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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Characterization of hot-pressed von Alpen type NASICON ceramic electrolytes

The Na-ion conducting solid electrolyte NASICON is a promising solid state electrolyte (SSE) for use in Na based electrochemical systems. The effects of particle morphology and synthesis of von Alpen type NASICON via hot-pressing were investigated. Spray dried particles were shown to improve mechanical and electrochemical properties. X-ray diffraction, scanning electron microscopy, impulse excitation measurements, Vickers hardness, and impedance spectroscopy were used to correlate relationships between phase purity, microstructure, mechanical properties, and electrochemical properties. Scanning electron microscopy showed the presence of a glass phase as between 19.08% and 28.23% area percentage and a ZrO 2 phase between 0.46% and 3.51% area percentage in the hot-pressed samples. Impulse excitation showed elastic modulus varying from 83.65 to 97.65 GPa. The first values of Poisson's ratio and shear modulus of NASICON are reported as between 0.23 and 0.26 and 33.87 to 38.79 GPa, respectively. Vickers hardness and fracture toughness measurements showed Vickers hardness ranging from 4.30 to 4.68 GPa and fracture toughness ranging from 1.05 to 1.09 MPa m ½ . Impedance spectroscopy showed grain conductivities ranging from 1.023 to 1.287 mS/cm, with grain boundary resistance percentages between 73.22 and 47.5%. Total conductivities ranged from 0.292 to 0.596 mS/cm, with 0.596 mS/cm being achieved at room temperature for the spray dried powders with lower grain boundary resistance percentages.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Impact of beam coupling impedance on crab cavity noise induced emittance growth

Crab cavities will be deployed as a part of the High Luminosity Large Hadron Collider (HL-LHC) upgrade to mitigate the luminosity reduction induced by the crossing angle at the main experiments (ATLAS and CMS). Two prototype crab cavities have been installed in the CERN Super Proton Synchrotron (SPS) in 2018 for studies with proton beams. An issue of concern is the transverse emittance growth induced by noise in the crab cavity radio frequency (rf) system, which is anticipated to limit the performance of the HL-LHC. In measurements conducted in the SPS in 2018, the crab cavity noise-induced emittance growth was measured to be a factor of 4 lower than predicted from the existing analytical models. In this paper, it is shown that the observed discrepancy is explained by damping effects from the beam coupling impedance, which were not included in the models up to now. Using the van Kampen mode approach, a new theory is developed, suggesting that the impedance can separate the coherent tune from the incoherent spectrum leading to an effective reduction of the crab cavity rf noise-induced emittance growth. This mechanism is validated in tracking simulations using the SPS impedance model as well as in dedicated experimental measurements conducted in the SPS in 2022. The implications for the HL-LHC project are discussed. Published by the American Physical Society 2024

Physics↗
DOE OSTI2022

Impacts of Solvent Washing on the Electrochemical Remediation of Commercial End-of-Life Cathodes

Changes to surface structure and chemistry occurring throughout the functional lifetime of lithium-ion batteries (LIBs) may impact the effectiveness of end-of-life rejuvenation methods. Solvent washing prior to electrochemical relithiation is shown to both increase relithiation efficacy and beneficially alter the interfacial chemistry of heavily degraded industrial cathode material. Four common solvents (acetone, diethyl carbonate, isopropyl alcohol, propylene carbonate) are employed to investigate the role of varying physicochemical solvent properties on the mechanism of capacity recovery. Electrochemical (dQ/dV, EIS), structural (XRD), and chemical (SPME-GC-MS) analysis techniques are employed to comprehensively analyze solvent-cathode interactions. Highly nucleophilic solvents (acetone, DEC) are found to reduce cathode charge-transfer impedance and enable stable impedance growth throughout subsequent cycling. The use of nucleophilic solvents under mechanically aggressive washing conditions may also enable the reintroduction of bulk lattice oxygen, thereby restoring anionic redox capacity. Further, the four solvents are found to selectively remove a subset of surface species from the aged cathode material, including residual electrolyte, additives, and electrolyte-additive reaction products, which are qualitatively analyzed. Surface species removal by each solvent is correlated with the electrochemical performance of the correspondingly washed cathode, highlighting the importance of an optimized washing protocol to effective remediation in the context of direct LIB recycling. For the material under study, the use of a simple acetone washing protocol prior to electrochemical relithiation enables up to 174% capacity recovery relative to unwashed/relithiated black mass.

ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2020

A Multidimensional Operando Study Showing the Importance of the Electrode Macrostructure in Lithium Sulfur Batteries

Lithium sulfur batteries are one of the most promising next-generation energy storage technologies, because of their impressive theoretical energy density, low materials cost, and relative safety. However, incomplete understanding of their underlying operation mechanisms has hindered their further development and commercialization. In this work, to gain a better understanding of the operation mechanisms in the lithium sulfur battery, three macroscopically different (woven and nonwoven) and microscopically similar (made from the same carbon fibers) free-standing carbon felts are used as the conductive matrices to show how the macrostructure influences the redox reactions and the electrochemical performance. Additionally, an operando radiography and simultaneous in situ electrochemical impedance spectroscopy study are performed to highlight the differences of the carbon hosts and how they compare electrochemically in a lithium sulfur battery. The electrochemical results show that the carbon host with a more open structure results in increased capacity as well as a higher diffusion coefficient. The operando radiography shows that the open structures are more conducive to efficient redox reactivity in forming solid sulfur species, mostly in the form of elongated needlelike structures identified as β-S8, near the end of charge, which is corroborated by the impedance data. The data also reveal a “breathing” mechanism, where the polysulfides are pushed to the edges during discharge and pulled back during charge. Furthermore, it is also revealed that the “breathing” process is a limiting factor in the high rate performance. Overall, this study shows that there is a close relationship between the macrostructure of the carbon matrix and the electrochemical performance of the sulfur cathode.

25 ENERGY STORAGE↗
DOE OSTI2022

Identifying Hidden Li–Si–O Phases for Lithium‐Ion Batteries via First‐Principle Thermodynamic Calculations

SiO–based materials are promising alloys and conversion‐type anode materials for lithium‐ion batteries and are recently found to be excellent dendrite‐proof layers for lithium‐metal batteries. However, only a small fraction of the Li–Si–O compositional space has been reported, significantly impeding the understanding of the phase transition mechanisms and the rational design of these materials both as anodes and as protection layers for lithium‐metal anodes. Herein, we identify three new thermodynamically stable phases within the Li–Si–O ternary system (Li 2 SiO 5 , Li 4 SiO 6, and Li 4 SiO 8 ) in addition to the existing records via first‐principle calculations. The electronic structure simulation shows that Li 2 SiO 5 and Li 4 SiO 8 phases are metallic in nature, ensuring high electronic conductivity required as electrodes. Moduli calculations demonstrate that the mechanical strength of Li–Si–O phases is much higher than that of lithium metal. The diffusion barriers of interstitial Li range from 0.1 to 0.6 eV and the interstitial Li hopping serves as the dominating diffusion mechanism in the Li–Si–O ternary systems compared with vacancy diffusion. These findings provide a new strategy for future discovery of improved alloying anodes for lithium‐ion batteries and offer important insight towards the understanding of the phase transformation mechanism of alloy‐type protection layers on lithium‐metal anodes.

Qu, Jiale↗
DOE OSTI2026

Analysis of vapor diffusion Nb$^{3}$Sn coating at Fermilab: Minimizing impurities using TOF-SIMS

Nb₃Sn demonstrates steady advancements nowadays offering reduced power cost in superconducting radio-frequency cavities due to its high critical temperature, quality factor, and achieved accelerating gradient. However, theoretical estimates of its radio-frequency parameters have not been achieved due to several potentially limiting mechanisms: tin spots, patchy regions, defects, thermal impedance, and impurities. While some of these limitations have been intensively studied, impurity analysis in Nb$_3$Sn coatings have received less attention. We report an investigation of impurities in several vapor-diffused Nb₃Sn coated samples using time-of-flight secondary ion mass spectroscopy (TOF-SIMS) and show allowable impurity levels in view of superconducting cavity performance. Challenges and lessons learned in maintaining clean Nb$_3$Sn coatings are also discussed.

