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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 577 records · Page 32
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Preliminary Transverse Shielding Analysis for the 1010-C RF Building

EIC is planning to construct a new building on the outer ring berm at 10 o’clock which will provide RF power to cryogenically-cooled beam line components in the electron and hadron storage rings. The distance of the building from the RHIC Tunnel and the amount of soil shielding required are the focus of this report. Siting the building closer to the RHIC Tunnel is desirable from an RF operations viewpoint since the waveguide runs and RF power losses will be minimized, but this may require the use of higher density shield materials, e.g., concrete, in addition to soil shielding. The radiological source terms are the prompt radiation hazards from the Hadron Storage Ring (HSR) and Electron Storage Ring (ESR) beam losses in the 10 o’clock sector and the lateral dose rates propagated through the shields. See Figure 1 below.

43 PARTICLE ACCELERATORS↗
DOE OSTI2025

Analog Signal Multiplexing System for the IOTA Proton Injector

he Fermilab Accelerator Science and Technology (FAST) Facility at FNAL is a dedicated research and development center focused on advancing particle accelerator technologies for future applications worldwide. Currently, a key objective of FAST Opera-tions is to commission the 2.5 MeV IOTA Proton Injec-tor (IPI) and enable proton injection into the Integrable Optics Test Accelerator (IOTA) storage ring. The low and medium-energy sections of the IPI include four frame-style dipole trims and two multi-function cor-rectors with independently controlled coils, requiring readout of 32 analog channels for current and voltage monitoring in total. To reduce cost and optimize rack space within the PLC-based control system, a 32-to-4 analog signal multiplexing system was designed and implemented. This system enables real-time readback of excitation parameters from all magnetic correctors. This paper presents the design, construction, implementation, and performance of the multiplexing system.

MacLean, Daniel R. [Fermilab] (ORCID:0000000210103↗
DOE OSTI2020

Radiation tolerant microstructured three dimensional semiconductor structure

According to one embodiment, a product includes an array of three dimensional structures, a cavity region between each of the three dimensional structures, and a first material in contact with at least one surface of each of the three dimensional structures. In addition, each of the three dimensional structures includes a semiconductor material, where at least one dimension of each of the three dimensional structures is in a range of about 0.5 microns to about 10 microns. Moreover, the first material is configured to provide high energy particle and/or ray emissions.

25 ENERGY STORAGE↗
DOE OSTI2023

High event rate analysis technique for the dual-axis duo-lateral position-sensitive silicon detectors of FAUST

The dual-axis duo-lateral (DADL) position-sensitive silicon detector was developed to obtain precise position and energy information for detected charged particles. The Forward Array Using Silicon Technology (FAUST) is currently equipped with 68 DADL detectors backed by CsI(Tl) scintillators for the study of charged particle correlations in heavy-ion collisions where precise position and energy information is essential. When conventional signal processing electronics were used for the DADL detectors, a position dependence of the measured energy as well as distortions in the calculated particle positions were observed. In previous work, waveforms from the detector after preamplification were studied to better understand the features that give rise to these distortions; therein, a waveform analysis technique was developed to improve the energy resolution and linearity in position reconstruction. However, the reading and writing of waveforms for an entire detector array limits data collection rates and adds significant burden in data storage and analysis speed. In this work, the integrators of a Struck SIS3316 ADC were utilized to process 228 Th source data to develop and optimize a new analysis method that captures the benefits of the waveform analysis technique while circumventing the waveform writing requirement. This integrator method – capable of 59 keV (FWHM) energy resolution – was used in the collection of 35 MeV/nucleon 28 Si + 12 C collision data using FAUST to investigate exotic decays of highly excited highly deformed nuclei. In this data, a position resolution of 0.4 mm (FWHM) was obtained for 25 MeV α-particles; for α-particles near this energy that originate from 8 Be ground state decays, a 8 Be ground state width of 30 keV (FWHM) was obtained. The impact of the energy-dependent DADL position resolution emergent from electronic noise on the quality of excited state measurement was modeled and compared to the experimental data.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Vivianite oxidation is not photocatalyzed

