mpixel/sec throughput. After the addition of intensifier, the camera is single photon sensitive with quantum efficiency determined primarily by the intensifier photocathode. The single photon performance of the camera was characterized with results on the gain, timing resolution and afterpulsing reported here. The intensified camera was successfully used for measurements in a variety of applications including quantum applications. As an example of such application, which requires simultaneous detection of multiple photons, we describe registration of photon pairs from the spontaneous parametric down-conversion source in a spectrometer. We measured the photon wavelength and timing with respective precisions of 0.15 nm and 3 ns, and also demonstrated that the two photons are anti-correlated in energy.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Performance assessment of PHITS simulations for the inverse-kinematic p( 7 Li,n) 7 Be reaction based on fast-neutron measurements with a diamond detector

The inverse-kinematics p( 7 Li,n) 7 Be reaction produces forward-focused neutron emission, offering enhanced usable flux and reduced shielding requirements. Reliable simulation of such neutron fields is essential for the development of compact accelerator-based neutron sources. In this study, a PHITS-based simulation framework for the reaction was experimentally assessed using fast-neutron measurements. Forward-directed neutrons were measured with a diamond neutron detector and quantitatively compared with simulations with newly prepared IK-Frag cross-section file based on the proton-induced reaction data in ENDF/B-VIII.1, TENDL-2023, and JENDL-4.0/HE. Measurements and simulations were performed for incident 7 Li 3+ energies ranging from 15.0 to 25.0 MeV using a 50 μm-thick polypropylene target. For all conditions, the PHITS-based simulation framework reproduced the deposited energy spectra at the correct order of magnitude. The comparison of deposited energy spectra in the diamond detector showed high correlation coefficients across all investigated energies, indicating reasonable agreement in spectral shape between simulations and measurements. This work represents an initial step toward establishing a benchmark for PHITS simulations of the inverse kinematic reaction between an incident lithium-ion and a proton target.

43 PARTICLE ACCELERATORS↗
DOE OSTI2023

Improved ion heating in fast ignition by pulse shaping

The fast ignition paradigm for inertial fusion offers increased gain and tolerance of asymmetry by compressing fuel at low entropy and then quickly igniting a small region. Because this hotspot rapidly disassembles, the ions must be heated to ignition temperature as quickly as possible, but most ignitor designs directly heat electrons. A constant-power ignitor pulse, which is generally assumed, is suboptimal for coupling energy from electrons to ions. Using a simple model of a hotspot in isochoric plasma, a novel pulse shape to maximize ion heating is presented in analytical form. Bounds are derived on the maximum ion temperature attainable by electron heating only. Moreover, arranging for faster ion heating allows a smaller hotspot, improving fusion gain. As a result, under representative conditions, the optimized pulse can reduce ignition energy by over 20%.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

A New Proposal Generalized Predictive Control Algorithm With Polynomial Reference Tracking Applied for Sodium Fast Reactors

This paper proposes a generalized predictive control (GPC) with constraints and orthonormal Laguerre functions using the simplified model of the primary system (reactor core and intermediate heat exchanger (IHX)) of a prototypical sodium fast reactor (SFR). This paper develops a multiple-input multiple-output (MIMO) GPC with input constraints able to track polynomial references of any degree applied in coolant temperature difference across the core and fractional power. The manipulated variables of the GPC-SFR are the reactivity and the sodium flow rate of the primary and secondary pipes. Moreover, orthonormal Laguerre functions and step down condition number techniques were also applied to avoid the numerical ill-conditioning issue in quadratic programming of large systems. Thus, a GPC type-2 was designed to control fractional power, coolant temperature difference across the core and sodium tank temperature of the SFR primary system when temperature references change according to a linear ramp after reaching their steady-state operation, sustaining 100% power operation on the reactor. In order to analyze the load tracking capability of the GPC-SFR type-2, the load following from 100% fractional power (FP) to 60% FP at 0.8% FP/min rate is simulated. Constraints on the rate of coolant temperature difference across the core and reactivity were applied for the design safety. For comparison criteria, this paper compares the GPC-SFR type-2 with the GPC-SFR type-1, i.e., standard model predictive control (MPC), to verify the viability and superior performance of the proposal regarding: (a) ramp-tracking capability of temperature and load; (b) the rejections of a reactivity disturbance of -1 cent and a secondary sodium inlet temperature disturbance of +10°F; and (c) a simulation with uncertainty in reactor design. The simulations show that the GPC-SFR type-2 overcome the GPC-SFR type-1 robustness and performance.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2022

A Fast-Response High-Accuracy Overvoltage Protection Circuit for Soft-Switching Current-Source Converters

Although voltage-source converters (VSCs) have been a focus of research for decades and are widely applied in numerous applications, they face great challenges in short-circuit failures, high dv/dt and electromagnetic interference (EMI), especially using wide bandgap devices. Instead, current-source converters (CSCs) are attracting increasing attention in recent years owing to their friendliness to short-circuit faults, improved EMI, etc. For CSCs, overvoltage is the most catastrophic failure since the semiconductor devices can hardly withstand an overvoltage for a short pulse. In this paper, a fast-response high-accuracy overvoltage protection (OVP) circuit is proposed to protect CSCs from overvoltage damage. It also features a small form factor, good noise-immunity, friendly retrofit capability, and no need for active switches. In this paper, the operating principle and design guideline of the proposed OVP circuit is introduced. Its effectiveness is validated in soft-switching solid-state transformer (S4T) at 500 V. In experiments, the voltage detection error of less than 5% and a propagation delay of fewer than 400 ns have been achieved.

30 DIRECT ENERGY CONVERSION↗