Tagdulang, Nikki [Fermilab]↗
DOE OSTI2025

Challenges of Vapor Diffusion $Nb_3Sn$ Coating at Fermilab: Minimizing Impurities Using TOF-SIMS

Nb$_3$Sn demonstrates steady advancements nowadays offering reduced power cost in superconducting radio-frequency cavities due to its high critical temperature, quality factor, and achieved accelerating gradient. However, theoretical estimates of its radio-frequency parameters have not been achieved due to several potentially limiting mechanisms: tin spots, patchy regions, defects, thermal impedance, and impurities. While some of these limitations have been intensively studied, impurity analysis in Nb$_3$Sn coatings have received less attention. We report an investigation of impurities in several vapor-diffused Nb$_3$Snn coated samples using time-of-flight secondary ion mass spectroscopy (TOF-SIMS) and show allowable impurity levels in view of superconducting cavity performance. Challenges and lessons learned in maintaining clean Nb$_3$Sn coatings are also discussed.

Tagdulang, N. [Fermilab]↗
DOE OSTI2024

An additively manufactured near-eutectic Al-Ce-Ni-Mn-Zr alloy with high creep resistance

A new additively manufactured (AM) Al-7.5Ce-4.5Ni-0.4Mn-0.7Zr (wt.%) near-eutectic alloy is reported, which shows unprecedented creep resistance up to 400 °C (a homologous temperature of 0.72). The eutectic solidification microstructure comprises ~ 27 vol% of coarsening-resistant second phase network with an ultrafine (<100 nm) inter-phase spacing. Both Mn and Zr contribute to creep resistance of the alloy. Small amount of Mn addition promotes selection of coarsening resistant phases without compromising the alloy processability. Zr not only improves hot-tearing resistance, but further enhances the second phase coarsening resistance resulting in improved creep resistance. Neutron diffraction performed during creep deformation reveals that the underlying mechanism for creep resistance in this alloy is impedance to dislocation motion stemming from the ultrafine eutectic solidification microstructure, whereas load transfer strengthening becomes less effective as the creep temperature increases. The second phase forms a continuous network in the as-fabricated condition, which is maintained during long-term creep at 300 °C. However, this network is fragmented into fine dispersoids at higher temperatures. It is proposed that the rate-limiting deformation mechanism at 300–400 °C is (i) dislocation climb for the alloy with fragmented second phase dispersoids and (ii) Orowan looping for the alloy with a continuous second phase network. In conclusion, the present design of an AM-processable multicomponent eutectic alloy with high creep resistance can be applied to other metallic systems exhibiting eutectic reactions, with expected extreme creep resistance.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Interfacial Atomistic Mechanisms of Lithium Metal Stripping and Plating in Solid–State Batteries

All-solid-state batteries based on a Li metal anode represent a promising next-generation energy storage system, but are currently limited by low current density and short cycle life. Further research to improve the Li metal anode is impeded by the lack of understanding in its failure mechanisms at lithium–solid interfaces, in particular, the fundamental atomistic processes responsible for interface failure. Here, using large-scale molecular dynamics simulations, the first atomistic modeling study of lithium stripping and plating on a solid electrolyte is performed by explicitly considering key fundamental atomistic processes and interface atomistic structures. In the simulations, the interface failure initiated with the formation of nano-sized pores, and how interface structures, lithium diffusion, adhesion energy, and applied pressure affect interface failure during Li cycling are observed. By systematically varying the parameters of solid-state lithium cells in the simulations, the parameter space of applied pressures and interfacial adhesion energies that inhibit interface failure during cycling are mapped to guide selection of solid-state cells. Furthermore, this study establishes the atomistic modeling for Li stripping and plating, and predicts optimal solid interfaces and new strategies for the future research and development of solid-state Li-metal batteries.

