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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 1,351 records · Page 75
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Insights into Lithium-ion battery degradation and safety mechanisms from mesoscale simulations using experimentally reconstructed mesostructures

Battery performance, while observed at the macroscale, is primarily governed by the bicontinuous mesoscale network of the active particles and a polymeric conductive binder in its electrodes. Manufacturing processes affect this mesostructure, and therefore battery performance, in ways that are not always clear outside of empirical relationships. Directly studying the role of the mesostructure is difficult due to the small particle sizes (a few microns) and large mesoscale structures. Mesoscale simulation, however, is an emerging technique that allows the investigation into how particle-scale phenomena affect electrode behavior. In this manuscript, we discuss our computational approach for modeling electrochemical, mechanical, and thermal phenomena of lithium-ion batteries at the mesoscale. Here, we review our recent and ongoing simulation investigations and discuss a path forward for additional simulation insights.

25 ENERGY STORAGE↗
DOE OSTI2017

ICFA Beam Dynamics Newsletter

Electron beam ion sources technology made significant progress since 1968 when this method of producing highly charged ions in a potential trap within electron beam was proposed by E. Donets. Better understanding of physical processes in EBIS, technological advances and better simulation tools determined significant progress in key EBIS parameters: electron beam current and current density, ion trap capacity, attainable charge states. Greatly increased the scope of EBIS and EBIT applications. An attempt is made to compile some of EBIS engineering problems and solutions and to demonstrate a present stage of understanding the processes and approaches to build a better EBIS.

43 PARTICLE ACCELERATORS↗
DOE OSTI2019

Papers from the 62nd International Conference on Electron, Ion, and Photon Beam Technology and Nanofabrication

The International Conference on Electron, Ion, and Photon Beam Technology and Nanofabrication (EIPBN), commonly known as “three beams,” is the premier conference for the early dissemination of high-impact, high-quality information on the science and technology of nano-patterning and associated electron, ion, or photon-beam technologies (the three beams). The conference consistently brings together over 400 engineers and scientists in industry, academia, and government from all over the world to discuss interdisciplinary issues at the forefront of these areas. The attendees of EIPBN have organically grown into a community of researchers that span the globe. Our membership ranges from young students at the beginning of their career to senior members who have been attending for more than 60 years. The 62nd EIPBN was held in Wyndham Rio Mar Beach Resort and Spa, Puerto Rico from May 29 to Jun 1st, 2018.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Micro-tensile Properties of Fueled Irradiated AGR-2 TRISO-coated Particle Buffer, IPyC, and SiC Interlayer Regions

Tristructural isotropic (TRISO) coated nuclear fuel particles are proving to be a versatile fuel form for new reactor designs. Understanding the bounding strength and failure mode of each coating interface is important to both fuel quality evaluation and failure prediction. A mechanism of key significance is failure of the silicon carbide (SiC) layer to retain fission products due to incomplete tearing of the buffer layer. This is a two-step mechanism involving both mechanical failure in the buffer and inner pyrolytic carbon (IPyC) layers and degradation of the SiC layer through palladium silicides at the IPyC-SiC interface. However, the mechanical properties of TRISO particle coating layers have yet to be fully characterized due to the small dimension of TRISO fuel particles and high radioactivity. To investigate this mechanism, in situ micro-tensile properties of the buffer, IPyC, SiC, buffer-IPyC, and IPyC-SiC interlayer regions of fueled TRISO particles have been tested at both as-fabricated and irradiated conditions. Determination of the mechanical properties of these TRISO particle regions will lead to a better understanding of the SiC layer failure mechanism and enable progress towards TRISO fuel qualification.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Micro-Tensile Properties of Irradiated AGR-2 TRISO Fuel Pyrolytic Carbon (PyC) and Silicon Carbide (SiC) Coatings