Vivianite is a hydrous Fe2+ phosphate mineral found in anoxic environments that plays an integral role in P cycling and environmental biogeochemistry. Imbued in the vivianite literature dating as far back as 1918 is the notion that vivianite is light-sensitive and susceptible to rapid photooxidation induced entirely by solar light. However, despite an exhaustive search, to our knowledge this conventionally accepted assumption has never been directly tested, nor has the band gap ever been measured. Resolving this question of photochemical control of vivianite redox chemistry is important for performing and interpreting experiments involving vivianite reactivity with contaminants, and potentially iron and phosphate cycling in the photic zone of aquatic systems. The present study was specifically designed to add¬ress this question. Pure synthetic vivianite samples were irradiated in aqueous suspensions with a Xe lamp at conditions mimicking the solar spectrum and compared to dark controls. Particles stirred in anoxic suspensions for up to 66 days showed no detectable oxidation irrespective of light exposure, according to colorimetric Fe2+/Fe3+ assays, micro X-ray diffraction, and Raman spectroscopy. In contrast, the same experiment performed using air-equilibrated suspensions showed systematic oxidation of up to ~80% mol% Fe(II) at 66 days, but again with no detectable light exposure effect. To test for UV reactivity, further experiments on vivianite powders under air versus N2 atmosphere were performed using a Hg lamp with a longpass filter. In contrast to oxidation in air where no effect of light was detected, after 24 hrs irradiation anoxically, 0.78% Fe was oxidized compared to dark controls, and after 13 days only an additional 0.3% Fe was oxidized. The band gap of pure vivianite was measured by the Tauc method to be 3.5 eV. Contrary to previous reports, solar light has minimal impact on the oxidation of pure vivianite, insignificant in particular when compared to its relatively fast oxidation by oxygen exposure. As such, light does not need to be excluded when running typical vivianite laboratory experiments. Long-term storage of natural vivianite in museums or private collections should continue protective measures given that a possible photocatalytic role of impurities cannot yet be ruled out. Nonetheless, at all depths in natural aquatic systems it appears that the primary abiotic control on the reactivity and half-life of vivianite particles should be the dissolved oxygen concentration, not light exposure.

Vivianite, photochemistry, oxidation↗
DOE OSTI2024

Multiphysics Degradation Modeling of Energy Storage Materials via RKPM with a Neural Network-Enhancement

In energy storage materials, strong electrochemical-mechanical coupling and highly anisotropic material properties contribute to the formation and propagation of micro-cracking during charge/discharge cycling, resulting in reduced performance and service life. A coupled electro-chemo-mechanical reproducing kernel particle method (RKPM) formulation is developed, and a patch-test is formulated to certify optimal convergence of the proposed RKPM method for the coupled physics system. With microstructural images supplied by the National Renewable Energy Laboratory (NREL), pixel-based model construction by RKPM is then used to represent the complex material microstructures for modeling the coupled physics of these systems. Further, a neural network-enhanced reproducing kernel particle method (NN-RKPM) [1, 2] is introduced to effectively model damage and crack propagation in the material microstructures; the location, orientation, and solution transition near a localization are automatically captured by superimposed block-level NN optimizations. This NN enrichment approach allows for effective modeling of localizations via a fixed background discretization, relieving tedious efforts for adaptive refinement in traditional mesh-based methods. Applications to the heterogeneous microstructures of Li-ion battery cathodes will be presented to demonstrate the effectiveness of the proposed methods. Reference: [1] Baek, J., Chen, J. S., Susuki, K., "Neural Network enhanced Reproducing Kernel Particle Method for Modeling Localizations," International Journal for Numerical Methods in Engineering, Vol. 123, pp 4422-4454, https://doi.org/10.1002/nme.7040, 2022. [2] Baek, J., Chen, J. S., "A Neural Network-Based Enrichment of Reproducing Kernel Approximation for Modeling Brittle Fracture", Computer Methods in Applied Mechanics and Engineering Vol. 410, 116590, 2024.

electro-chemo-mechanical coupling↗
DOE OSTI2024

Image-based modeling of coupled electro-chemo-mechanical behavior of Li-ion battery cathode using an interface-modified reproducing kernel particle method

Abstract An interface-modified reproducing kernel particle method (IM-RKPM) is introduced in this work to allow for a direct model construction from image pixels of heterogeneous polycrystalline Li-ion battery microstructures. The interface-modified reproducing kernel (IM-RK) approximation is constructed through scaling of a kernel function by a regularized distance function in conjunction with strategic placement of interface node locations. This leads to RK shape functions with either weak or strong discontinuities across material interfaces, suitable for modeling various interface mechanics. With the placement of a triple junction node and distance-based scaling of kernel functions, the resulting IM-RK shape function also possesses proper discontinuities at the triple junctions. This IM-RK approximation effectively remedies the well-known Gibb’s oscillation in the smooth approximation of discontinuities. Different from the conventional meshfree approaches for interface discontinuities, this IM-RK approach is done without additional degrees of freedom associated with the enrichment functions, and it is formulated with the standard procedures in the RK shape function construction. This work focuses on identifying the accuracy and convergence properties of IM-RKPM for modeling the coupled electro-chemo-mechanical system. A linear patch test is formulated and numerically tested for the electro-chemo-mechanical coupled problem with a Butler–Volmer boundary condition representing the physical conditions in Li-ion battery microstructures. This is followed by verification of the optimal rates of convergence of IM-RKPM for solving the coupled problem with higher order solutions. The image-based modeling of Li-ion battery microstructures in the numerical examples demonstrates the applicability of the proposed method to realistic Li-ion battery materials modeling.