25 ENERGY STORAGE↗
DOE OSTI2023

Friction stir welding of thick 7175 aluminium alloy plates for deepwater riser applications

To substantially reduce the cost of extracting petroleum from ultra-deepwater sources, manufacturing risers from 7175 aluminium (Al) alloys rather than steels is being considered. Friction stir welding (FSW), a solid-phase joining technique, is widely applied to 7XXX Al alloys because its mechanical properties are retained within the nugget zone. And, the primary technical objective of the current study is the development of high-strength, corrosion-resistant weldments that connect 7175 Al riser flanges and pipes. However, as the welding thickness increases, the welding speed can be greatly impeded, which lowers the manufacturing efficiency and weakens the mechanical properties in the heat affected zone (next to the nugget). Therefore, obtaining high-performance thick plate 7175 Al alloy joints via FSW is challenging. To overcome this dilemma, the current work optimises the tool design and welding parameters for achieving high-performance joints between 25.4 mm thick 7175 Al alloy plates in butt joint configuration.

Wang, Tianhao↗
DOE OSTI2026

Transcriptomic and functional analyses uncover a conserved effector driving genotype-dependent virulence in the Sphaerulina musiva-Populus trichocarpa interaction

The introduction of invasive microbes compromises the structure, biodiversity, and function of naïve ecosystems. Sphaerulina musiva, a hemibiotrophic pathogen that causes leaf spot and stem cankers in Populus species, exemplifies an invasive fungal pathogen spread by human activities. However, the genetic mechanisms of pathogenicity and virulence are poorly understood, impeding mitigation strategies. We utilized RNA sequencing to identify fungal effectors linked to stem canker formation, informing the development of future strategies for effective disease management. Our analysis revealed 70 genes differentially expressed at 2 weeks and 110 genes at 3 weeks between inoculated trees and controls. Notably, the gene with the highest expression at 2 weeks and the second highest at 3 weeks was homologous to Extracellular protein 2 (Ecp2). Complementary genome-wide association studies linked sequence polymorphisms in this locus to phenotypic variation in disease severity. Infiltration of S. musiva Ecp2 into Populus trichocarpa leaves induced necrosis in susceptible genotypes. Gene disruption using a CRISPR-Cas9 RNP system resulted in a genotype-dependent reduction of stem canker and disease severity. Tracing the evolutionary history of this effector across the fungal kingdom, we uncovered clade-specific gene-family expansions and orthologs in new species. These findings raise questions about the function and adaptive significance of these gene families in fungal lifestyles. Our study provides the first tractable target for breeding resistant poplar genotypes, addressing the challenges of managing S. musiva and uncovering mechanisms that drive its virulence, and provides deeper insights into the evolutionary dynamics of a conserved small-secreted protein with a diversity of functions.

Sondreli, Kelsey L [Oregon State University]↗
DOE OSTI2021

The influence of electrochemical cycling protocols on capacity loss in nickel-rich lithium-ion batteries

The transition towards electric vehicles and more sustainable transportation is dependent on lithium-ion battery (LIB) performance. Ni-rich layered transition metal oxides, such as NMC811 (LiNi 0.8 Mn 0.1 Co 0.1 O 2 ), are promising cathode candidates for LIBs due to their higher specific capacity and lower cost compared with lower Ni content materials. However, complex degradation mechanisms inhibit their use. In this work, tailored aging protocols are employed to decouple the effect of electrochemical stimuli on the degradation mechanisms in graphite/NMC811 full cells. Using these protocols, impedance measurements, and differential voltage analysis, the primary drivers for capacity fade and impedance rise are shown to be large state of charge changes combined with high upper cut-off voltage. Focused ion beam-scanning electron microscopy highlights that extensive microscale NMC particle cracking, caused by electrode manufacturing and calendering, is present prior to aging and not immediately detrimental to the gravimetric capacity and impedance. Scanning transmission electron microscopy electron energy loss spectroscopy reveals a correlation between impedance rise and the level of transition metal reduction at the surfaces of aged NMC811. The present study provides insight into the leading causes for LIB performance fading, and highlights the defining role played by the evolving properties of the cathode particle surface layer.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Targeting Drugs Against Fibroblast Growth Factor(s)-Induced Cell Signaling

