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At least 1,063 records · Page 59

Distribution and Charge State of Iron Impurities in Intentionally Contaminated Lead Halide Perovskites

Impurity contamination in thin-film solar cells remains an uncertain risk due to the little-known impact of impurities on recombination. Building upon previous work, in which we intentionally contaminated lead halide perovskite (LHP) solar cells with iron, we further examine the distribution and charge state of iron-induced defects in LHP films using synchrotron-based X-ray techniques. X-ray absorption measurements suggest that iron-rich regions, which form among iron feedstock concentrations that exceed 100 ppm, most closely resemble the chemistry of Fe 2 O 3 . Iron distributed within the bulk may form a mix of Fe 2+ and Fe 3+ , the latter of which is not expected to be recombination active, potentially allowing LHPs to incorporate more iron than traditional semiconductors. X-ray beam induced current measurements show little correlation between the presence of iron-rich regions and charge collection, which further suggests low recombination activity at these sites. In conclusion, these results further elucidate the recombination behavior caused by iron incorporation in LHP films, revealing insight into how inhomogeneous incorporation of impurities may mitigate photovoltaic performance degradation.

14 SOLAR ENERGY↗

Enhanced Machine-Learning Flow for Microwave-Sensing Systems for Contaminant Detection in Food

The presence of foreign bodies in packaged food is a serious concern for both fnal consumers (allergies, injuries, choking) and food manufacturers (reputation and economic losses). In particular, low-density plastics, glass and wood splinters are hard to detect even by the most advanced X-ray imagers. One solution is Machine-Learning-based Microwave Sensing (MLMWS): a non-invasive, contactless, and real-time method which uses a machine-learning (ML) classifer to analyze the scattered microwaves from the irradiated target object. In this paper, we want to extend our previous work about contaminant detection in cocoa-hazelnut spread jars by proposing an enhanced ML flow to increase the accuracy of the ML classifier. For the first time in this case study, we use a multi-class classifier, we train it with scattering parameters measured at multiple microwave frequencies, with a new pre-processing scaler, data augmentation, quantization-aware training and a pruning schedule. The results show a contaminant detection multi-class accuracy of 94.167% with a latency of 26 µs when targeting an AMD/Xilinx Kria K26 FPGA. Finally, we released our datasets publicly to OpenML.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Influence of Carbon and Microbial Community Priming on the Attenuation of Uranium in a Contaminated Floodplain Aquifer

The capacity for subsurface sediments to sequester metal contaminants, such as uranium (U), and retain them after bioremediation efforts are completed is critical to site stewardship. Sediments enriched in natural organic matter are capable of sequestering significant quantities of U, but may also serve as sources to the aquifer, contributing to plume persistence. Two types of sediments were compared to better understand the mechanisms contributing to the sequestration and release of U in the presence of organic matter. Artificially bioreduced sediments were retrieved from a field experimental plot previously stimulated with acetate while naturally bioreduced sediments were collected from a location enriched in organic matter but never subject to acetate amendment. Batch incubations demonstrated that the artificially bioreduced sediments were primed to rapidly remove uranium from the groundwater whereas naturally bioreduced sediments initially released a sizeable portion of sediment U before U(VI)-removal commenced. Column experiments confirmed that U release persisted for 65 pore volumes in naturally bioreduced sediments, demonstrating the sink-source behavior of this sediment. Acetate addition to artificially bioreduced sediments shifted the microbial community from one dominated by sulfate-reducing bacteria within Desulfobacteraceae to the iron-reducing family Geobacteraceae and Firmicutes during U(VI) reduction. In contrast, initial Geobacteraceae communities innaturally reduced sediments were replaced by clone sequences with similarity to opportunistic Pseudomonas spp. during U release, while U(VI) removal occurred concurrent with enrichment of Firmicutes. These investigations stress the importance of characterizing zones with heterogeneous carbon pools at U contaminated sites prior to the determination of a remedial strategy.