25 ENERGY STORAGE↗
DOE OSTI2022

Incorporating PCM-enabled thermal energy storage into 3D printable cementitious composites

This paper delineates the feasibility of incorporating microencapsulated phase change materials (mPCM) into 3D printable cementitious composite materials. A comprehensive experimental program was carried out to evaluate the impacts of mPCM on the printability, microstructures, mechanical and thermal properties of cementitious 3D printing ‘inks’. Results showed that the mPCM affected the printability of the cementitious ink material based on its physical properties (e.g., particle size) and volume loading – at lower volume loadings, mPCM increased the flowability of the cementitious ink material while leading to increased compressive strength and thermal conductivity for the hardened printed material. However, further increase in mPCM dosage led to a decrease in printability and, therefore, decrease in compressive strength and thermal conductivity as compared to the reference mixture. Here the results also showed that the inclusion of mPCM influence the printing parameters. In general, the inclusion of higher volume contents of mPCM necessitates a higher extrusion rate to achieve a desirable extrudability. Lastly, a thermal network model was formulated for 3D printed mPCM charged building components (e.g., wall). The study shows that microencapsulated PCM materials have good potential to be used in 3D printable cementitious mixtures for improving the thermal and energy performance of 3D printed buildings.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Application of electron backscatter diffraction techniques to quantify effects of aging on sub-grain and spatial heterogeneity in NMC cathodes

Identification and evaluation of structural heterogeneity in spent cathode materials is crucial to developing appropriate remediation strategies for novel recycling processes. Native heterogeneities may be exacerbated during the cell's operational lifetime, as sub-particle-scale variations induce anisotropic expansion and contraction upon cycling. Structural transformations resulting from repeated cycling and calendar aging predominantly occur at the secondary particle surface and at the grain boundaries (GBs) between primary particles. However, the diffusion and stress build up around and across GBs are poorly understood. In this study, electron backscatter diffraction (EBSD) is employed to track sub-grain lattice structure across a statistically relevant number of Li(Ni0.33Mn0.33Co0.33)O2 (NMC-111) particles. Specifically, differences in lattice misorientation – measured as the deviation from the grain's average orientation – are tracked as a function of position within the electrode (near current collector, middle, and near separator) and as a function of electrochemical cycling. Further, a novel method of structural analysis is developed, offering insight into sub-grain diffusion behavior by comparing lattice misorientation near the grain boundary versus in the grain bulk. The present results suggest that electrode-scale spatial heterogeneity in lattice structure is induced by initial manufacturing conditions, and that radial gradients in lattice misorientation evolve at the primary particle scale with repeated electrochemical cycling.

25 ENERGY STORAGE↗
DOE OSTI2022

Effect of Gd-doped ceria infiltration into Ni-YSZ on reversible solid oxide cell operation

Gadolinium doped ceria (GDC) infiltration into Ni-(Y 2 O 3 ) 0•08 (ZrO 2 ) 0.92 (Ni-YSZ) fuel electrodes has been shown to significantly improve solid oxide electrolysis cell performance and stability. However, the effects of GDC infiltration on cells operated reversibly between fuel cell and electrolysis modes have not been reported previously. Here we present reversible solid oxide cell life test results for different GDC infiltration loadings into Ni-YSZ electrodes in two types of fuel-electrode-supported solid oxide cells. Electrochemical impedance spectroscopy reveals that GDC infiltrant lowers the initial cell area specific resistance (ASR) and limits the degradation – for example, the GDC-infiltrated electrode ASR increased by 0.1 Ω cm 2 over 1000 h of reversible operation at ±0.5 A cm –2 and 800 °C, compared to 0.19 Ω cm 2 for non-infiltrated cells. Cell voltage degradation rates were reduced by infiltration during operation at a current density of ±0.5 A cm –2 at 800 °C, and during at 700 °C at ±0.75 A cm –2 . Furthermore, scanning electron microscopy observations show that the infiltrated GDC nanoparticles mitigate Ni particle coarsening in the Ni-YSZ electrode, possibly explaining the enhanced cell stability.