Background:: The fibroblast growth factor (FGF) family is comprised of 23 highly regulatedmonomeric proteins that regulate a plethora of developmental and pathophysiological processes,including tissue repair, wound healing, angiogenesis, and embryonic development. Binding ofFGF to fibroblast growth factor receptor (FGFR), a tyrosine kinase receptor, is facilitated by a glycosaminoglycan,heparin. Activated FGFRs phosphorylate the tyrosine kinase residues that mediateinduction of downstream signaling pathways, such as RAS-MAPK, PI3K-AKT, PLCγ, andSTAT. Dysregulation of the FGF/FGFR signaling occurs frequently in cancer due to gene amplification,FGF activating mutations, chromosomal rearrangements, integration, and oncogenic fusions.Aberrant FGFR signaling also affects organogenesis, embryonic development, tissue homeostasis,and has been associated with cell proliferation, angiogenesis, cancer, and other pathophysiologicalchanges. Objective:: This comprehensive review will discuss the biology, chemistry, and functions of FGFs,and its current applications toward wound healing, diabetes, repair and regeneration of tissues, andfatty liver diseases. In addition, specific aberrations in FGFR signaling and drugs that target FGFRand aid in mitigating various disorders, such as cancer, are also discussed in detail. Conclusion:: Inhibitors of FGFR signaling are promising drugs in the treatment of several types ofcancers. The clinical benefits of FGF/FGFR targeting therapies are impeded due to the activationof other RTK signaling mechanisms or due to the mutations that abolish the drug inhibitory activityon FGFR. Thus, the development of drugs with a different mechanism of action for FGF/FGFRtargeting therapies is the recent focus of several preclinical and clinical studies.

Pharmacology & Pharmacy↗
DOE OSTI2021

A BEAM SCREEN TO PREPARE THE RHIC VACUUM CHAMBER FOR EIC HADRON BEAMS: CONCEPTUAL DESIGN AND REQUIREMENTS

The Electron Ion Collider (EIC) Hadron Storage Ring (HSR) will use the existing Relativistic Heavy Ion Collider storage rings, including the superconducting magnet arcs [1]. The vacuum chambers in the superconducting magnets and the cold mass interconnects were not designed for EIC beams and so must be updated to reduce resistive-wall heating and to suppress e-clouds. To do so without compromising the EIC luminosity goal, a stainless steel beam screen with colaminated copper and a thin layer of amorphous carbon will be installed. This paper describes the main requirements that our solution for the hadron ring vacuum chamber needs to satisfy, including impedance, aperture limitations, vacuum, thermal and structural stability, mechanical design, installation and operation. The conceptual design of the beam screen currently under development is introduced.

43 PARTICLE ACCELERATORS↗
DOE OSTI2023

Electrochemical Response of Alkaline Batteries Subject to Quasi-Static and Dynamic Loading

We report electrochemical changes were successfully monitored through the coupling of external loading, electrochemical impedance spectroscopy (EIS), and distribution of relaxation times (DRT) analysis. The development of the testing methods allows for detailed observation of changes due to mechanical loading and distinguishes responses between different cell geometries. Comparison of the force vs displacement, voltage vs displacement, and distribution of relaxation times plots to the different cell geometries display failure modes specific to geometry as well as the impact of different loading profiles. Numerical modeling confirmed the movement within individual cells and predicted locations with the most deformation based on the external loading condition applied. The results gathered from combining mechanical loading, electrochemical response, and numerical modeling, yield a viable approach to establishing an improved understanding of the effects of mechanical loading on the electrochemical response of multiple battery geometries and the methods herein may be extensible to additional battery chemistries.

