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TDCOSMO. X. Automated modeling of nine strongly lensed quasars and comparison between lens-modeling software

When strong gravitational lenses are to be used as an astrophysical or cosmological probe, models of their mass distributions are often needed. We present a new, time-efficient automation code for the uniform modeling of strongly lensed quasars with GLEE, a lens-modeling software for multiband data. By using the observed positions of the lensed quasars and the spatially extended surface brightness distribution of the host galaxy of the lensed quasar, we obtain a model of the mass distribution of the lens galaxy. We applied this uniform modeling pipeline to a sample of nine strongly lensed quasars for which images were obtained with the Wide Field Camera 3 of the Hubble Space Telescope. The models show well-reconstructed light components and a good alignment between mass and light centroids in most cases. We find that the automated modeling code significantly reduces the input time during the modeling process for the user. The time for preparing the required input files is reduced by a factor of 3 from ~3 h to about one hour. The active input time during the modeling process for the user is reduced by a factor of 10 from ~ 10 h to about one hour per lens system. This automated uniform modeling pipeline can efficiently produce uniform models of extensive lens-system samples that can be used for further cosmological analysis. A blind test that compared our results with those of an independent automated modeling pipeline based on the modeling software Lenstronomy revealed important lessons. Quantities such as Einstein radius, astrometry, mass flattening, and position angle are generally robustly determined. Other quantities, such as the radial slope of the mass density profile and predicted time delays, depend crucially on the quality of the data and on the accuracy with which the point spread function is reconstructed. Better data and/or a more detailed analysis are necessary to elevate our automated models to cosmography grade. Nevertheless, our pipeline enables the quick selection of lenses for follow-up and further modeling, which significantly speeds up the construction of cosmography-grade models. This important step forward will help us to take advantage of the increase in the number of lenses that is expected in the coming decade, which is an increase of several orders of magnitude.

79 ASTRONOMY AND ASTROPHYSICS↗

Enhanced 2.7 μm emission from Er{sup 3+} doped oxyfluoride tellurite glasses for a diode-pump mid-infrared laser

The influence of fluoride and shielding gas (O{sub 2} or Ar) on the physical and spectroscopic properties of Er{sup 3+} doped TeO{sub 2}-ZnO-ZnF{sub 2} glass system is investigated. The larger electronegativity of F than O accounts for the gradual decrease of refractive index, density, and J-O parameters with increasing ZnF{sub 2}. An analysis on Fourier transform infrared transmission spectra reveals that the absorption coefficient of OH{sup −} around 3 μm as low as 0.247 cm{sup −1} can be achieved when 30 mol% ZnF{sub 2} containing sample is treated with Ar gas during glass melting process. The reduction of OH{sup −} groups combined with the low multiphonon relaxation rate (207 s{sup −1}) contributes to the enhanced emissions at 1.5 and 2.7 μm, along with prolonged lifetimes of {sup 4}I{sub 11/2} and {sup 4}I{sub 13/2} levels. A high branching ratio (17.95%) corresponding to the Er{sup 3+}: {sup 4}I{sub 11/2} → {sup 4}I{sub 13/2} transition, the large absorption and emission cross section (0.44 × 10{sup −20} cm{sup 2} and 0.45 × 10{sup −20} cm{sup 2}), and good gain cross section demonstrate that oxyfluoride tellurite glass could be a promising material for a diode-pump 2.7 μm fiber laser.

