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All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

The Distribution and Evolution of Quasar Proximity Zone Sizes

In this paper, we study the sizes of quasar proximity zones with synthetic quasar absorption spectra obtained by postprocessing a Cosmic Reionization On Computers (CROC) simulation. CROC simulations have both relatively large box sizes and high spatial resolution, allowing us to resolve Lyman limit systems (LLSs), which are crucial for modeling the quasar absorption spectra. We find that before reionization, most quasar proximity zone sizes grow steadily for ~10 Myr, while after reionization, they grow rapidly but only for ~0.1 Myr. We also find a slow growth of R obs with decreasing turn-on redshift. In addition, we find that ~1%–2% of old quasars (30 Myr old) display extremely small proximity zone sizes (<1 proper Mpc), the vast majority of which are due to the occurrence of a damped Lyα absorber (DLA) or an LLS along the line of sight. These DLAs and LLSs are contaminated with metal, which offers a way to distinguish them from the normal proximity zones of young quasars.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Alcock-Paczynski Blinding Scheme for the Ly-$α$ Forest Analysis

We present and validate a blinding method for the Lyman-$α$ (Ly$α$) forest analysis based on a modification of the Alcock-Paczynski test. In order to hide the background expansion history, the method employs a geometrical shift of each quasar (QSO) forest in wavelength space, once the quasar continuum has been fitted and the fluctuation field is extracted. The redshift positions for the QSO sample are also changed in a consistent manner. We show that the method remains effective when applied to real data, where contamination from metals and Lyman-$β$ is intrinsically mixed with the Lyman-$α$ forest. This limitation is primarily visible in the 1D correlation function, where other blinding strategies can mitigate the effect. To assess its effectiveness, the prescription is tested against a series of datasets of increasing complexity: from idealized low-noise mocks, to realistic DESI year one synthetic datasets, and finally to data from DESI first data release (DR1), using both the auto (Ly$α\times$Ly$α$) and cross (Ly$α\times$ QSO) correlations. We find that the method robustly shifts the BAO peak position from the 3D correlation functions to the expected value for cosmology changes of around 5% in the matter content, without altering the shape of the posteriors in the model parameters. In conclusion, this catalog-level blinding strategy is a viable method for cosmological inference with the Lyman-$α$ forest, particularly if a cross-analysis with other tracers using the same blinding strategy is pursued.

Perez-Sanchez, G. [Guanajuato U.] (ORCID:000900096↗
DOE OSTI2020

Evaluation of Gaseous Substrates for Microbial Immobilization of Contaminant Mixtures in Unsaturated Subsurface Sediments

Extensive vadose zone metals and organic contamination remains at many former industrial and defense manufacturing sites, and effective remedial solutions are needed to slow or prevent its migration to groundwater. In this study, the application of gaseous substrates to stimulate microbial respiratory reduction of comingled radioisotopes and nitrate under unsaturated conditions was examined for possible application at the Hanford Site, a former nuclear production facility in southeastern WA, USA. First, screening studies were performed to qualitatively measure the sediment respiratory response to 14 gaseous or volatile organic substrates at two moisture contents, 4% and 8%. Volatile substrates produced the strongest respiratory response, among them were butyrate, pentane, butyl acetate. Ethane and butane were the most effective gaseous substrates but only at 8% water content. Hanford sediment from two waste sites with distinctive chemistries were wetted to 7% moisture content, packed into columns, and treated with ethane or butane. After 4 weeks, columns were then leached to quantify retardation in the mobility of aqueous contaminant concentrations compared to no gas control columns. Treatment with both gases resulted in >80% removal of Cr from the aqueous phase. However, NO3 concentration and a waste sites exposure history to NO3 had a major effect on U and Tc reduction. Incomplete nitrate reduction outcompeted U and Tc in waste site sediments having limited prior exposure to NO3. Conversely, waste site sediments co-contaminated with NO3 were able to achieve highly reduced conditions resulting in complete denitrification of NO3, and delayed leaching of U and Tc. This implied effective reduction of both contaminants to less mobile species. This study demonstrates that unsaturated vadose sediments at Hanford waste sites have the capacity for a sustained respiratory response to gaseous substrate injection, which could potentially be deployed as part of an overall strategy to reduce the flux of long-lived radionuclides to groundwater at Hanford and other legacy waste sites.