Artificially reduced Rifle sediments↗

Desorption and Co–Dissolution of Uranium–Bearing Solids During Alkalinity–Enhanced Flushing of Contaminated Sediments

Elevated uranium concentrations in groundwater remain a persistent challenge at contaminated sites. Several sites rely on natural flushing of uranium as a remediation strategy. Uncertainties in conceptual models can cause remediation strategies to underestimate timeframes required to reach remediation goals. In this study, laboratory experiments were conducted to investigate uranium flushing of sediments from a site with persistent groundwater contamination. Six columns were used to simulate alkalinity-enhanced flushing of uranium from sediments, by switching influent alkalinity after ~12 pore volumes. About 20% to 31% of sediment uranium was consistently flushed from the sediments. K d values varied greatly (5.3 to 117 L/kg) but were consistently lower (20% to 50%) during influents with elevated alkalinity. The mass of uranium recovered from the columns also was consistently higher (5% to 80%) during alkalinity-enhanced flushing periods. However, column experiments with sequentially increasing alkalinity showed diminishing returns in uranium elution at higher carbonate concentrations. The loss of flushing efficiency is attributed to significant calcite precipitation at higher alkalinities. Furthermore, the results show that alkalinity-enhanced flushing of uranium could be employed as a viable remediation scheme if calcite precipitation could be minimized in a field application.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Modeling and Analysis of Polarization Losses in Solid Oxide Fuel Cells with Siloxane Contamination

In this study, the degradation of the solid-oxide fuel cell (SOFC) nickel-yttria stabilized zirconia anode under decamethyltetrasiloxane (L4) contamination is examined with experiments and modeling. A model is developed for the polarization losses based on the charge transfer coefficient,α, and diffusion layer thickness,δ, and fitted to the experimental data to understand how the siloxane degrades the SOFC performance with time. The results of the model indicate that the total polarization losses increase approximately 44% over the course of the 180 min experiment at 350 mA cm −2 . Activation losses dominate the polarization losses initially but decrease in their total contribution while concentration losses increase. Scanning electron microscopy (SEM) with wavelength dispersive X-ray spectroscopy (WDS) elemental mapping indicates that silicon deposition is highest at the outer edge of the anode and forms a barrier layer to fuel diffusion, increasing concentration losses. When the model is applied to other previous D4 and L4 siloxane experiments conducted over a period of 40 h, similar trends in polarization losses are observed. Polarization losses increase more rapidly with D4 compared to L4 siloxane contamination, with concentration losses increasing the fastest with both types of siloxane.

Electrochemistry↗

Complete genome sequence of Pseudomonas stutzeri strain RCH2 isolated from a Hexavalent Chromium [Cr(VI)] contaminated site

Abstract Hexavalent Chromium [Cr(VI)] is a widespread contaminant found in soil, sediment, and ground water in several DOE sites, including Hanford 100 H area. In order to stimulate microbially mediated reduction of Cr(VI) at this site, a poly-lactate hydrogen release compound was injected into the chromium contaminated aquifer. Targeted enrichment of dominant nitrate-reducing bacteria post injection resulted in the isolation of Pseudomonas stutzeri strain RCH2. P. stutzeri strain RCH2 was isolated using acetate as the electron donor and is a complete denitrifier. Experiments with anaerobic washed cell suspension of strain RCH2 revealed it could reduce Cr(VI) and Fe(III). The genome of strain RCH2 was sequenced using a combination of Illumina and 454 sequencing technologies and contained a circular chromosome of 4.6 Mb and three plasmids. Global genome comparisons of strain RCH2 with six other fully sequenced P. stutzeri strains revealed most genomic regions are conserved, however strain RCH2 has an additional 244 genes, some of which are involved in chemotaxis, Flp pilus biogenesis and pyruvate/2-oxogluturate complex formation.