36 MATERIALS SCIENCE↗

Tribological properties of CrN coatings deposited by nitro-chromizing treatment on AISI D2 steel

In this work, the wear test of uncoated and chromium nitride coated AISI D2 cold work tool steel against alumina ball realized at 0.1 m/s sliding speeds and under the loads of 2.5N, 5N and 10N. Steel samples were nitrided at 575°C for 8 h in the first step of the coating process, and then chromium nitride coating was performed thermo-reactive deposition technique (TRD) in a powder mixture consisting of ferro-chromium, ammonium chloride and alumina at 1000°C for 2 h. Nitro-chromized samples were characterized by X-Ray diffraction analysis (XRD), scanning electron microscopy (SEM), micro-hardness and ball on disk wear tests. The coating layer formed on the AISI D2 steel was compact and homogeneous. X-ray studies showed that the phase formed in the coated layer is Cr{sub 2}N. The depth of the layer was 8.15 µm. The average hardness of the layer was 2160±15 HV{sub 0.025}. For uncoated and chromium nitride materials, wear rate increased with increasing load. The results of friction coefficient and wear rate of the tested materials showed that the CrN coating presents the lowest results.

36 MATERIALS SCIENCE↗

An Arabinoxylan Extracted from Corn Grain Is Inhibitory to Cellulase Activity

The maize seed expression system is a powerful platform for recombinant protein production. It has been utilized for high-yield production of industrial cellulases such as endo-1,4-b-Dglucanase (E1) and 1,4-b-D-glucan cellobiohydrolases (CBHI & CBHII). However, inhibitory compounds that could significantly reduce the cellulolytic efficiency were detected even in purified E1 and CBHII samples. After several steps of purification and analysis, the inhibitory compound found in the purified E1 sample had characteristics consistent with a thermostable polysaccharide with a molecular size over 10 kDa. Further polysaccharide analysis confirmed the molecular size of the detected polysaccharide and suggested that it is an arabinoxylan with a high arabinose/xylose ratio. Even though the strict column purification process should have removed water soluble non-protein molecules during protein purification, the inhibitor remained. Here, a possible explanation is that recombinant cellulase can bind to the inhibitor, carry it through all purification steps and finally release it when denatured by heat.

59 BASIC BIOLOGICAL SCIENCES↗

Nuclear forensics of a non-traditional sample: Neptunium

Recent nuclear forensics cases have focused primarily on plutonium (Pu) and uranium (U) materials. By definition however, nuclear forensics can apply to any diverted nuclear material. This includes neptunium (Np), an internationally safeguarded material like Pu and U, that could offer a nuclear security concern if significant quantities were found outside of regulatory control. This case study couples scanning electron microscopy (SEM) with quantitative analysis using newly developed specialized software, to evaluate a non-traditional nuclear forensic sample of Np. Here, the results of the morphological analyses were compared with another Np sample of known pedigree, as well as other traditional actinide materials in order to determine potential processing and point-of-origin.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A robust gene expression-based prognostic risk score predicts overall survival of lung adenocarcinoma patients

Identification of reliable predictive biomarkers and new therapeutic targets is a critical step for significant improvement in patient outcomes. Here, we developed a multi-step bioinformatics analytic strategy to mine large omics and clinical data to build a prognostic scoring system for predicting the overall survival (OS) of lung adenocarcinoma (LuADC) patients. In latter we first identified 1327 significantly and robustly deregulated genes, 600 of which were significantly associated with the OS of LuADC patients. Gene co-expression network analysis revealed the biological functions of these 600 genes in normal lung and LuADCs, which were found to be enriched for cell cycle-related processes, blood vessel development, cell-matrix adhesion and metabolic processes. Finally, we implemented a multiple resampling method combined with Cox regression analysis to identify a 27-gene signature associated with OS, and then created a prognostic scoring system based on this signature. This scoring system robustly predicted OS of LuADC patients in 100 sampling test sets and was further validated in four independent LuADC cohorts. In addition, in comparison to other existing prognostic gene signatures published in the literature, our signature was significantly superior in predicting OS of LuADC patients. In summary, our multiomics and clinical data integration study created a 27-gene prognostic risk score that can predict OS of LuADC patients independent of age, gender and clinical stage. This score could guide therapeutic selection and allow stratification in clinical trials.