Tristructural isotropic (TRISO) coated nuclear fuel particles are emerging as a versatile option for new reactor designs, with the silicon carbide (SiC) layer crucial for retaining fission products. However, the mechanical properties of TRISO coating layers, particularly after irradiation, are not fully understood due to their small size and high radioactivity. Recent in situ micro-tensile testing of various TRISO layers aims to better understand the SiC layer's failure mechanisms, advancing TRISO fuel qualification. These micro-tensile results will be presented.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Fracture Behavior Considerations for the TRISO Particle Matrix

To assess whether matrix fracture would result in an unacceptable loss of containment or confinement in TRISO fuel particles, it is crucial to evaluate the micro-tensile strength, fracture toughness, and irradiation effects on matrix materials. Current data must be comprehensive and validated for modeling fractures under various conditions. Relevant material properties surrounding matrix fracture will be discussed during the presentation.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Microtensile Specimen Analysis

No abstract, presentation is a review on AGR micro tensile specimen analysis for FY 2024.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Enabling stable and high-rate cycling of a Ni-rich layered oxide cathode for lithium-ion batteries by modification with an artificial Li⁺-conducting cathode-electrolyte interphase

Ni-rich LiNi 0.8 Co 0.1 Mn 0.1 O 2 (NCM811) cathodes are investigated to realize high energy density Li ion batteries for long life electric vehicle applications. However, capacity decay and thermal instability due to cathode-electrolyte interfacial degradation remain challenges that require sophisticated surface stabilization methods to address. Here, we propose a strategy, for the first time, to form an artificial Li + -conducting cathode-electrolyte interphase (ALCEI) on the NCM811 cathode surface using a nucleophilic reaction between polysulfides and vinylene carbonate (VC). Furthemore, the as-formed ALCEI layer simultaneously protects the NCM particles from electrolyte corrosion and facilitates Li + ion transport, thus enabling stable and high rate cycling of NCM811. As a result, the ALCEI-modified NCM811 cathode exhibits a high capacity (211.6 mA h g -1 at 0.1C), notable rate capability (134 mA h g -1 at 10C), and superior cycle stability (94.2% over 200 cycles at 1C). These results underscore the use of interfacial engineering in high voltage cathode material development and provide a feasible strategy for stabilizing Ni-rich cathode interfaces in practical Li ion battery applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Ion Exchange Column Thermal Modeling: Prevention of Process Effluent Boiling - 18577

The Savannah River Site treats and disposes of legacy high-level waste, which resulted from 60 years of nuclear material production, medical research, and other nuclear related work. Complex mixtures of soluble and insoluble solids occupy tanks of which the South Carolina Department of Health and Environmental Control recognizes as the single largest environmental risk state-wide. The risk is reduced through removal, treatment, and solidification of decontaminated salt waste. Presently, SRS decontaminates the soluble salt component of the waste, a solution containing actinides and cesium, via implementation of the Actinide Removal Process and the Modular Caustic Side Solvent- Extraction Unit. Caustic solvent extraction is set to increase in scale by late 2018, with startup of the newly constructed Salt Waste Processing Facility. In conjunction with Salt Waste Processing Facility startup, Savannah River Remediation has been tasked by the Department of Energy to demonstrate modular ion exchange technology. The Tank Closure Cesium Removal project aims to demonstrate the feasibility of modular ion exchange processes for future Department of Energy applications. The Tank Closure Cesium Removal system is scheduled to begin operation in mid-2018. Dissolved salt solution, or influent, will be fed through a filter and ion exchange columns in lead-lag configuration, producing effluent. The effluent is fed to a separate high-level waste tank, for future disposition at Salt-stone Production Facility. Once the demonstration project is complete, the loaded ion exchange columns will be purged, dried, and placed in interim safe storage, awaiting final disposition. The ion exchange media selected for the Tank Closure Cesium Removal system is Honeywell UOP IONSIV{sup C} R-9120. The media is a prime candidate for separation of cesium from radioactive high-level waste. UOP R-9120{sup C} is inorganic and has high capacity, selectivity, and affinity for cesium. During operation, influent is fed to the ion exchange columns, contacting UOP R-9210{sup C} packed within the media vessel. Contact initiates loading of isotopes, and given ample time the solid phase (ion exchange media) and solution achieve thermodynamic equilibrium. UOP R-9120{sup C} is a prime candidate for separation of cesium and dissolved fission products. Although the properties of UOP R-9120{sup C} are favorable for separation, the same properties lead to accumulation of a heat source in the ion exchange bed. Cesium-137 and its daughter product, barium-137 m, generate a clear majority of heat (i.e. ∼ 94%). During operation salt solution flows through each column and transports heat from the ion exchange bed. Once operation is terminated, the effluent contained within the porous bed volume becomes essentially static. In the absence of engineering controls, the heat generated may boil the effluent. Rapid vaporization of aqueous salt solution would lead to bed over pressurization. Over pressurization and an associated release of high-level waste would result in adverse impacts to human health and the environment. This paper focuses on modeling the heat transfer associated with the Tank Closure Cesium Removal system ion exchange column. The model evaluates the maximum heat generation and the associated radionuclide loadings that prevent boiling within of the media vessel, under no flow conditions. A safety significant control, maintaining loadings less than the established loading limit ensures associated impacts to human health and the environment are prevented. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