59 BASIC BIOLOGICAL SCIENCES↗

Impact of laser-contaminant interaction on the performance of the protective capping layer of 1w high-reflection mirror coatings

In this paper, high dielectric constant multilayer coatings are commonly used on high-reflection mirrors for high-peak-power laser systems because of their high laser-damage resistance. However, surface contaminants often lead to damage upon laser exposure, thus limiting the mirror’s lifetime and performance. One plausible approach to improve the overall mirror resistance against laser damage, including that induced by laser-contaminant coupling, is to coat the multilayers with a thin protective capping (absentee) layer on top of the multilayer coatings. An understanding of the underlying mechanism by which laser-particle interaction leads to capping layer damage is important for the rational design and selection of capping materials of high-reflection multilayer coatings. In this paper, we examine the responses of two candidate capping layer materials, made of SiO 2 and Al 2 O 3 , over silica-hafnia multilayer coatings. These are exposed to a single oblique shot of a 1053 nm laser beam (fluence ~10 J/cm 2 , pulse length 14 ns), in the presence of Ti particles on the surface. We find that the two capping layers show markedly different responses to the laser-particle interaction. The Al 2 O 3 cap layer exhibits severe damage, with the capping layer becoming completely delaminated at the particle locations. The SiO 2 capping layer, on the other hand, is only mildly modified by a shallow depression. Combining the observations with optical modeling and thermal/mechanical calculations, we argue that a high-temperature thermal field from plasma generated by the laser-particle interaction above a critical fluence is responsible for the surface modification of each capping layer. The great difference in damage behavior is mainly attributed to the large disparity in the thermal expansion coefficient of the two capping materials, with that of Al 2 O 3 layer being about 15 times greater than that of SiO 2 .

36 MATERIALS SCIENCE↗

Detection of uranyl fluoride and sand surface contamination on metal substrates by hand-held laser-induced breakdown spectroscopy

Here, a hand-held device for laser-induced breakdown spectroscopy has been investigated for the determination of uranyl fluoride surface contamination. This research demonstrates the ability to successfully detect uranium on surfaces when using a low resolving power (λ/Δλ=4000) spectrograph, with a 5 mJ energy per 1 ns pulsed laser radiation, available as a commercially packaged hand-held system. Sand/uranyl fluoride mixtures are prepared to simulate residue likely encountered during decontamination efforts at facilities that handle uranium hexafluoride. Detection limits are described for four uranium lines with one revealing the capability to detect uranium at a level of 250 parts per million. Lastly, advantages of the studied compact device include that location specific information can be obtained on-site to augment contamination identification.

36 MATERIALS SCIENCE↗

Interaction of short laser pulses with model contamination microparticles on a high reflector

The response of model contamination particles located on the surface of a multilayer dielectric mirror when exposed to 1053 nm laser pulses of 10 ps or 0.6 ps duration is investigated. Four different particle types were studied: stainless steel, borosilicate glass, polyethylene, and polytetrafluoroethylene, all having an average diameter of about 40 μm. Irradiation with one laser pulse caused particles to eject from the surface with an onset fluence in the range 5× to 100×, depending on the particle type, below the particle-free, laser-induced damage threshold of the mirror. Morphological analysis showed, however, that the ejection process always generated ablation craters and/or secondary contamination, both of which can degrade the performance of the optic during subsequent pulses. Here, ejection and damage mechanisms are discussed for each particle type.

47 OTHER INSTRUMENTATION↗

Uptake and speciation of zinc in edible plants grown in smelter contaminated soils

Heavy metal accumulation in edible plants grown in contaminated soils poses a major environmental risk to humans and grazing animals. This study focused on the concentration and speciation of Zn in different edible plants grown in soils contaminated with smelter wastes (Spelter, WV, USA) containing high levels of the metals Zn, Cu, Pb, Cd. Their accumulation was examined in different parts (roots, stem, and leaves) of plants and as a function of growth stage (dry seed, sprouting seed, cotyledon, and leaves) in the root vegetables radish, the leafy vegetable spinach and the legume clover. Although the accumulation of metals varied significantly with plant species, the average metal concentrations were [Zn] > [Pb] > [Cu] > [Cd]. Metal uptake studies were complemented with bulk and micro X-ray absorption spectroscopy (XAS) at Zn K-edge and micro X-ray fluorescence (μXRF) measurements to evaluate the speciation and distribution of Zn in these plant species. Dynamic interplay between the histidine and malate complexation of Zn was observed in all plant species. XRF mapping of spinach leaves at micron spatial resolution demonstrated the accumulation of Zn in vacuoles and leaf tips. Radish root showed accumulation of Zn in root hairs, likely as ZnS nanoparticles. At locations of high Zn concentration in spinach leaves, μXANES suggests Zn complexation with histidine, as opposed to malate in the bulk leaf. These findings shed new light on the dynamic nature of Zn speciation in plants.