59 BASIC BIOLOGICAL SCIENCES↗

Integrated Waste Treatment Unit (IWTU) Input Coal Analyses and Off-Gass Filter (OGF) Content Analyses

A full engineering scale Fluidized Bed Steam Reformer (FBSR) system is being used at the Idaho Nuclear Technology and Engineering Center (INTEC) to stabilize acidic Low Activity Waste (LAW) known as Sodium Bearing Waste (SBW). The INTEC facility, known as the Integrated Waste Treatment Unit (IWTU), underwent an Operational Readiness Review (ORR) and a Technology Readiness Assessment (TRA) in March 2014. The IWTU began non-radioactive simulant processing in late 2014 and by January, 2015 ; the IWTU had processed 62,000 gallons of simulant. The facility is currently in a planned outage for inspection of the equipment and will resume processing simulated waste feed before commencing to process 900,000 gallons of radioactive SBW. The SBW acidic waste will be made into a granular FBSR product (carbonate based) for disposal in the Waste Isolation Pilot Plant (WIPP). In the FBSR process calcined coal is used to create a CO2 fugacity to force the waste species to convert to carbonate species. The quality of the coal, which is a feed input, is important because the reactivity, moisture, and volatiles (C,H,N,O, and S) in the coal impact the reactions and control of the mineralizing process in the primary steam reforming vessel, the Denitration and Mineralizing Reformer (DMR). Too much moisture in the coal can require that additional coal be used. However since moisture in the coal is only a small fraction of the moisture from the fluidizing steam this can be self-correcting. If the coal reactivity or heating value is too low then the coal feed-rate needs to be adjusted to achieve the desired heat generation. Too little coal and autothermal heat generation in the DMR cannot be sustained and/or the carbon dioxide fugacity will be too low to create the desired carbonate mineral species. Too much coal and excess S and hydroxide species can form. Excess sulfur from coal that (1) is too rich in sulfur or (2) from overfeeding coal can promote wall scale and contribute to corrosion in process piping and materials, in excessive off-gas absorbent loading, and in undesired process emissions. The ash content of the coal is important as the ash adds to the DMR and other vessel products which affect the final waste product mass and composition. The amount and composition of the ash also affects the reaction kinetics. Thus ash content and composition contributes to the mass balance. In addition, sodium, potassium, calcium, sulfur, and maybe silica and alumina in the ash may contribute to wall-scale formation. Sodium, potassium, and alumina in the ash will be overwhelmed by the sodium, potassium, and alumina from the feed but the impact from the other ash components needs to be quantified. A maximum coal particle size is specified so the feed system does not plug and a minimum particle size is specified to prevent excess elutriation from the DMR to the Process Gas Filter (PGF). A vendor specification was used to procure the calcined coal for IWTU processing. While the vendor supplied a composite analysis for the 22 tons of coal (Appendix A), this study compares independent analyses of the coal performed at the Savannah River National Laboratory (SRNL) and at the National Energy Technology Laboratory (NETL). Three supersacks a were sampled at three different heights within the sack in order to determine within bag variability and between bag variability of the coal. These analyses were also compared to the vendor’s composite analyses and to the coal specification. These analyses were also compared to historic data on Bestac coal analyses that had been performed at Hazen Research Inc. (HRI) between 2004-2011.

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Data Validation Package, December 2015, Groundwater and Surface Water Sampling at the Monument Valley, Arizona, Processing Site March 2016

Fifty-two groundwater samples and one surface water sample were collected at the Monument Valley, Arizona, Processing Site to monitor groundwater contaminants for evaluating the effectiveness of the proposed compliance strategy as specified in the 1999 Final Site Observational Work Plan for the UMTRA Project Site at Monument Valley, Arizona. Sampling and analyses were conducted as specified in the Sampling and Analysis Plan for U.S. Department of Energy Office of Legacy Management Sites (LMS/PRO/S04351, continually updated, http://energy.gov/lm/downloads/sampling-and-analysis-plan-us-department- energy-office-legacy-management-sites). Samples were collected for metals, anions, nitrate + nitrite as N, and ammonia as N analyses at all locations.