Interface-engineered (AlMnCoNiZn) 3 O 4 @PPy nanocomposites for superior lithium storage: Mechanism and performance

The practical application of graphite anodes in lithium-ion batteries (LIBs) is constrained by low specific capacity (372 mAh g -1 ) and sluggish kinetics. Here, to address these limitations, our present study focuses on high-entropy oxides (HEOs), which offer high theoretical capacity and structural stability. We synthesized spinel-structured (AlMnCoNiZn) 3 O 4 nanoparticles via a solution combustion method and fabricated an (AlMnCoNiZn) 3 O 4 @polypyrrole (PPy) nanocomposite through in-situ polymerization. Our electrochemical tests demonstrate that the PPy modification significantly enhances performance. While the pristine (AlMnCoNiZn) 3 O 4 delivered 445 mAh g −1 after 100 cycles at 100 mA g −1 and 350 mAh g −1 after 1000 cycles at 1000 mA g −1 , the (AlMnCoNiZn) 3 O 4 @PPy composite achieved 695 mAh g −1 after 100 cycles and maintained 675 mAh g −1 after 1000 cycles. Furthermore, the composite improved rate capacity at 1000 mA g −1 from 211 mAh g −1 to 403 mAh g −1 . This work highlights how conductive and flexible polymer modifications can dramatically improve the electrochemical properties of HEOs. The developed (AlMnCoNiZn) 3 O 4 @PPy composite provides a promising direction for designing advanced anodes to meet next-generation energy storage demands.

Anodes material↗
NASA NTRS1994

Cometary Coma Chemical Composition (C4) Mission

Cometary exploration remains of great importance to virtually all of space science. Because comets are presumed to be remnants of the early solar nebula, they are expected to provide fundamental knowledge as to the origin and development of the solar system as well as to be key to understanding of the source of volatiles and even life itself in the inner solar system. Clearly the time for a detailed study of the composition of these apparent messages from the past has come. A comet rendezvous mission, the Cometary Coma Chemical Composition (C4) Mission, is now being studied as a candidate for the new Discovery program. This mission is a highly-focussed and usefully-limited subset of the Cometary Rendezvous Asteroid Flyby (CRAF) Mission. The C4 mission will concentrate on measurements that will produce an understanding of the composition and physical makeup of a cometary nucleus. The core science goals of the C4 mission are 1) to determine the chemical, elemental, and isotopic composition of a cometary nucleus and 2) to characterize the chemical and isotopic nature of its atmosphere. A related goal is to obtain temporal information about the development of the cometary coma as a function of time and orbital position. The four short-period comets -- Tempel 1, Tempel 2, Churyumov-Gerasimenko, and Wirtanen -which all appear to have acceptable dust production rates, were identified as candidate targets. Mission opportunities have been identified beginning as early as 1998. Tempel I with a launch in 1999, however, remains the baseline comet for studies of and planning the C4 mission. The C4 mission incorporates two science instruments and two engineering instruments in the payload to obtain the desired measurements. The science instruments include an advanced version of the Cometary Ice and Dust Experiment (CIDEX), a mini-CIDEX with a sample collection system, an X-ray Fluorescence Spectrometer and a Pyrolysis-Gas Chromatograph, and a simplified version of the Neutral Gas and Ion Mass Spectrometer (NIGMS). Both of these instruments have substantial heritage as they are based on those developed for the CRAF Mission. The engineering instruments include a simplified Comet Dust Environmental Monitor (SCODEM) and a navigational Camera, NAVCAM. While neither of the instruments will be permitted to establish science requirements, it is anticipated that significant science return will be accomplished Radio science will also be included.