59 BASIC BIOLOGICAL SCIENCES↗

Whole metagenome sequencing and 16S rRNA gene amplicon analyses reveal the complex microbiome responsible for the success of enhanced in-situ reductive dechlorination (ERD) of a tetrachloroethene-contaminated Superfund site

The North Railroad Avenue Plume (NRAP) Superfund site in New Mexico, USA exemplifies successful chlorinated solvent bioremediation. NRAP was the result of leakage from a dry-cleaning that operated for 37 years. The presence of tetrachloroethene biodegradation byproducts, organohalide respiring genera (OHRG), and reductive dehalogenase (rdh) genes detected in groundwater samples indicated that enhanced reductive dechlorination (ERD) was the remedy of choice. This was achieved through biostimulation by mixing emulsified vegetable oil into the contaminated aquifer. This report combines metagenomic techniques with site monitoring metadata to reveal new details of ERD. DNA extracts from groundwater samples collected prior to and at four, 23 and 39 months after remedy implementation were subjected to whole metagenome sequencing (WMS) and 16S rRNA gene amplicon (16S) analyses. The response of the indigenous NRAP microbiome to ERD protocols is consistent with results obtained from microcosms, dechlorinating consortia, and observations at other contaminated sites. WMS detects three times as many phyla and six times as many genera as 16S. Both techniques reveal abundance changes in Dehalococcoides and Dehalobacter that reflect organohalide form and availability. Methane was not detected before biostimulation but appeared afterwards, corresponding to an increase in methanogenic Archaea. Assembly of WMS reads produced scaffolds containing rdh genes from Dehalococcoides, Dehalobacter, Dehalogenimonas, Desulfocarbo, and Desulfobacula. Anaerobic and aerobic cometabolic organohalide degrading microbes that increase in abundance include methanogenic Archaea, methanotrophs, Dechloromonas, and Xanthobacter, some of which contain hydrolytic dehalogenase genes. Aerobic cometabolism may be supported by oxygen gradients existing in aquifer microenvironments or by microbes that produce O 2 via microbial dismutation. The NRAP model for successful ERD is consistent with the established pathway and identifies new taxa and processes that support this syntrophic process. This project explores the potential of metagenomic tools (MGT) as the next advancement in bioremediation.

59 BASIC BIOLOGICAL SCIENCES↗

Hemicellulose and starch citrate chitosan foam adsorbents for removal of arsenic and other heavy metals from contaminated water

Arsenic and other heavy metal contaminants in water are a significant global health threat. In this study, low-cost, sulfur-free, sustainable, water-insoluble materials with heavy metal remediation properties were produced from renewable resources such as starch, xylan, citric acid, and chitosan. Synthesized starch citrate-chitosan (SCC) foam and xylan citrate-chitosan (XCC) foam were flexible, porous, and elastic. The foams’ arsenic uptake in water was significantly greater than five different commercial metal remediating agents. The mercury and lead uptakes with the synthesized foams were similar to the performance of a commercial sulfur-based product, SorbaTech 450 (ST450). However, the cadmium and selenium uptakes were comparatively lower. The complexation of arsenic with oxygen and nitrogen of the SCC foam was shown with time-of-flight secondary ion mass spectrometry (TOF-SIMS). The XCC foam was also shown to adsorb potassium iodide (KI) at a similar rate to sodium chloride. This may be used to remediate water contaminated with radioactive materials, such as iodine 131.

Materials Science↗

Performance enhancement of medium temperature baked niobium SRF cavity by surface contamination removal

Medium temperature baking (300- 350 °C) enhances the quality factor of niobium superconducting radio frequency cavities. However, surface contamination introduced during vacuum furnace baking limits the quench field and may also degrade the quality factor of the cavity. To investigate this effect, a 1.3 GHz single-cell Nb cavity underwent mid-T baking, followed by a chemical treatment to remove the surface contaminants. Post-treatment measurements revealed a significant improvement in both the quality factor and the quench field.

