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At least 757 records · Page 42
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Beam loss mechanisms in the PIP-II linac and beam transfer line at Fermilab

Beam loss in high-intensity H- linacs, such as the PIP-II linac at Fermilab, is a critical challenge that requires comprehensive study and understanding to ensure efficient and safe operation. This study explores the various beam loss mechanisms encountered in the PIP-II linac and its beam transfer line, drawing parallels from other high-intensity H- linacs. Key loss mechanisms include residual gas stripping, where H- ions interact with residual gas molecules leading to electron detachment; field stripping, caused by the interaction of H- ions with magnetic fields; and intra-beam stripping, resulting from interactions within the beam itself. Beam halo formation, particularly due to Twiss function mismatch, is another significant source of beam loss, which can be exacerbated by Landau damping mechanisms. Adhering to the 1 W/m loss criterion is essential to maintain hands-on maintenance capability and ensure the longevity of the accelerator components. By understanding these mechanisms and implementing targeted mitigation strategies, the PIP-II linac can achieve its design goals while maintaining safe and efficient operations.

43 PARTICLE ACCELERATORS↗
DOE OSTI2020

Novel Membrane and Electrodeposition-Based Separation and Recovery of Rare Earth Elements from Coal Combustion Residues (Final Report)

This project developed a hydrometallurgical-based technology to extract and concentrate rare earth elements (REEs) from a representative group of coal combustion residuals (CCRs) from major coal sources in the United States. The approach for REE recovery comprises two general components: (1) Leaching of REEs from CCRs and (2) Separation of REEs from other major ions in the CCR leachate. The leaching step entails acid leaching with nitric or hydrochloric acid, and in some cases, pretreatment of CCRs with alkaline roasting prior to acid leaching. The follow-up REE recovery steps involve a series of membrane-based methods to separate and concentrate rare earth ions from other major ions in acid leachates of CCRs. These methods include liquid emulsion membranes, supported liquid membranes and electrodeposition with carbon nanotube electrochemical filters. The advantage of these separation approaches (relative to conventional approaches such as solvent extraction) is a reduction in the usage of solvents and other costly chemicals and a reduction of hazardous waste products that are challenges in conventional REE separation methods. In the testing of our process, we selected a representative set of CCR samples from our collection and performed a suite of characterization measurements (total REE content and major mineralogy). The major results of this work demonstrated that heated acid leaching could efficiently extract REEs from PRB-based coal fly ashes while the Appalachian and Illinois Basin CCRs required alkaline roasting with NaOH prior to acid leaching at room temperature. The supported liquid membrane (SLM) configuration and electrochemical deposition (ED) system yielded the most promising methods of REE recovery from the acid leachates of fly ash. Our most concentrated product to date comprised 1 wt.% (dry basis) REEs produced from an Appalachian-based fly ash leached and purified by SLM. The SLM separation process was more selective for heavy REEs over the light REEs. When SLM was combined with ED, preliminary results demonstrated that a final product of >2 wt.% REEs was possible.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2024

Transfer Line at Fermilab

Beam loss in high-intensity H- linacs, such as the PIP-II linac at Fermilab, is a critical challenge that requires comprehensive study and understanding to ensure efficient and safe operation. This study explores the various beam loss mechanisms encountered in the PIP-II linac and its beam transfer line, drawing parallels from other high-intensity H- linacs. Key loss mechanisms include residual gas stripping, where H- ions interact with residual gas molecules leading to electron detachment; field stripping, caused by the interaction of H- ions with magnetic fields; and intra-beam stripping, resulting from interactions within the beam itself. Beam halo formation, particularly due to Twiss function mismatch, is another significant source of beam loss, which can be exacerbated by Landau damping mechanisms. Adhering to the 1 W/m loss criterion is essential to maintain hands-on maintenance capability and ensure the longevity of the accelerator components. By understanding these mechanisms and implementing targeted mitigation strategies, the PIP-II linac can achieve its design goals while maintaining safe and efficient operations.