Carle, Glenn C.↗
DOE OSTI2016

Efficiencies of Eu{sup 3+} ions and hydrogen atoms as donors in ZnO thin films

The donor efficiencies of Eu{sup 3+} ions and hydrogen atoms in ZnO crystalline films were investigated with reference to that of Ga{sup 3+} ions. It was found that Eu{sup 3+} ions acted as extrinsic donors in ZnO:Eu films, yielding a resistivity of 1.8 × 10{sup −3} Ω cm at a doping level of 1 at. %. This value is comparable to one for intrinsic donors in undoped ZnO films. The conductivity was maintained as the deposition temperature was increased to 200 °C, and this is evidence for the contribution of extrinsic donors. Deposition of Ga-doped and Eu-doped ZnO films in an H{sub 2}O gas flow produced oxyhydrogenated ZnO:(Ga, H) and ZnO:(Eu, H) films in which the Ga{sup 3+} and Eu{sup 3+} donors were deactivated by oxidization. Nevertheless, hydrogen donors contributed to electrical conduction yielding a resistivity of 1 × 10{sup −2} Ω cm. Postannealing in an H{sub 2} gas ambient alleviated the excessive oxidization of the films and thereby reactivated the donor action of Ga{sup 3+} and Eu{sup 3+} ions, causing the resistivity to recover to 10{sup −3} Ω cm for ZnO:(Ga, H) and 10{sup −2} Ω cm for ZnO:(Eu, H). In contrast, vacuum annealing of ZnO:(Ga, H) and ZnO:(Eu, H) films increased resistivity through removal of hydrogen donors while not affecting the oxidized condition of the samples.

42 ENGINEERING↗
DOE OSTI2019

Ion Write Microthermotics: Programing Thermal Metamaterials at the Microscale

Considerable advances in manipulating heat flow in solids have been made through the innovation of artificial thermal structures such as thermal diodes, camouflages, and cloaks. Such thermal devices can be readily constructed only at the macroscale by mechanically assembling different materials with distinct values of thermal conductivity. Here in this paper, we extend these concepts to the microscale by demonstrating a monolithic material structure on which nearly arbitrary microscale thermal metamaterial patterns can be written and programmed. It is based on a single, suspended silicon membrane whose thermal conductivity is locally, continuously, and reversibly engineered over a wide range (between 2 and 65 W/m·K) and with fine spatial resolution (10-100 nm) by focused ion irradiation. Our thermal cloak demonstration shows how ion-write microthermotics can be used as a lithography-free platform to create thermal metamaterials that control heat flow at the microscale.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Memristive Ion Channel-Doped Biomembranes as Synaptic Mimics