Bagwell, Christopher E.↗
DOE OSTI2026

Innovative Biomonitoring and Remediation of Heavy Metals Using Phytotechnologies at the Savannah River Site (SRS) Coal Combustion Product (CCP) Impoundment Sites

The Savannah River Site (SRS) contains legacy coal combustion product (CCP) impoundments that are impacted by elevated concentrations of heavy metals and radionuclides, posing long-term risks to soil health, ecosystem functioning, and environmental sustainability. Traditional environmental monitoring approaches rely primarily on chemical analyses to quantify contaminant concentrations but often provide limited information regarding biological responses or ecosystem recovery. This project addressed these limitations by integrating environmental chemistry, microbial ecology, artificial intelligence (AI), and bioremediation into a comprehensive framework for environmental diagnostics and restoration of contaminated soils. The overarching goal of this collaborative project between Florida A&M University (FAMU) and the University of Georgia's Savannah River Ecology Laboratory (SREL) was to develop innovative biomonitoring and remediation strategies for heavy metal-contaminated CCP impoundment sites at the Savannah River Site. Specifically, the project sought to (i) characterize heavy metal contamination, (ii) determine microbial responses to contamination, (iii) isolate indigenous heavy metal-resistant microorganisms for remediation applications, (iv) develop a microbial ecological health index using machine learning, and (v) optimize fungal-mediated bioremediation using artificial intelligence.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2024

Fitness factors impacting survival of a subsurface bacterium in contaminated groundwater

Many factors contribute to the ability of a microbial species to persist when encountering complexly contaminated environments, including time of exposure, the nature and concentration of contaminants, availability of nutritional resources, and possession of a combination of appropriate molecular mechanisms needed for survival. Herein we sought to identify genes that are most important for survival of Gram-negative Enterobacteriaceae in contaminated groundwater environments containing high concentrations of nitrate and metals using the metal-tolerant Oak Ridge Reservation isolate, Pantoea sp. MT58 (MT58). Survival fitness experiments in which a randomly barcoded transposon insertion (RB-TnSeq) library of MT58 was exposed directly to contaminated Oak Ridge Reservation groundwater samples from across a nitrate and mixed metal contamination plume were used to identify genes important for survival with increasing exposure times and concentrations of contaminants, and availability of a carbon source. Genes involved in controlling and using carbon, encoding transcriptional regulators, and related to Gram-negative outer membrane processes were among those found to be important for survival in contaminated Oak Ridge Reservation groundwater. A comparative genomics analysis of 75 Pantoea genus strains allowed us to further separate the survival determinants into core and non-core genes in the Pantoea pangenome, revealing insights into the survival of subsurface microorganisms during contaminant plume intrusion.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Treatment of Problematic Reactive Metal Wastes Using GeoMelt ICV - WM2020 Conference Paper