Pathak, Abhishek↗
DOE OSTI2024

Fixed Source Sensitivity Calculations for Inertial Confinement Fusion Applications

A numerical code library was developed for the radiation transport code MCNP6.3 to calculate generalized response sensitivity coefficients for fixed source neutron transport problems with applications to inertial confinement fusion (ICF) experiments. The new MCNP6.3 dependency is used to generate a novel time convolution response that represents a neutron time-of-flight (nToF) signal. The traditional suite of macroscopic cross-section sensitivities and constrained fixed source probability distribution sensitivities are available for both the standard and the new response tallies in this library. However, novel sensitivity coefficients for the constrained hyperparameters of analytic fixed source probability distributions are emphasized in this work for their connection to ICF neutron transport models. Particularly, advanced Monte Carlo methods are developed for calculating the sensitivity of a nToF signal to perturbations in an ICF plasma’s ion temperature and burn history as well as perturbations in the target liner mass density and the shape parameters of the nToF detector’s impulse response function. Together, these capabilities form an advanced suite of computational tools that can be used to analyze and extract information from any ICF experimental platform.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Analytical nonadiabatic coupling and state-specific energy gradient for the crystal field Hamiltonian describing lanthanide single-ion magnets

Paramagnetic molecules with a metal ion as an electron spin center are promising building blocks for molecular qubits and high-density memory arrays. However, fast spin relaxation and decoherence in these molecules lead to a rapid loss of magnetization and quantum information. Nonadiabatic coupling (NAC), closely related to spin-vibrational coupling, is the main source of spin relaxation and decoherence in paramagnetic molecules at higher temperatures. Predicting these couplings using numerical differentiation requires a large number of computationally intensive ab initio or crystal field electronic structure calculations. To reduce computational cost and improve accuracy, we derive and implement analytical NAC and state-specific energy gradient for the ab initio parametrized crystal field Hamiltonian describing single-ion molecular magnets. Our implementation requires only a single crystal field calculation. In addition, the accurate NACs and state-specific energy gradients can be used to model spin relaxation using sophisticated nonadiabatic molecular dynamics, which avoids the harmonic approximation for molecular vibrations. To test our implementation, we calculate the NAC values for three lanthanide complexes. Finally, the predicted values support the relaxation mechanisms reported in previous studies.

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

Morphological and chemical characteristics of oxide scales formed on δ-Phase plutonium metal alloys I: 3.5 at% ga

Focused ion-beam scanning electron microscopy (FIB-SEM) and three-dimensional (3D) microscopy were applied to characterize the subsurface morphological features of oxide scales formed on an ~3.5 at.% Ga plutonium (Pu) metal alloy. Using the FIB-SEM technique, a number of morphological features formed in the interior of the oxide scale from Pu metal's environmental exposure were observed and identified. Here, Auger electron spectroscopy (AES) was utilized to characterize the cross-sectional composition and chemistry of the oxide scale. The oxide scale formed during inert storage and operational environments has a characteristic internal scale structure that includes a relatively dense oxide layer with some lateral and transverse cracking. Generally, after subsequent exposure to dry air environment, the oxide scale retained most of the original structural and chemical characteristics. However, after aging in a moist air environment, while the oxide scale was found to maintain the chemical characteristics of the source oxide, the scale was found to be on average thinner and without the previously observed internal microcracking, likely the result of spallation of the source scale during exposure to the new environment.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Project 18-15263 X-ray Studies of Interfacial Molecular Complexes in ALSEP Back-Extraction (Research Performance Final Report)