25 ENERGY STORAGE↗
DOE OSTI2021

Microwave impedance microscopy and its application to quantum materials

We report materials in which quantum mechanical effects lead to novel properties on the macroscopic scale are of interest both fundamentally and for applications. For such quantum materials, the ability to measure local conductivity and permittivity with nanoscale spatial resolution, minimal sample preparation, in a contact-free fashion and under a wide range of external conditions (such as temperature and magnetic field) is highly desirable. To this end, microwave impedance microscopy, a scanning probe technique that measures tip–sample admittance (inverse of impedance) in a non-contact geometry at microwave frequencies, has matured over the past decade to become a tool that can do just that. This Technical Review describes its fundamental working principles and practical implementations, discusses its application to a wide range of quantum materials, including correlated, topological and 2D van der Waals materials, and outlines future opportunities in expanding the capabilities of microwave impedance microscopy.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Lignin impairs Cel7A degradation of in vitro lignified cellulose by impeding enzyme movement and not by acting as a sink

Abstract Background Cellulose degradation by cellulases has been studied for decades due to the potential of using lignocellulosic biomass as a sustainable source of bioethanol. In plant cell walls, cellulose is bonded together and strengthened by the polyphenolic polymer, lignin. Because lignin is tightly linked to cellulose and is not digestible by cellulases, is thought to play a dominant role in limiting the efficient enzymatic degradation of plant biomass. Removal of lignin via pretreatments currently limits the cost-efficient production of ethanol from cellulose, motivating the need for a better understanding of how lignin inhibits cellulase-catalyzed degradation of lignocellulose. Work to date using bulk assays has suggested three possible inhibition mechanisms: lignin blocks access of the enzyme to cellulose, lignin impedes progress of the enzyme along cellulose, or lignin binds cellulases directly and acts as a sink. Results We used single-molecule fluorescence microscopy to investigate the nanoscale dynamics of Cel7A from Trichoderma reesei , as it binds to and moves along purified bacterial cellulose in vitro. Lignified cellulose was generated by polymerizing coniferyl alcohol onto purified bacterial cellulose, and the degree of lignin incorporation into the cellulose meshwork was analyzed by optical and electron microscopy. We found that Cel7A preferentially bound to regions of cellulose where lignin was absent, and that in regions of high lignin density, Cel7A binding was inhibited. With increasing degrees of lignification, there was a decrease in the fraction of Cel7A that moved along cellulose rather than statically binding. Furthermore, with increasing lignification, the velocity of processive Cel7A movement decreased, as did the distance that individual Cel7A molecules moved during processive runs. Conclusions In an in vitro system that mimics lignified cellulose in plant cell walls, lignin did not act as a sink to sequester Cel7A and prevent it from interacting with cellulose. Instead, lignin both blocked access of Cel7A to cellulose and impeded the processive movement of Cel7A along cellulose. This work implies that strategies for improving biofuel production efficiency should target weakening interactions between lignin and cellulose surface, and further suggest that nonspecific adsorption of Cel7A to lignin is likely not a dominant mechanism of inhibition.

09 BIOMASS FUELS↗
DOE OSTI2024

Effect of H + Exchange and Surface Impurities on Bulk and Interfacial Electrochemistry of Garnet Solid Electrolytes

Contact loss and current constriction pose significant challenges at the Li metal interface of solid-state batteries. For garnet-structured Li 7 La 3 Zr 2 O 12 (LLZO), these effects are amplified by Li + /H + exchange and surface contamination reactions, which lead to conductivity losses and poor Li wetting. In this study, we utilize a variety of surface treatment processes across 37 cells to selectively induce proton exchange and contamination reactions in LLZO. The resulting bulk and surface chemistry is systematically characterized and correlated to changes in electrochemical properties. Additionally, we combine impedance analysis and finite element method modeling to deconvolute sources of impedance contributions at the Li metal interface. Specifically, we show that constriction impedance at the Li metal interface arises not solely from voids, but also from ionically-resistive surface contaminants. Further, these findings emphasize the connection between ionic conductivity and constriction, demonstrating that micron-scale ionically-resistive components increase constriction even with identical contact geometries. Finally, we leverage our comprehensive dataset to highlight unstable overpotential growth as a failure mechanism, additionally showing that the phase of a cell’s impedance is a sensitive indicator for the onset of interfacial instability. Overall, this study clarifies the impacts of proton exchange and surface contamination on electrochemical properties at the Li|solid electrolyte interface and elucidates insights that are generalizable to other solid-state battery systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