Decommissioning of sodium-cooled reactors and fast reactor technologies has generated a number of reactive metal waste configurations that are problematic to treat and typically lack cost effective treatment methods and disposition options. As a result, Veolia Nuclear Solutions, under contract with Idaho National Laboratory (owned by the U.S. Department of Energy and managed and operated by Battelle Energy Alliance, LLC) demonstrated its GeoMelt® In-Container Vitrification (ICV)™ technology to safely convert sodium metal to a non-reactive vitrified oxide form. The demonstration project, supported by glass formulation and crucible testing, consisted of a series of ICV™ melts that processed elemental sodium into stable non-reactive glass. INL is currently implementing GeoMelt® technology as a means to safely and reliably convert radioactive reactive metal residues that contaminate sodium cooled reactor components into waste forms that comply with existing disposition pathways. Reactive metal wastes require treatment in order to remove the Resource Conservation and Recovery Act (RCRA) reactivity and ignitability characteristics to comply with land disposal restrictions. GeoMelt®, which is an alternative to other potential treatment approaches, provides a robust approach that chemically converts the reactive metals to an inert oxide while also immobilizing radionuclides in a vitrified waste form with durability equal to or better than vitrified nuclear fuel reprocessing wastes (very robust and inert waste forms). Most other treatment approaches generate hydrogen gas which is problematic. In 2016, Veolia Nuclear Solutions first demonstrated the effectiveness of the GeoMelt® ICV™ process in deactivating reactive sodium metal. Crucible, bench-scale, and engineering-scale demonstrations were conducted on several surrogate waste configurations with various ratios of sodium metal and glass-formers. Each ratio and configuration demonstrated complete deactivation of the surrogate sodium metal. Follow-on work in 2017 demonstrated the deactivation of reactive sodium by GeoMelt® ICV™ at a higher waste loading relative to previously demonstrated work performed in 2016; the higher waste loading optimized glass chemistry while enhancing the economical full-scale treatment of reactive metals. Additionally, follow-on demonstration testing in 2018 and 2019 focused on more complex shapes and other reactive-metals (mocked up Experimental Breeder Reactor II [EBR-II] subassembly, sodium filled heat exchanger, and a can containing sodium potassium alloy) which were all performed at engineering-scale. Since 2018, a 10-metric ton full-scale GeoMelt unit (GeoMelt® Richland) was designed, installed, and commissioned at Perma-Fix Northwest in Richland, Washington for the treatment of reactive metal wastes. As of September 2019, over 900 55-gallon drums containing a total of around 3,500 lb of sodium with low levels of radioactivity have been treated at GeoMelt ® Richland, with resulting glass monoliths disposed at the Nevada National Security Site (NNSS). A full-scale radiological demonstration melt on an actual EBR-II subassembly has also been performed using the full-scale melter in 2019. The GeoMelt® technology is a proven radioactive waste treatment technology capable of immobilizing radioactive wastes, including bulk rubble such as drums and other steel vessels usually without pretreatment. Utilizing the GeoMelt® technology to treat reactive metals eliminates pretreatment steps resulting from having to separate the reactive metal from steel containers or jackets as GeoMelt® can easily operate at temperatures sufficient to melt the steel and expose the reactive metal for treatment. Eliminating handling steps of reactive metals is a significant safety advantage since reactive metals are pyrophoric. The results generated as a part of the 2018-2019 demonstration program are presented in the paper.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Treatment of Problematic Reactive Metal Wastes Using the GeoMelt{sup R} In-Container Vitrification (ICV{sup TM}) Process - 20326

Decommissioning of sodium-cooled reactors and fast reactor technologies has generated a number of reactive metal waste configurations that are problematic to treat and typically lack cost effective treatment methods and disposition options. As a result, Veolia Nuclear Solutions, under contract with Idaho National Laboratory (owned by the U.S. Department of Energy and managed and operated by Battelle Energy Alliance, LLC) demonstrated its GeoMelt{sup R} In-Container Vitrification (ICV){sup TM} technology to safely convert sodium metal to a non-reactive vitrified oxide form. The demonstration project, supported by glass formulation and crucible testing, consisted of a series of ICV{sup TM} melts that processed elemental sodium into stable non-reactive glass. INL is currently implementing GeoMelt{sup R} technology as a means to safely and reliably convert radioactive reactive metal residues that contaminate sodium cooled reactor components into waste forms that comply with existing disposition pathways. Reactive metal wastes require treatment in order to remove the Resource Conservation and Recovery Act (RCRA) reactivity and ignitability characteristics to comply with land disposal restrictions. GeoMelt{sup R}, which is an alternative to other potential treatment approaches, provides a robust approach that chemically converts the reactive metals to an inert oxide while also immobilizing radionuclides in a vitrified waste form with durability equal to or better than vitrified nuclear fuel reprocessing wastes (very robust and inert waste forms). Most other treatment approaches generate hydrogen gas which is problematic. In 2016, Veolia Nuclear Solutions first demonstrated the effectiveness of the GeoMelt{sup R} ICV{sup TM} process in deactivating reactive sodium metal. Crucible, bench-scale, and engineering-scale demonstrations were conducted on several surrogate waste configurations with various ratios of sodium metal and glass formers. Each ratio and configuration demonstrated complete deactivation of the surrogate sodium metal. Follow-on work in 2017 demonstrated the deactivation of reactive sodium by GeoMelt{sup R} ICV{sup TM} at a higher waste loading relative to previously demonstrated work performed in 2016; the higher waste loading optimized glass chemistry while enhancing the economical full-scale treatment of reactive metals. Additionally, follow-on demonstration testing in 2018 and 2019 focused on more complex shapes and other reactive-metals (mocked up Experimental Breeder Reactor II [EBR-II] subassembly, sodium filled heat exchanger, and a can containing sodium potassium alloy) which were all performed at engineering scale. Veolia Nuclear Solutions designed, installed, and commissioned in September 2018, at Perma-Fix Northwest in Richland Washington, a 10-metric ton full-scale GeoMelt unit (GeoMelt{sup R} Richland) for the treatment of reactive metal wastes. As of September 2019, over 900 55-gallon drums containing a total of around 3,500 lb of sodium with low levels of radioactivity have been treated at GeoMelt{sup R} Richland, with resulting glass monoliths disposed at the Nevada National Security Site (NNSS). A full-scale radiological demonstration melt on an actual EBR-II subassembly has also been performed using the full-scale melter in 2019. The GeoMelt{sup R} technology is a proven radioactive waste treatment technology capable of immobilizing radioactive wastes, including bulk rubble such as drums and other steel vessels usually without pretreatment. Utilizing the GeoMelt{sup R} technology to treat reactive metals eliminates pretreatment steps resulting from having to separate the reactive metal from steel containers or jackets as GeoMelt{sup R} can easily operate at temperatures sufficient to melt the steel and expose the reactive metal for treatment. Eliminating handling steps of reactive metals is a significant safety advantage since reactive metals are pyrophoric. The results generated as a part of the 2018-2019 demonstration program are presented in the paper. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