54 ENVIRONMENTAL SCIENCES↗

Radiation History of Fission Gamma-Ray Spectra Relevant to Post-Detonation Debris Analysis

Quantifying the fissile content within trace amounts of nuclear material is of significant importance to safeguards and nuclear forensics communities. Traditionally, measurement methods have relied on destructive analysis (DA) measurements or passive detection of gamma/neutron signatures through nondestructive assay (NDA). These methods are highly accurate and employed globally as both a nuclear forensics capability and a material accountability measurement. However, common DA techniques rely on sample dissolution, a time-consuming process which can be particularly difficult for certain sample matrices, such as melt-glass formed from nuclear fallout. Likewise, trace quantities of nuclear materials prove difficult to measure using passive NDA techniques due to relatively low emission rates and potential interference from activated materials within the sample matrix.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Path Sampling for Rare Events Boosted by Machine Learning

The study by Jung et al. introduced Artificial Intelligence for Molecular Mechanism Discovery (AIMMD), a novel sampling algorithm that integrates machine learning to enhance the efficiency of transition path sampling (TPS). By enabling on-the-fly estimation of the committor probability and simultaneously deriving a human-interpretable reaction coordinate, AIMMD offers a robust framework for elucidating the mechanistic pathways of complex molecular processes. Here, this commentary provides a discussion and critical analysis of the core AIMMD framework, explores its recent extensions, and offers an assessment of the method’s potential impact and limitations.

Minh, Porhouy [Univ. of Minnesota, Minneapolis, MN↗

Line profile analysis of dislocation densities of the δ-phase 239 Pu-2.0 at%Ga alloy using neutron diffraction

Time-of-flight neutron diffraction measurements were conducted at ambient conditions to study microstructures of the δ-phase 239 Pu-2at% Ga alloy. Based on the line profile analysis of diffraction data we derived dislocation densities using a correction routine to account for the anisotropic strain broadening. Our results show here that the average dislocation density in the as-received sample, previously treated at cryogenic temperatures, is five times higher than the dislocation density measured after annealing the sample, indicating that the neutron instrumentation used in this work has sufficient resolution to detect the dislocation density changes in different sample processing. These results are also in reasonably good agreement with the dislocation densities previously reported based on TEM observations and x-ray diffraction data, suggesting that the simple correction routines applied in this work have a fairly good fidelity for deriving important microstructural information such as dislocation density for elastically highly anisotropic δ-phase 239 Pu-Ga alloys.

36 MATERIALS SCIENCE↗

Solvent Hold Tank Sample Results for MCU-18-425- 427 (October 2018), MCU-18-459-460-461 (November 2018), and MCU-18-487-488-489 (December 2018) (Quarterly Report)

A trend summary of three Solvent Hold Tank (SHT) monthly samples MCU-18-425-426-427, MCU-18- 459-460-461 and MCU-18-487-488-489 are reported. Most of the conclusions are based on the December SHT sample (MCU-18-487-488-489). Analyses of the December SHT sample (MCU-18-487-488-489 indicated that the Modifier (Cs-7SB) and the extractant (MaxCalix) concentrations were below their nominal recommended concentrations (169,000 mg/L and 46,400 mg/L respectively) by 2% and 9% respectively. The suppressor (N,N’,N”–tris(3,7-dimethyloctyl)guanidine or TiDG) concentration has decreased since the October 2018 measurement (Modular Caustic-Side Solvent Extraction Unit or MCU resumed processing (from May through November 2018) to 528 mg/L, but it is above the minimum recommended concentration (479 mg/L). These new levels are consistent with the concentrations observed when MCU was fully operational in 2016. The Semi-Volatile Organic Analysis (SVOA) did not detect any impurities. However, the Fourier Transform Hydrogen Nuclear Magnetic Resonance (FT-HNMR) analysis detected presence of phthalates at a few ppm. The impurity concentration was highest in the October sample and consistently detected in the November and December samples (but always a few ppm or less). Another impurity observed in the samples was mercury. Based on the December SHT sample, up to 24 ± 5 micrograms of mercury per mL of solvent was detected (as the average of the Direct Mercury Analysis (DMA) and X-Ray Fluorescence (XRF) methods). The higher mercury concentration in the solvent (as determined in the last three-monthly samples) is possibly due to the higher mercury concentration in Salt Batches 9 and 10. The gamma concentration (~3.6E5 dpm/mL) measured in the December SHT samples was consistent with previous values observed when MCU was fully operational (for example, between December 2016 and January 2017) but it was lower than the April SHT measurement. The “dip” in the gamma measurement for the May 2018 SHT sample was due to an Isopar™ L addition to MCU during April and May 2018. The laboratory will continue to monitor the quality of the solvent for any new impurities or degradation of the solvent components.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Integrating terrestrial and aquatic processes toward watershed scale modeling of dissolved organic carbon fluxes