25 ENERGY STORAGE↗
DOE OSTI2020

Characterizing Performance of Electrocatalyst Nanoparticles Infiltrated into Ni-YSZ Cermet Anodes for Solid Oxide Fuel Cells

The infiltration of nanoparticle electrocatalysts into solid oxide fuel cell (SOFC) electrodes has been proven to produce a high density of electrochemically active sites, and reduce charge transfer polarization losses for SOFC electrodes. This is crucial for intermediate temperature operation, as these losses increase greatly at lower temperatures. Nickel-yttria stabilized zirconia (NiYSZ) cermets are low-cost, and exhibit excellent stability, but their main disadvantage stems from nickel coarsening and performance loss over their operational lifetimes. Infiltration of electrocatalyst nanoparticles has been shown to mitigate nickel coarsening and the consequent anode degradation. In this study, the effects of these infiltrants are observed in a standard Ni-YSZ electrode. In addition to nickel, mixed ionic and electronic conducting (MIEC) phases were infiltrated into Ni-YSZ scaffolds and their performances were characterized using electrochemical impedance spectroscopy (EIS). Cross-sectional microscopy of fractured cells was used to compare electrode microstructure and particle statistics. A model is proposed for how the nanoparticle electrocatalysts improve the anode performance.

25 ENERGY STORAGE↗
DOE OSTI2024

Adoption of ROOT RNTuple for the next main event data storage technology in the ATLAS production framework Athena

Since the start of LHC in 2008, the ATLAS experiment has relied on ROOT to provide storage technology for all its processed event data. Internally, ROOT files are organized around TTree structures that are capable of storing complex C++ objects. The capabilities of TTrees developed over the years and are now offering support for advanced concepts like polymorphism, schema evolution and user defined collections and ATLAS makes use of these features to handle its EDM. But some original TTrees concepts, like the POSIX file model and sequential writing, remain unchanged since the beginning and could be an obstacle to achieving the performance required for High Luminosity LHC. With the HL-LHC performance goals in mind, the ROOT project developed a new storage format - the RNTuple. RNTuple, with its accompanying user API, is now in the final development stage and is planned to be production-ready at the end of 2024. Soon after that, the TTree will become a legacy format. ATLAS intends to have its main Event processing framework Athena ready to use RNTuple in the production environment as early as possible. The work on adopting RNTuple as another ROOT storage technology in Athena started already in 2021 and is now nearly complete. Although the initial goal was to focus on derived-AOD products (PHYS and PHYSLITE), with a little added effort all ATLAS data products: RDO, HITS, ESD, AOD and DAOD can be now stored in RNTuple format and transparently read back. In this paper we will describe the current state of RNTuple adoption in the Athena framework and explain the ATLAS EDM requirements that had to be met on the ROOT side to successfully integrate both environments. We will demonstrate the ability to run standard ATLAS production workflows, based on RNTuple as the Event data storage technology, and point out key advantages of the new format.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Stable Cycling with Intimate Contacts Enabled by Crystallinity–Controlled PTFE–Based Solvent–Free Cathodes in All–Solid–State Batteries

All-solid-state batteries (ASSBs) employing Li-metal anodes and inorganic solid electrolytes are attracting great attention due to high safety and energy density for next-generation energy storage devices. However, the volume change of cathode active materials can cause contact loss, resulting in charge carrier isolation, heterogeneous current distribution, and poor electrochemical properties in ASSBs. Here, a simple, yet effective, solvent-free electrode engineering approach with polytetrafluoroethylene (PTFE) as a binder for ASSBs is reported, enabling intimate contact and stable interfaces with the cathode. It is substantiated that the crystallinity of PTFE can be controlled depending on the heat history, and highly crystalline PTFE displays robust mechanical properties. High-nickel LiNi 0.8 Mn 0.1 Co 0.1 O 2 cathode prepared with crystalline PTFE show improved cycle and rate performances in ASSBs. In addition, it is revealed that the intimate contact between cathode particles with a stable cathode electrolyte layer is maintained during cycling by postmortem studies. Furthermore, this simple engineering method can be applied to prepare cathodes with a variety of active materials and solid electrolytes in ASSBs.