In-Can Incineration and Vitrification Process for the Treatment of Transuranic Wastes - 20035

Technological alpha contaminated wastes are produced by the nuclear fuel cycle management industry, essentially from MOX fuel production units. These Plutonium Contaminated Materials (PCM) contain a mixture of organic, metal and mineral materials, contaminated with uranium, plutonium and americium. One treatment scenario under study is to incinerate the organic materials, melt the metallic fraction and incorporate the mineral fraction (including ashes from organics incineration) into a glass matrix without sorting or pretreatment (grinding for instance). A scale 1 pilot of this PIVIC process (Process for Incineration and Vitrification In Can) has been commissioned in 2018 at the CEA R and D vitrification facility in Marcoule site. A R and D program aiming to demonstrate the feasibility of this process is currently on going. This paper starts with a description of PIVIC process with explanation of the technologies involved. Then, main results of the first year of operation with the technological demonstration goal are presented. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Characterizing chemical abundance ratios in extremely metal-poor star-forming galaxies in DESI EDR

We present a search for galaxies in the local Universe with extremely low oxygen abundance, that is, more than 25 times lower than solar, which corresponds to 12 + log(O/H) < 7.3. To determine the oxygen abundance, we apply the directT e method for objects where the [O III]λ4363 line is detected. We identified 21 extremely metal-poor galaxies in the early data release of the Dark Energy Spectroscopic Instrument (DESI EDR), for some of which we also derived N/O, Ne/O, Ar/O, and S/O ratios. We find that many DESI galaxies with extremely low oxygen abundance exhibit a higher N/O ratio in comparison to the reference low-metallicity sample collected from the literature. We suggest that the elevation in N/O ratio may be explained by a contamination with metal-rich gas caused by gas inflow or a merger event. Moreover, contrary to some recent studies, we find that Ar/O and S/O ratios are enhanced as well, while the Ne/O ratio does not show such elevation. One of the galaxies, J0713+5608, has a remarkably low oxygen abundance of 6.978 ± 0.095 dex. This measurement aligns with the lowest known oxygen abundances in galaxies to date. Given the relatively high uncertainty, this galaxy may have the lowest oxygen abundance ever found. Additionally, J0713+5608 exhibited an enhanced N/O ratio compared to the typical N/O ratio observed in metal-poor galaxies within the local Universe.