The objective of the project was to use synchrotron X-rays to measure the molecular-scale organization of extractants, complexants, buffers, and metal ions at the organic-aqueous (liquid-liquid) interface during solvent back-extraction under conditions relevant to ALSEP (Actinide-Lanthanide Separation Process). The capability of X-ray fluorescence near total reflection (XFNTR) was extended to explore the distribution of Eu(III) between the liquid-liquid interface and bulk organic and aqueous phases which contained extractants HDEHP (bis(2-ethylhexyl) phosphoric acid) and HEHEHP (2-ethylhexyl phosphonic acid mono-2-ethylhexyl ester), the complexant DTPA (diethylene triamine pentaacetic acid), and citric and nitric acids. Although an Am-compatible sample cell was developed, extending x-ray measurements of flat liquid-liquid interfaces to the actinide Am(III) did not prove to be possible within constraints imposed by the Advanced Photon Source. However, preliminary measurements with a drop cell may eventually provide a path forward to investigate Am(III) at a liquid interface. It was also demonstrated that competitive binding that occurs during back-extraction of lanthanide ions to either a phosphoric acid extractant (DHDP, di-hexadecyl phosphate) at the liquid interface or to complexant DTPA in the bulk aqueous phase could be reversibly tuned by X-ray exposure. Separately, X-ray measurements from the liquid-vapor interface explored the role of the aqueous solubility of HDEHP and HEHEHP and their interactions with a range of lanthanides and transition metal ions. Finally, the capability of X-ray absorption spectroscopy (EXAFS) was extended to probe metal ion coordination in lanthanide ion-extractant complexes at the liquid-vapor interface. Complementary to the specific interfacial systems studied during this project, the development of x-ray techniques expands our ability to understand ion ordering at liquid interfaces.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2026

Phase Transformation Enables Stable Cycling and Fast Charging of Cation-Disordered Rocksalt Cathodes

Developing high-capacity, long-life cathodes is critical to overcome the energy limitations of current Li-ion batteries. In this work, we report a Li-excess cation-disordered rocksalt (DRX) cathode, Li 1.167 Mn0.7Ti 0.133 O 1.8 F 0.2 (M 0.7 F 0.2 ), which demonstrates excellent electrochemical performance. This cathode delivers a capacity approaching 250 mAh g –1 and maintains 200 mAh g –1 over 200 cycles with an average discharge voltage of 3.1 V at 2 V cutoff. The formation of a spinel-like phase during cycling enables fast charging, achieving over 240 mAh g –1 at 2C for 100 cycles. Combined X-ray absorption spectroscopy and transmission electron microscopy reveal reversible electrochemical redox processes and stable Mn local structures during 2 V discharge. These results highlight the potential of DRX cathodes for next-generation Li-ion batteries and provide insights into strategies to overcome kinetic limitations and optimize the cathode-electrolyte interface.

25 ENERGY STORAGE↗
DOE OSTI2020

Probing Sources of Capacity Fade in LiNi 0.6 Mn 0.2 Co 0.2 O 2 (NMC622): An Operando XRD Study of Li/NMC622 Batteries during Extended Cycling

LiNi 0.6 Mn 0.2 Co 0.2 O 2 (NMC622) is one of the most promising Li-ion battery cathodes as it delivers high capacity at high potentials. However high potentials also lead to decreases in capacity retention where the disintegration of the secondary particles has been implicated as a major driving force of this capacity fade. This has been attributed to anisotropic lattice changes and increased microstrain during cycling. To probe how these factors affect capacity fade, Li/NMC622 batteries were cycled from 3-4.3 or 4.7 V and probed with operando X-ray diffraction over the 1st, 2nd, and 101st cycles. Further characterization with scanning electron microscopy, and inductively coupled plasmaoptical emission spectroscopy was also performed. The use of operando XRD over many cycles allowed for the collection of detailed structural information in real time over a time frame in which fading can be observed. During the first two cycles, the cells charged to 4.7 V exhibit increased anisotropic lattice changes as compared to the cells charged to 4.3 V. Upon the 101st cycle, when significant fade has been observed, the cells charged to 4.3 and 4.7 V show identical lattice changes to one another, while the 4.7 V charge limit induces more microstrain. This shows that elevated microstrain at high charge limits is a major driver for particle disintegration in NMC622 cathodes. This study provides important insights into the mechanisms of particle disintegration and capacity fade in NMC/Li-ion batteries, which will enable the design of NMC electrodes that deliver both higher capacities and exhibit better capacity retention.