Dissolved organic carbon (DOC) is not only a critical component of global and regional carbon budgets, but also an important precursor for carcinogenic disinfection byproducts (DBP) generated during drinking water disinfection process. The lack of process based watershed scale model for carbon cycling has been a limiting factor impeding effective watershed management to control DOC fluxes to source waters. Here, we integrated terrestrial and aquatic carbon processes into the widely tested Soil and Water Assessment Tool (SWAT) watershed model to enable watershed-scale DOC modeling (referred to as SWAT-DOC hereafter). The modifications to SWAT mainly fall into two groups: (1) DOC production in soils and its transport to aquatic environment by different hydrologic processes, and (2) riverine transformation of DOC and their interactions with particular organic carbon (POC), inorganic carbon and algae (floating and bottom). We tested the new SWAT-DOC model in the Cannonsville watershed, which is part of the New York City (NYC) water supply system, using long-term DOC load data (from 1998 to 2012) derived from 1399 DOC samplings. The calibration and verification results indicate that SWAT-DOC achieved satisfactory performance for both streamflow and DOC at daily and monthly temporal scales. The parameter sensitivity analysis indicates that DOC loads in the Cannonsville watershed are controlled by the DOC production in soils and its transport in both terrestrial and aquatic environments. Further model uncertainty analysis indicates high uncertainties associated with peak DOC loads, which are attributed to underestimation of high streamflows. Therefore, future efforts to enhance SWAT-DOC to better represent runoff generation processes hold promise to further improve DOC load simulation. Overall, the wide use of SWAT and the satisfactory performance of SWAT-DOC make it a useful tool for DOC modeling and mitigation at the watershed scale.

Dissolved Organic Carbon, non-point source polluti↗

Anomaly Detection in Dynamic Networks

Anomaly detection in dynamic communication networks has many important security applications. These networks can be extremely large and so detecting any changes in their structure can be computationally challenging; hence, computationally fast, parallelisable methods for monitoring the network are paramount. For this reason the methods presented here use independent node and edge based models to detect locally anomalous substructures within communication networks. As a first stage, the aim is to detect changes in the data streams arising from node or edge communications. Throughout the thesis simple, conjugate Bayesian models for counting processes are used to model these data streams. A second stage of analysis can then be performed on a much reduced subset of the network comprising nodes and edges which have been identified as potentially anomalous in the first stage. The first method assumes communications in a network arise from an inhomogeneous Poisson process with piecewise constant intensity. Anomaly detection is then treated as a changepoint problem on the intensities. The changepoint model is extended to incorporate seasonal behavior inherent in communication networks. This seasonal behavior is also viewed as a changepoint problem acting on a piecewise constant Poisson process. In a static time frame, inference is made on this extended model via a Gibbs sampling strategy. In a sequential time frame, where the data arrive as a stream, a novel, fast Sequential Monte Carlo (SMC) algorithm is introduced to sample from the sequence of posterior distributions of the change points over time. A second method is considered for monitoring communications in a large scale computer network. The usage patterns in these types of networks are very bursty in nature and don’t fit a Poisson process model. For tractable inference, discrete time models are considered, where the data are aggregated into discrete time periods and probability models are fitted to the communication counts. In a sequential analysis, anomalous behavior is then identified from outlying behavior with respect to the fitted predictive probability models. Seasonality is again incorporated into the model and is treated as a changepoint model on the transition probabilities of a discrete time Markov process. Second stage analytics are then developed which combine anomalous edges to identify anomalous substructures in the network.