Chouhan, Vijay [Fermilab] (ORCID:0000000282004931)↗

Real-time, in-situ detection of volatile profiles for the prevention of aflatoxin fungal contamination in pistachios

The objective in this project is to provide a proof of concept will demonstrate the feasibility of a Raman, in-situ warning system for detecting and removing developing fungal hot spots from pistachio stockpiles and transit containers, thus decreasing human health risks and product loss as a result of contamination. The proposed project has the following goals: to calibrate the Raman fingerprinting of biomarkers, standalone and in premixed samples, to build a database with the vibrational profiles distinctive to the signatures of the bouquet emitted by the contaminated pistachios; to test the improvement in the detection of the detectable markers with enhanced Raman on a small probe.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Unreviewed Disposal Question Evaluation: Disposal of the Oak Ridge National Laboratory Contaminated Debris at the Area 5 Radioactive Waste Management Site, Nevada National Security Site, Nye County, Nevada

This Unreviewed Disposal Question Evaluation (UDQE) assesses whether the Oak Ridge National Laboratory (ORNL) Contaminated Debris (ORNLDEBRIS001, Revision 11 [ORNL 2019a]) is suitable for shallow land burial (SLB) at the Area 5 Radioactive Waste Management Site (RWMS) on the Nevada National Security Site (NNSS). Disposal of the waste stream meets all performance objectives in U.S. Department of Energy (DOE) Manual DOE M 435.1-1, Radioactive Waste Management Manual, Chapter IV, Section P (DOE 2011). The ORNL Contaminated Debris waste stream is recommended for acceptance with conditions on the total activity disposed of tritium ( 3 H), niobium-94 ( 94 Nb), technetium-99 ( 99 Tc), cesium-137 ( 137 Cs), iridium-192 ( 192 mIr), radium-226 ( 226 Ra), uranium-234 ( 234 U), and 238 U. The total activity disposed shall not exceed the following limits: 3 H: 2E12 Bq, 94 Nb: 2E9 Bq, 99 Tc: 8E10 Bq, 137 Cs: 1E11 Bq, 192 mIr: 1E9 Bq, 226 Ra: 3E11 Bq, 234 U: 2E9 Bq, 238 U: 5E9 Bq.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

E-Beam Destruction of Contaminants in Water

Next-generation electron beam (E-beam) technology creates the potential to treat the complex and difficult waste streams of today and tomorrow. Fermi National Accelerator Laboratory brings 50 years of groundbreaking E-beam experience across technology research, innovation, and application to unlocking this potential from a capacity and cost perspective using proprietary Lab intellectual property. Fermilab’s technology will deliver a high throughput, portable, scalable, and cost-effective solution to a wide variety of contaminants. Potential applications include contaminants of increasing health, regulatory, economic, and public relations concerns.

43 PARTICLE ACCELERATORS↗

Mapping the Concentration Distribution of Contaminant Plumes to the Computational Grid of the Plateau to River Model (Ver. 8.3)

This environmental calculation file (ECF) outlines the process conducted for defining the initial condition groundwater plumes for select contaminants of interest (COIs) to the Plateau River model version 8.3 (P2Rv8.3) domain (CP-57037, Model Package Report: Plateau to River Groundwater Model Version 8.3). Various data sources were combined into a single set of files defining plume conditions at time 1/1/2018. The resulting files are intended for use as inputs for transport modeling to support forecasts of the Central Plateau contaminant plume fate and transport.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Hydrogen Contamination Detector: Protecting the future of zero-emission fuel cell energy [Brief]

Los Alamos National Laboratory developed an electrochemical detector to protect zero-emission hydrogen fuel cells from contaminated fuels. Fuel cells power environmentally clean vehicles, fork lifts, drones, and provide auxiliary power. High-purity hydrogen is essential to avoid poisoning fuel cells. Current analysis methods are costly and cannot detect impurities in realtime. The Hydrogen Contamination Detector measures the two highest impact Department of Energy-identified impurities with a simple, low-cost unit that provides 24/7, point-of-service analysis. Los Alamos partnered with H2Frontiers to conduct field trials at hydrogen refueling stations and with Skyre LLC for commercialization through a DOE Technology Commercialization Fund project.

08 HYDROGEN↗