Astronomy & Astrophysics↗
DOE OSTI2020

Study of an Unrefined Humate Solution as a Possible Attenuation-based Remedy for Uranium Contamination in Acidic Groundwater - 20351

The Savannah River Site (SRS), joined the environmental cleanup program in 1981 after the Cold War, and was designated as a hazardous waste management facility. About 1.8 billion gallons of acid wastes were disposed into the F/H Area Seepage Basin that included many radionuclides and dissolved metals, resulting in highly contaminated groundwater plumes with pH of 3 - 5.5. The acidity of the plumes contributes to the mobility of several constituents of concern (COC) such as H-3, U-238, I-129, and Sr-90 for the F-Area plume and H-3, Sr-90 and mercury for the H-Area plume. An active treatment (pump-and-treat and re-injection) system was constructed and put in place in 1997 to address the removal of metals and radionuclides from the contaminated groundwater. As remediation projects advanced, active treatments were transitioned to more passive or enhanced-passive approaches such as the subsurface barrier with base injection system, which has been controlling the mobility of contaminants. However, new and more efficient attenuation-based remedies are always sought. Several studies have proposed that humic substances can be used to remediate sites contaminated with heavy metals by creating a permeable reactive barrier. Humic substances (HS) are major components of soil organic matter. HS are polyfunctional organic macromolecules formed by the chemo-microbiological decomposition of biomass or dead organic matter. These substances are usually divided into three main fractions: humin (insoluble at all pH values), humic acid (soluble at pH greater than 3.5), and fulvic acid (soluble at all pH values). Humic substances are major components of the soil at SRS and, in addition, are also helpful in the removal process of uranium. This research focuses on uranium (VI), which is a key contaminant of concern in the F-Area groundwater plume. The interaction of uranium with sediment in the presence or absence of humic substances involves complex mechanisms that are not yet well understood. The interaction of U(VI) with humic substances can affect the adsorption of U on sediment, altering its mobility in the subsurface. The objective of this study is to study the mobility of uranium in the presence of humic acid and to determine if sediments amended by humic acid can enhance the sorption of heavy metals onto sediments. In this research, experiments were conducted using background (clean) F-Area aquifer sediments to understand and predict uranium mobility. A blended material, humate, containing both humic and fulvic acids and a chemically modified humate (KW15 modified humic or mod-HA) was studied as a possible amendment for uranium remediation in SRS groundwater. Batch experiments were conducted in triplicates using 20 ml of aqueous suspension in DI water containing SRS sediment and mod-HA and studied the effect of pH, kinetics of humate sorption onto SRS sediment and also studied the sorption of uranium onto mod-HA amended SRS sediment. Results indicate that mod-HA amended sediment increases uranium removal significantly. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

Wood combustion nanoparticles emitted by conventional and advanced technology cordwood boilers, and their interactions in vitro with human lung epithelial monolayers

Biomass-burning boilers and stoves are widely used in many parts of the world, producing combustion emissions linked with health risks. Here, combustion emission nanoparticles (NPs) were collected from four representative wood burning boilers using oak cordwood at specific times in the burn cycle. The morphology and composition of the NPs was characterized using transmission electron microscopy and energy dispersive X-ray analysis. To determine the degree of NP cytotoxicity with human lung tissue, the combustion NPs were introduced to incubated lung bronchial epithelial monolayers (NCI-H292) in vitro at doses of 0.1×10 -6 and 3.0×10 -6 kg/L for 2 and 4 h. Histochemical analysis showed that cell death increased by a factor of 3.5 for both doses after 4 h when compared to the control. Ultrapure NPs prepared by wet chemical methods were also introduced to the epithelial lung cells for similar doses and exposure times and the cultures exhibited significantly reduced mortality. Electron microscopy was used to study the mechanism of cell mortality for the synthesized and combustion-based NPs by examining how the NP byproducts interacted with individual cell organelles. It was found that cell survival was strongly correlated with the absence of contaminants (salts, heavy metals, poly aromatic hydrocarbons) associated with the NPs entering the cells. Synthesized NPs consisting of pure carbon were relatively well tolerated and could be excreted without damaging the cell ultrastructure. Thus, careful removal of extraneous contaminants by controlling the burn cycle with a catalyst is essential to minimize the health and environmental effects of wood biofuel combustion. In better words, optimized advanced technology wood-burning boilers and stoves can provide a CO 2 -neutral energy source and significantly contribute to a future where fossil fuels have a reduced role.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