97 MATHEMATICS AND COMPUTING↗

MPEX AI Digital Twins

All magnetically confined plasma fusion power plant concepts (Tokamak, Spherical Tokamak, Stellarator, Mirror, ...) must exhaust the heat and plasma from the core confinement region to the material walls. The primary channel for this exhaust is through a plasma divertor which directs plasma along open magnetic field lines to a material target. The Material Plasma Exposure eXperiment (MPEX) illustrated in Figure 1, is a high-power, steady-state linear plasma device designed to produce the plasma material interaction (PMI) conditions of the divertor of future magnetic confinement fusion power plants: energy flux 20MW/m 2 , ion fluence 1031/m 2 , pulse duration 106 sec. These goals of plasma exposure in MPEX are well beyond those achieved in magnetic fusion experimental devices. Successfully achieving these high power steady state conditions for long pulses requires operational control of the heating and particle sources and the plasma flux to the walls and target. The MPEX AI Hot Spot Controller, proposed in this project, will help achieve the operational milestones of MPEX. The MPEX device will begin commissioning at the end of FY26. A smaller proto-MPEX was operated for 14,666 plasma discharges and will resume operation in September of 2025 as proto-MPEX-lite, with reduced capability, to test a new window for the Helicon plasma source. The proto-MPEX data has undergone surrogate modeling with machine learning methods (R. Archibald, 2022 IEEE International Conference on Big Data). This proto-MPEX data will be used to begin development of the AI digital twins described in this white paper. The scientific mission of MPEX is to qualify materials of different composition for use in the high energy and plasma flux conditions of a fusion power plant. The materials exposed in MPEX will in some cases be exposed to high neutron fluxes at other ORNL facilities to measure the changes to their PMI properties. The targets exposed in MPEX will be transported under vacuum to a Surface Analysis Station (SAS). The SAS will be equipped with the following diagnostics: Focused Ion Beam (FIB) for trench milling, 100-400 angstrom resolution scanning electron microscope (SEM), surface mapping x-ray spectrometer, high resolution camera, and a future upgrade to a laser induced breakdown spectroscopy quadruple mass spectrometer (LIBS-QMS). The MPEX experiments will generate diverse pre- and post-exposure measurement data of detailed material properties down to the crystal grain level in 3D for post-exposure assessment of PMI damage (e.g. cracking, melting, erosion and redeposition of the material). Physics models for the PMI, and how the material composition and manufacturing impact its performance under high energy plasma exposure, need to be validated with MPEX data to guide the selection of new candidate materials. Our vision for the MPEX AI Digital Twins project is to supply experimental and physics model simulation data to train Artificial Intelligence (AI) models for data processing, analysis, operational control, PMI and materials simulation to maximize the scientific output of the MPEX device. Ultimately, an AI digital twin of MPEX material assessment metrics for tested and synthetic material types with simulated PMI will be trained by the AI Modeling Teams on the experimental and physics simulation data submitted to the American Science Cloud by this project. A purely empirical search for the best material is inefficient given the finite number of samples that can be tested on MPEX. In order to expand the material properties database for training the MPEX Material Assessment AI Digital Twin, and to gain physics understanding of the PMI processes, physics models of the material properties and PMI processes are required. The physics simulations provide detailed simulation data, like impact angles for plasma ions, sputtering yields, transport of the ionized sputtered target material in the plasma, and redeposition locations. This simulation data expands the measurement data for deeper physics understanding. The experimental data is essential to validate the PMI and material structure simulation models. The validated models can then be used to generate new simulation data of MPEX material assessments for synthetic material compositions that have not been exposed in MPEX. These predictive simulations, plus the whole experimental dataset, will be used to train the MPEX Material Assessment AI Digital Twin allowing a rapid generative AI search for new materials with reduced PMI damage by interpolating the domain of the training set. These new optimum materials can be simulated with the physics codes and/or tested in MPEX. The ability of AI neural networks to interpolate multi-dimensional parameter spaces and generate virtual data is exploited for a more efficient search for optimum materials. The advent of the Transformational AI Models Consortium (TAIMC) is an opportunity to engage with state of the art private and public AI developers to achieve the goals of the AI digital twins and AI accelerated physics models proposed in this project. Our partners at ORNL from the Advance Scientific Computing Research (ASCR) organization will collaborate in accelerating the integrated plasma material interaction simulation framework. This simulation framework will provide a platform for generating simulation data across a range of physical fidelities, including hybrid methods that produce multi-fidelity results. This data will be leveraged for AI model development, both for generation of surrogates and the automation of simulation campaigns. A part of the research below will include collaborative efforts with the TAIMC to (i) adapt data storage approaches to ensure AI-readiness, (ii) provide a protypical exemplar to inform and exercise constructed workflows, and (iii) generate and share data, using the TAIMC unified AI data standard, for foundational models that will be trained from multiple sources across the DOE complex. We will also collaborate with the TAIMC, as well as the planned AI modeling teams, to develop approaches for reducing the cost of data generation. These include tailored multi-fidelity approaches as well as fine-tuning strategies to augment general, large-scale foundational models.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Conditioning and Requalification of Legacy Waste Packages - 18648