Solid-state neuromorphic systems based on transistors or memristors have yet to achieve the interconnectivity, performance, and energy efficiency of the brain due to excessive noise, undesirable material properties, and nonbiological switching mechanisms. Here in this work, we demonstrate that an alamethicin-doped, synthetic biomembrane exhibits memristive behavior, emulates key synaptic functions including paired-pulse facilitation and depression, and enables learning and computing. Unlike state-of-the-art devices, our two-terminal, biomolecular memristor features similar structure (biomembrane), switching mechanism (ion channels), and ionic transport modality as biological synapses while operating at considerably lower power. The reversible and volatile voltage-driven insertion of alamethicin peptides into an insulating lipid bilayer creates conductive pathways that exhibit pinched current–voltage hysteresis at potentials above their insertion threshold. Moreover, the synapse-like dynamic properties of the biomolecular memristor allow for simplified learning circuit implementations. Finally, low-power memristive devices based on stimuli-responsive biomolecules represent a major advance toward implementation of full synaptic functionality in neuromorphic hardware.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Improved ion optics for introduction of ions into a 9.4-T Fourier transform ion cyclotron resonance mass spectrometer

Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometry provides unparalleled mass accuracy and resolving power.[1],[2] With electrospray ionization (ESI), ions are typically transferred into the mass spectrometer through a skimmer, which serves as a conductance-limiting orifice. However, the skimmer allows only a small fraction of incoming ions to enter the mass spectrometer. An ion funnel, originally developed by Smith and coworkers at Pacific Northwest National Laboratory (PNNL)[3-5] provides much more efficient ion focusing and transfer. The large entrance aperture of the ion funnel allows almost all ions emanating from a heated capillary to be efficiently captured and transferred, resulting in nearly lossless transmission.

42 ENGINEERING↗
DOE OSTI2021

Unraveling the hysteretic behavior at double cations-double halides perovskite - electrode interfaces

Despite over a decade of research on metal halide perovskites (MHPs) in the context of photovoltaic applications, understanding the nature of electronic and ionic processes associated with current-voltage (I-V) hysteretic behavior has been limited. Here, we explore the hysteretic behavior in (FAPbI 3 ) 0.85 (MAPbBr 3 ) 0.15 perovskite devices with lateral Cr electrodes by applying first order reversal curve (FORC) bias waveform in I-V, Kelvin probe force microscopy (KPFM) measurements, and in-situ chemical imaging by time-resolved time-of-flight secondary ion mass spectrometry (tr-ToF-SIMS). In dark, we reveal pronounced hysteretic behaviors of charge dynamics in the off-field by probing time-dependent current and contact potential difference (CPD). Under illumination, transient and hysteretic behaviors are significantly reduced. The tr-ToF-SIMS results reveal that the hysteretic behaviors are strongly associated with accumulation of Br- ions at the interfaces. In addition, the low mobility MA + ions result in transient behavior and contribute to the hysteretic phenomena. It was shown that Pb 2+ ions can be reduced at the interfaces due to electrochemical reactions with the electrode in the presence of charge injection and photogenerated charges. Furthermore, these hysteretic behaviors associated with charge dynamics, ion migration, and interfacial electrochemical reaction are critical to further improve the performance and stability of MHPs photovoltaics and optoelectronics.

42 ENGINEERING↗
DOE OSTI2014

Seed-Mediated Growth of Gold Nanocrystals: Changes to the Crystallinity or Morphology as Induced by the Treatment of Seeds with a Sulfur Species

We report our observation of changes to the crystallinity or morphology during seed-mediated growth of Au nanocrystals. When single-crystal Au seeds with a spherical or rod-like shape were treated with a chemical species such as S₂O₃²⁻ ions, twin defects were developed during the growth process to generate multiply twinned nanostructures. X-ray photoelectron spectroscopy analysis indicated that the S₂O₃²⁻ ions were chemisorbed on the surfaces of the seeds during the treatment. The chemisorbed S₂O₃²⁻ ions somehow influenced the crystallization of Au atoms added onto the surface during a growth process, leading to the formation of twin defects. In contrast to the spherical and rod-like Au seeds, the single-crystal structure was retained to generate a concave morphology when single-crystal Au seeds with a cubic or octahedral shape were used for a similar treatment and then seed-mediated growth. The different outcomes are likely related to the difference in spatial distribution of S₂O₃²⁻ ions chemisorbed on the surface of a seed. This approach based on surface modification is potentially extendable to other noble metals for engineering the crystallinity and morphology of nanocrystals formed via seed-mediated growth.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