Photometric calibration in u -band using blue halo stars

ABSTRACT We develop a method to calibrate u-band photometry based on the observed colour of blue Galactic halo stars. The Galactic halo stars belong to an old stellar population of the Milky Way and have relatively low metallicity. The ‘blue tip’ of the halo population – the main sequence turn-off (MSTO) stars – is known to have a relatively uniform intrinsic edge u-g colour with only slow spatial variation. In SDSS data, the observed variation is correlated with Galactic Latitude, which we attribute to contamination by higher metallicity disc stars and fit with an empirical curve. This curve can then be used to calibrate u-band imaging if g-band imaging of matching depth is available. Our approach can be applied to single-field observations at |b| > 30°, and removes the need for standard star observations or overlap with calibrated u-band imaging. We include in our method the calibration of g-band data with ATLAS-Refcat2. We test our approach on stars in KiDS DR 4, ATLAS DR 4, and DECam imaging from the NOIRLab Source Catalog (NSC DR2), and compare our calibration with SDSS. For this process, we use synthetic magnitudes to derive the colour equations between these data sets, in order to improve zero-point accuracy. We find an improvement for all data sets, reaching a zero-point precision of 0.016 mag for KiDS (compared to the original 0.033 mag), 0.020 mag for ATLAS (originally 0.027 mag), and 0.016 mag for DECam (originally 0.041 mag). Thus, this method alone reaches the goal of 0.02 mag photometric precision in u-band for the Rubin Observatory’s Legacy Survey of Space and Time (LSST).

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Recipe for coating ceramic blades for ion trapping

The first batches of ion traps patterned and coated were processed per the standard 3-step clean, air fire, and metallization processes. The third or fourth lot using this process resulted in poorly adhering metallization. Up until this point, the standard process was used to metallize and pattern ceramic ion traps without fail. At about the 4th batch of parts something changed. After the 5th batch, the ceramic ion traps received generally came with some unknown contamination that does not come off in a standard 3-step clean (Lenium Vapor Degreaser, Acetone, IPA) and air fire (860C for 1 hour) for which this process removes the vast majority of all contamination for most ceramic metallization. This is highly unusual. Using HF + Boiling H 2 O 2 is extreme for cleaning the ceramic ion traps. The contamination was never identified and is stubborn to effectively clean. Standard as-fired ceramic should be very easy to clean as if s fired at temperatures greater than 1400°C and not much in terms of contamination should exist at these temperatures, so there must be an intermediate step/process which is imparting this contamination. It is likely a polishing compound or previous polishing contaminant, but also not easily visually distinguishable until after metallization. The halo marks observed on parts might be fingerprints (less likely) or potential polishing marks (more likely) as metallization typically doesn't cover/hide any damage or contamination, but rather quite clearly the opposite, it accentuates it. Blotchy appearances in the metallization usually indicated an adhesion issue. As a result of the fragility of the parts (yield loss due to handling) and difficulty in identifying the contamination during cleaning, we have taken a conservative approach of HF + H 2 O 2 cleaning for all batches after the contamination and adhesion issues were identified.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Improved melt model for power flow