In most German interim storage facilities, hundreds of waste packages are waiting for re-conditioning and qualification to comply with the waste acceptance criteria (WAC) for the Konrad repository. Especially the waste classification as well as some characteristics and the description of the material composition in its current state do not comply with the Konrad requirements since the conditioning of these waste packages took place up to 40 years ago. The German name for these waste packages is 'Altgebinde', hereafter referred to as 'legacy waste packages'. The present article will provide an overview of the measures for the qualification of these legacy waste packages to fulfill the Konrad requirements. The following measures, when necessary, are carried out for the qualification of legacy waste packages: - Collection and evaluation of all documents related to the primary conditioning process, e. g. the used equipment, documented waste and packaging properties, conditioning and radiology, if available (hereafter 'old documents'). - Preparation of a conceptual report and a process control quality plan based on existing data, with appropriate measures to qualify the waste packages. Assessment and approval of the process control quality plan by the competent authority. - Characterization of the waste and packaging properties by visual inspection or tomography, recording or updating of dose rate, contamination and mass, verification of product stability, for example by gas analysis of the interior atmosphere of the container. - Characterization of the nuclide inventory by gammas scans, sample taking to analyze nuclides which can not be measured by means of in-situ gamma spectrometry, and for material declaration. - Qualification or post-conditioning of the legacy waste packages if necessary, e. g. by drying the waste packages and packaging them in containers approved for disposal. - Compilation of all results of the above mentioned tests and steps to create a waste package documentation, including the calculations for the nuclide inventory and the description of the material composition of the waste packages. - Receiving approval by the competent authority after evaluation of the final documentation. The aim behind this structured approach is to prevent additional, unnecessary measures and treatment of the waste. Consequently, the additional characterization is preferably carried out on the basis of the available documents. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Analysis of Tank 38H (HTF-38-19-77, -78) and Tank 43H (HTF-43-19-79, -80) Samples for Support of the Enrichment Control and Corrosion Control Programs