25 ENERGY STORAGE↗
DOE OSTI2024

IsoForma: An R Package for Quantifying and Visualizing Positional Isomers in Top-Down LC-MS/MS Data

Proteoforms, the different forms of a protein with sequence variations including post-translational modifications (PTMs), execute vital functions in biological systems such as cell signaling and epigenetic regulation. Precisely defining the stoichiometry of PTMs has been challenging because, in the widely used bottom-up proteomics methods, the detection occurs at the peptide level and thus the link between peptides and their specific modification site is lost, resulting in proteoform ambiguity. Advances in top-down mass spectrometry (MS) technology have permitted the direct characterization of intact proteoforms and their exact number of modification sites, allowing for the relative quantification of positional isomers (PI). Proteins with positional isomers refers to proteoforms with identical total mass and set of modifications but varying PTM site combinations. The relative abundance of PI can be estimated by matching proteoform-specific fragment ions to top-down tandem MS (MS2) data to localize and quantify modifications. However, current approaches heavily rely on manual annotation. Here, we present IsoForma, an open-source R package for relative quantification of PI within a single tool. We benchmarked IsoForma’s performance against two existing workflows and highlight the similarity of the results and improvements in speed. Overall, IsoForma provides a streamlined process, reduces the time of conducting isoform-based analyses, and offers an essential framework for developing customized proteoform analysis workflows. Finally, the software is open source and available at https://github.com/EMSL-Computing/isoforma-lib.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

(Invited) Continuum Mathematical Modeling of Water Electrolysis: A Tutorial

Widespread use of hydrogen energy is contingent on the development of reliable and economical sources of hydrogen. Electrolysis from renewably-derived low-carbon electricity is a potentially viable method of hydrogen generation. Prime among the electrolysis technologies are those utilizing ion-conducting polymers (ionomers) including proton-exchange-membrane water electrolyzer (PEMWE). However, these technologies need to exhibit increased efficiency, performance, and durability to become commercially viable. Like most electrochemical devices, PEMWEs involve multiple components (e.g., catalyst, ionomer, transport layers, membrane, plates) and multiple phases, with phenomena occurring across different time and length scales. Furthermore, it is difficult to experimentally probe many of the species and phenomena during operation. Thus, mathematical modeling at the continuum level has been an invaluable aid in exploring, understanding, and optimizing PEMWE cell and components. Furthermore, this is especially true in the highly coupled and complex physics and chemistries that occur with the membrane-electrode assembly (MEA). The physics in a typical volume-averaged non-isothermal model include multiphase transport in porous media, concentrated-solution theory, Ohm's Law, and Butler-Volmer kinetics, and ion, gas, and water transport in the ionomer.

Dizon, Arthur↗
DOE OSTI2026

Python-EPICS RF Conditioning Automatic Control System at the Spallation Neutron Source

The RF Test Facility (RFTF) at the Spallation Neutron Source (SNS) is used for the conditioning of RF compo-nents such as ceramic vacuum windows and power cou-plers prior to their installation in the H- ion linear accel-erator. This process exposes components to high-power RF fields and thermal cycling to improve performance and remove surface impurities. To automate and optimize this process, a Python-based EPICS control system was developed alongside targeted hardware upgrades. The system enables real-time monitoring and control of RF power levels, temperature, and vacuum pressure. A user-friendly graphical interface was implemented using CS-Studio (Phoebus), allowing operators to adjust parameters and collect data efficiently. The system integrates a High-Power Protection Module (HPM) for interlocks based on vacuum and arc detection, ensuring safe operation. These upgrades have significantly improved the efficiency, accuracy, and safety of RF conditioning at the SNS RFTF. This paper describes the updated RF conditioning sys-tem, highlighting the software and hardware develop-ments and their application in support of the Proton Pow-er Upgrade (PPU) project.