Accelerators that drive z-pinch experiments transport current densities in excess of 1 MA/cm 2 in order to melt or ionize the target and implode it on axis. These high current densities stress the transmission lines upstream from the target, where rapid electrode heating causes plasma formation, melt, and possibly vaporization. These plasmas negatively impact accelerator efficiency by diverting some portion of the current away from the target, referred to as “current loss”. Simulations that are able to reproduce this behavior may be applied to improving the efficiency of existing accelerators and to designing systems operating at ever higher current densities. The relativistic particle-in-cell code CHICAGO ® is the primary code for modeling power flow on Sandia National Laboratories’ Z accelerator. We report here on new algorithms that incorporate vaporization and melt into the standard power-flow simulation framework. Taking a hybrid approach, the CHICAGO® kinetic/multi-fluid treatment has been expanded to include vaporization while the quasi-neutral equation-of-motion has been updated for melt at high current-densities. For vaporization, a new one-dimensional substrate model provides a more accurate calculation of electrode thermal, mass, and magnetic field diffusion as well as a means of emitting absorbed contaminants and vaporized metal ions. A quasi-fluid model has been implemented expressly to mimic the motion of imploding liners for accurate inductance histories. For melt, a multi-ion Hall-MHD option has been implemented and benchmarked against Alegra MHD. This new model is described with sufficient detail to reproduce these algorithms in any hybrid kinetic code. Physics results from the new code are also presented. A CHICAGO ® Hall-MHD simulation of a radial transmission line demonstrates that Hall physics, not included in Alegra, has no significant impact on the diffusion of electrode material. When surface contaminant desorption is mocked in as a hydrogen surface plasma, both the surface and bulk-material plasmas largely compress under the influence of the j × B force. Similar results are seen in Alegra, which also shows magnetic and material diffusion scaling with peak current. Test vaporization simulations using MagLIF and a power-flow experimental geometry show Fe + ions diffuse only a few hundred µm from the electrodes, so present models of Z power flow remain valid.

43 PARTICLE ACCELERATORS↗
DOE OSTI2022

Plasma Processing for In-Situ Field Emission Mitigation of Superconducting Radiofrequency (SRF) Cryomodules

Field emission (FE) is one of the main limiting factors of superconducting radio-frequency (SRF) cavities operating in accelerators and it occurs whenever contaminants, like dust, metal flakes or even absorbates, are present on the surface of the cavity high electric field region. Field emission reduces the maximum achievable accelerating field and generates free electrons that may interact with the beam, damage or activate the beamline. One practical method that can be used to mitigate this problem is in-situ plasma cleaning, or plasma processing. The development of a processing that can be applied in-situ is extremely advantageous, since it enables the recovery of the cryomodule performance without the need of disassembling the whole cryomodule, which is an extremely expensive and time-consuming process. On the other hand, plasma processing only requires the cryomodule warm-up to room-temperature and the subsequent processing of the contaminated cavities. The entire process is reasonably quick and involves a limited number of personnel. For these reasons we would like to advocate for continuing to invest in the R&D of plasma processing to optimize its applicability in cryomodules and for extending the technique to other frequency ranges and cavities geometries.

43 PARTICLE ACCELERATORS↗
DOE OSTI2023

An innovative approach for atrazine electrochemical oxidation modelling: Process parameter effect, intermediate formation and kinetic constant assessment

Water reuse for irrigation activities is becoming a crucial worldwide challenge due to the depletion of water sources. Anyway, agricultural drainage can potentially contain dangerous contaminants such as metals, pesticides, and herbicides, including atrazine. To address the need for agriculture wastewater purification, we investigated atrazine removal from simulated wastewater by electro-oxidation using platinum-coated titanium electrodes on a lab-scale experimental apparatus. The effects of electrolyte composition and concentration, i.e. ionic strength and applied current density on atrazine removal, were investigated. The results demonstrated that the electrochemical oxidation of the herbicide occurred through two routes, depending on the presence or absence of oxidizing chlorine species. The generation of intermediates during the treatment was monitored and quantified by evaluating the effect of an inert electrolyte (NaClO 4 ) versus an oxidizable chlorine species (NaCl). In both experimental conditions, five intermediates were identified, including desethyl-atrazine (DEA), hydroxyatrazine (ATZ-OH), desisopropyl-atrazine (DIA) and desethyl-desisopropyl-atrazine (DEDIA). A degradation mechanism and a model for describing hydroxyl radicals and active chlorine species contributions at ATZ oxidation were also proposed. Intermediate evolution profiles suggest that ATZ degradation can be considered as a series–parallel reaction system. Finally, the energy requirement assessment for ATZ removal was carried out. The highest ATZ removal (≅98%) was achieved with NaCl = 0.08 M, J = 60 A/m −2 , and E C = 5.83 kWh m −3 . Results highlight that atrazine removal was improved when an active chlorine species (NaCl) was present in the water solution. Moreover, the addition of chlorine species during electro-oxidation is an energy-saving strategy. Collectively, electro-oxidation technique can be efficiently applied to treat polluted water in order to meet the needs of recycling water quality and reduce resource consumption.

Electro-chemical oxidation↗