SRNL analyzed samples from Tank 38H and Tank 43H to support ECP and CCP. Overall, the results indicate the concentrations of most species in the Tank 38H surface and sub-surface samples increased significantly from the previous sample results. The Tank 38H sub-surface sample is more concentrated than the surface sample indicating stratification within the tank. Both the Tank 43H surface and sub-surface samples are similar in composition to the previous samples for most species analyzed. The Tank 43H subsurface sample remains slightly more concentrated than the surface sample indicating a small amount of stratification remains in the tank. The total uranium concentrations for the two Tank 38H samples differ significantly due to the presence of sludge solids in the sub-surface sample that markedly increased the uranium concentration. Both the Tank 38H surface and sub-surface samples have higher uranium concentrations than the previous samples from the tank. The weight percent water insoluble solids on the Tank 38H sub-surface sample show the sample contained 0.30 wt% insoluble solids, well below the 1 wt% limit. The total uranium concentrations of the two Tank 43H samples differ by <10% and are similar to the previous sample results. The sum of the major cations versus the sum of the major anions shows a difference of ~1% for the both the Tank 38H and Tank 43H surface samples providing an indication of good data quality for the nonradioactive analytes in the surface samples. The silicon concentrations measured in the Tank 38H surface and sub-surface samples are higher than the previous sample results. Due to the presence of sludge solids, the Tank 38H sub-surface sample show a silicon concentration an order of magnitude higher than the previous result. The Tank 43H surface and sub-surface samples have similar silicon concentrations and are similar to the previous Tank 43H samples. The silicon concentration was below detectable levels in the process blank. The five samples analyzed show silicon concentrations ranging from 88 to 710 mg/L.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Comprehensive High Throughput One‐Pot Analysis of Glycoproteins through Tool for Rapid Analysis of Glycopeptide by Permethylation (TRAP) Method.

Glycoproteins plays key roles in various cellular functions such as protein folding, protein targeting, receptor function, cell–cell recognition, protein stability, signaling, and other cellular functions. Currently a comprehensive and universal tool for the automated analysis of glycopeptides through their tandem mass spectrometry and data processing is a tedious process. We recently developed a method, Tool for Rapid Analysis of glycopeptide by Permethylation (TRAP), that simplifies glycoprotein analysis by integrating glycan sequencing and glycopeptide analysis in a single experiment. We employed this approach for the detailed analysis of glycosidic linkages, composition, glycan sequencing, glycosylation site mapping and sequencing of peptide moiety of glycopeptides of glycoproteins from both prokaryotes and eukaryotes. Here we are presenting an easy to use, robust, suitable for large as well as small sample sets and also cost‐effective glycoprotein analysis tool through TRAP approach. A permethylation protocol which can be automated and suitable for reliable permethylation of glycopeptides from the protease digest of glycoproteins was developed. Initial studies on glycopeptides from a model glycoprotein bovine RNAse B indicates that improved sensitivity and throughput of permethylation reactions can be achieved in conducting the reaction in microscale. This approach would enable convenient, rapid, and reliable high‐throughput screening of protein glycosylation and can be employed as a cost‐effective kit for glycosylated biomarker discoveries. In order to improvise the comprehensive glycosylation analysis and throughput, we have also developed an LC‐MS/MS platform for the analysis of glycopeptides processed through TRAP. We have conducted the analysis of standard glycoproteins such as bovine RNase B, human transferrin, and bovine fetuin and our preliminary results indicate that TRAP hyphened with LC‐MS/MS enables characterization of isomers of each glycoform at each glycosylation sites of complex glycoprotein mixtures. Support or Funding Information This research was supported by the National Institutes of Health (NIH) funded research, Grant R21GM122633; resource for biomedical glycomics, Grant P41GM103490; instrument grant, Grant S10OD018530; and U.S. Department of Energy grant, Grant DE‐SC0015662, to the Complex Carbohydrate Research Center. This abstract is from the Experimental Biology 2018 Meeting. There is no full text article associated with this abstract published in The FASEB Journal .

Shajahan, Asif↗