Lee, Sung-Woo [ORNL] (ORCID:000000030915835X)↗
DOE OSTI2024

Molten sodium batteries: advances in chemistries, electrolytes, and interfaces

The need for clean, renewable energy has driven the expansion of renewable energy generators, such as wind and solar. However, to achieve a robust and responsive electrical grid based on such inherently intermittent renewable energy sources, grid-scale energy storage is essential. The unmet need for this critical component has motivated extensive grid-scale battery research, especially exploring chemistries “beyond Li-ion”. Among others, molten sodium (Na) batteries, which date back to the 1960s with Na-S, have seen a strong revival, owing mostly to raw material abundance and the excellent electrochemical properties of Na metal. Recently, many groups have demonstrated important advances in battery chemistries, electrolytes, and interfaces to lower material and operating costs, enhance cyclability, and understand key mechanisms that drive failure in molten Na batteries. For widespread implementation of molten Na batteries, though, further optimization, cost reduction, and mechanistic insight is necessary. In this light, this work provides a brief history of mature molten Na technologies, a comprehensive review of recent progress, and explores possibilities for future advancements.

25 ENERGY STORAGE↗
DOE OSTI2023

A confocal laser-induced fluorescence diagnostic with an annular laser beam

Here, in this work, we report an annular beam confocal laser-induced fluorescence (LIF) configuration, which allows for high spatial resolution measurements of plasma properties in plasma setups and sources with limited optical access. The proposed LIF configuration utilizes the annular laser beam generated by a pair of diffractive axicons. The LIF signal is collected along the main optical axis within the ring region. It is shown experimentally that at a focal distance of 300 mm, a spatial resolution of ~5.3 mm can be achieved. Using geometric optics estimations, we showed that ~1 mm resolution at the same focal distance could potentially be achieved by modifying laser beam parameters. This approaches the localization accuracy of conventional LIF collection methods (with crossing laser beam injection and fluorescence collection optical paths). Measurements of the ion velocity distribution function in an argon plasma using both the confocal LIF with an annular laser beam and conventional LIF demonstrate a satisfactory agreement. The proposed LIF setup has potential applications for diagnostics in various plasma processing equipment and plasma sources, such as hollow cathodes, microplasmas, electric propulsion, etc.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

At-source Recovery of Rare Earth Elements from Coal Mine Drainage

Conventional acid mine drainage (AMD) treatment consists of pH adjustment, oxidation, and separation of solid precipitates from discharge quality water. Alkaline addition increases the pH to the range 7 to 9 to precipitate the regulated metals Al and Mn ions as hydroxides. Mechanical or chemical oxidation then converts the reduced iron species Fe 2+ to Fe 3+ which precipitates at a low pH value as ferric hydroxide (Fe(OH) 3 ). Co-precipitation of Rare Earth Elements (REEs) with hydroxides creates a gangue-rich matrix from which REEs must be separated. Fe(OH)3 is generally the most abundant gangue-forming metal. Current research by the project team has shown raw, untreated AMD has an average total rare earth element content (TREE) of about 287 μg/L (0.287 ppm). Operators of AMD-producing facilities are obliged to treat it to neutralize acidity and remove regulated metals (e.g., iron (Fe), aluminum (Al), and manganese (Mn)) prior to discharge. Ongoing research indicates conventional AMD treatment concentrates TREE in resulting precipitates (AMD sludge) by an average factor of 2,635x to an average dry weight, elemental concentration of 708 g/t (ppm). While the economics of recovering REEs from AMD sludge are appealing, much of the cost of REE recovery would be incurred during separation of REEs from the gangue metals: Fe, Al, and Mn. Significant gains can be made by precipitating REEs when most of these gangue metals are still in solution. Significant improvements in REE extraction efficiency can be obtained through separation of REEs from the aqueous phase AMD, upstream of conventional AMD treatment by: 1) creating an enriched REE feedstock, 2) producing a more consistent feedstock, 3) reducing transportation costs to an REE refinery, 4) reducing acid consumption in the acid leaching step, and 5) reducing the volume of waste produced at the ALSX plant. This project is exploring two novel approaches for extracting REEs upstream of the conventional AMD treatment plants to create a purified REE feedstock while leaving the bulk of the Fe, Al, and Mn in solution for subsequent treatment. While the average TREE concentration of raw AMD is low and individual sites range between 10 and 2,200 μg/L, successful at-source REE separation will generate a superior feedstock to a conventional ALSX process and significantly improve the economics and environmental performance of REE extraction from AMD. AMD can be classified into two types: type A is net acid and iron is partly oxidized while type B is net alkaline, and iron occurs in the reduced, ferrous state. In Case A, the pH is raised slightly, which will precipitate Fe 3+ and Al 3+ but not REEs. The other important type of AMD is net alkaline water found in flooded, anoxic deep mines. These generally have a pH > 6.0 and are net alkaline. REE concentrations are also much lower than those found in acidic AMD while the volumes and flux are much higher. Most of these are pumped discharges with almost no Al. Case B AMD is strongly reduced and, like Case A water, Fe and Mn ions are similarly reduced and therefore soluble at pH <9.0. REEs and an array of transition ions will be the only trivalent cations in this type of AMD. In Case B, both upward pH adjustment under reducing conditions and application of an electrochemically stimulated supported liquid membrane strategy to separate REEs from ferrous ion will be explored.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2020