25 ENERGY STORAGE↗
DOE OSTI2021

A Micrometer‐Sized Silicon/Carbon Composite Anode Synthesized by Impregnation of Petroleum Pitch in Nanoporous Silicon

Porous silicon (Si)/carbon nanocomposites have been extensively explored as a promising anode material for high-energy lithium (Li)-ion batteries (LIBs). However, shrinking of the pores and sintering of Si in the nanoporous structure during fabrication often diminishes the full benefits of nanoporous Si. Herein, a scalable method is reported to preserve the porous Si nanostructure by impregnating petroleum pitch inside of porous Si before high-temperature treatment. The resulting micrometer-sized Si/C composite maintains a desired porosity to accommodate large volume change and high conductivity to facilitate charge transfer. It also forms a stable surface coating that limits the penetration of electrolyte into nanoporous Si and minimizes the side reaction between electrolyte and Si during cycling and storage. A Si-based anode with 80% of pitch-derived carbon/nanoporous Si enables very stable cycling of a Si||Li(Ni0.5Co0.2Mn0.3)O 2 (NMC532) battery (80% capacity retention after 450 cycles). It also leads to low swelling in both particle and electrode levels required for the next generation of high-energy LIBs. In conclusion, the process also can be used to preserve the porous structure of other nanoporous materials that need to be treated at high temperatures.

anode materials↗
DOE OSTI2021

Demonstration of the On-the-Fly Shielding Analysis Method: Spent Fuel and Waste Disposition

This report documents work performed supporting the US Department of Energy (DOE) Office of Nuclear Energy (NE) Spent Fuel and Waste Disposition (SFWD) Integrated Waste Management activities under work breakdown structure element 1.08.02.04.01, “Data and Tools Development, Validation, and Maintenance.” In particular, this report fulfills milestone M3SF-21OR020401016, “Implement on-the-fly dose analysis methodology in UNF-ST&DARDS” within work package SF-21OR02040101, “Commercial SNF Characterization - ORNL.” The Used Nuclear Fuel - Storage, Transportation & Disposal Analysis Resource and Data System (UNFST& DARDS) enables automated dose rate calculations for spent nuclear fuel (SNF) transportation packages and storage casks using a Monte Carlo radiation transport code. The explicit method uses a detailed model of the SNF system and its contents. Therefore, a dose rate calculation is required for each as-loaded transportation package or storage cask because the SNF assemblies within a canister typically have unique irradiation characteristics. An alternate method, referred to as the “on-the-fly” shielding analysis method, has been proposed that requires only a set of Monte Carlo dose rate calculations for each transportation packaging/storage cask design. The results of the Monte Carlo dose rate calculations are independent of the SNF assembly irradiation and decay characteristics. The dose rate values may then be combined with the radiation source strength of the SNF assemblies associated with a particular transportation packaging/storage cask design to determine actual dose rates. This report presents on-the-fly dose rate calculations for a representative SNF storage cask and verification of the on-the-fly dose rate calculation results by comparison with reference dose rate calculations using the explicit Monte Carlo dose rate calculation. The on-the-fly shielding analysis method was implemented in UNF-ST&DARDS. A Python program was developed to process the MAVRIC dose rate results obtained by source particle type, energy group, and fuel geometry region. A Python processor created binary files, which were saved as a special UNF-ST&DARDS library for on-the- fly shielding analyses. UNF-ST&DARDS uses the precalculated on-the-fly binary libraries generated by the Python data processor and directly executes the Python code for on-the-fly dose analysis. This Python code unzips the pre-generated binary files mentioned above, reads the data, and combines them with user-specified sources for dose and uncertainty calculations. The Python programs were verified using Excel calculations and by comparison with the values obtained with the MAVRIC post-processing utilities applied to the 3dmap files. This method can currently be used to determine dose rates for as-loaded HI-STORM FW storage casks. The UNF-ST&DARDS analysis wizard for on-the-fly shielding analysis is described in this report.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Impact of secondary particle size and two-layer architectures on the high-rate performance of thick electrodes in lithium-ion battery pouch cells

Increasing lithium-ion battery gravimetric energy density to > 300 Wh/kg, while simultaneously meeting a cost target of $80/kWh, is of paramount importance to increasing the driving range and affordability of electric vehicles. One way to address this goal is to reduce inactive components by increasing electrode areal capacities, but conventional thick electrode designs typically perform poorly at high discharge rates due to Li + mass transport limitations. Here we compare the rate capability and cycle life of NMC 532/graphite pouch cells made with five different thick cathode and anode designs paired together in 25 combinations. We find that using different particle sizes to structure both the cathode and anode architectures in two-layer configurations results in a 2X capacity improvement over the worst-performing combination at high discharge rates (97 vs. 46 mAh/g at 2C). These different cathode/anode designs also translate to different cycle life performance, with many cells cycled at C/2 achieving ~80% capacity retention after 1000 cycles, and cells cycled at 2C showing different degrees of capacity fade. Altogether, these results demonstrate that simple, scalable changes in electrode design can significantly improve the performance of thick electrodes for high energy density batteries.

25 ENERGY STORAGE↗