High-temperature thermal energy storage with thermophotovoltaic energy conversion (Final Report)

This project began with a simple concept: that thermal energy storage paired with thermophotovoltaic power conversion could be a cost-effective solution to the challenge of renewables variability. Renewable energy sources such as solar and wind energy are clean, affordable, and abundant worldwide, but their variability presents a major problem for the incorporation of a large amount of these resources in global power systems. Systems with high penetrations of renewables frequently see periods of overproduction, where renewable energy is thrown away, and periods of underproduction, where expensive and polluting fossil fuel resources must be used to fill in the gaps. While energy storage technologies such as lithium ion batteries can help store energy from times of overproduction to times the energy is needed, current and projected future prices for these technologies are not low enough to support very renewables-heavy power grids. The research also focused on the techno-economics of using thermal energy storage and thermophotovoltaics to store the energy from solar and wind energy sources when they are available and release this energy back to the grid when it is needed. One of the biggest outcomes of this research was the conclusion that battery prices must drop 10x from their current values in order to meet this need, and this is unlikely to happen with current technologies such as lithium ion batteries.

14 SOLAR ENERGY↗
DOE OSTI2023

Experiments on excitation of Alfvén eigenmodes by alpha-particles with bump-on-tail distribution in JET DTE2 plasmas

Dedicated experiments were performed in JET DTE2 plasmas for obtaining an α-particle bump-on-tail (BOT) distribution aiming at exciting Alfvén eigenmodes (AEs). Neutral beam injection-only heating with modulated power was used so that fusion-born α-particles were the only ions present in the MeV energy range in these DT plasmas. The beam power modulation on a time scale shorter than the α-particle slowing down time was chosen for modulating the α-particle source and thus sustaining a BOT in the α-particle distribution. High-frequency modes in the toroidicity-induced Alfven eigenmode (TAE) frequency range and multiple short-lived modes in a wider frequency range have been detected in these DT discharges with interferometry, soft x-ray cameras, and reflectometry. The modes observed were localised close to the magnetic axis and were not seen in the Mirnov coils. Analysis with the TRANSP and Fokker-Planck FIDIT codes confirms that α-particle distributions with BOT in energy were achieved during some time intervals in these discharges though no clear correlation was found between the times of the high-frequency mode excitation and the BOT time intervals. The combined magneto-hydrodynamic (MHD) and kinetic modelling studies show that the high-frequency mode in the TAE frequency range is best fitted with a TAE of toroidal mode number n= 9. This mode is driven mostly by the on-axis beam ions while the smaller drive due to the pressure gradient of α-particles allows overcoming the marginal stability and exciting the mode. The observed multiple short-lived modes in a wider frequency range are identified as the on-axis kinetic AEs predicted in Rosenbluth and Rutherford.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