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At least 703 records · Page 39

Structure–property relations of sodium iron phosphate nuclear waste glasses: Effects of iron redox ratio and glass composition

Iron phosphate glasses, known for their exceptional chemical durability and potential applicability in nuclear waste management, have gained significant attention over the years. The structures of these glasses are complicated by the coexistence of Fe 3+ and Fe 2+ , which plays a crucial role in determining their structures and properties. Here, this work uses molecular dynamics simulations to study the structural changes in Na 2 O–Fe 2 O 3 –P 2 O 5 glasses with varying glass composition and Fe 2+ /Fe 3+ redox ratio. It was found that the redox ratio and modifier contents significantly affected the short-range and medium-range orders in the glasses. Significant changes in the local environments around P 5+ and Fe 3+ were observed, as reflected by the bond distances and coordination numbers. Na + cations are found to preferentially associate with Fe 3+ (rather than Fe 2+ ), whereas Fe 2+ has stronger association with P 5+ than Na + , confirming the structural role of Fe 2+ as a glass modifier. The disruptions in P–O–P linkages upon increasing FeO suggest that FeO causes glass depolymerization. These glasses achieved higher connectivity with increasing Fe 3+ / (Fe 3+ + Fe 2+ ) ratios, conerting phosphorous Q 2 to Q 3 units and iron Q 5 units to Q 4 units. The decrease of nonbridging oxygen fractions with increasing Fe 3+ / (Fe 3+ + Fe 2+ ) ratios, through creating P–O–Fe linkages, is the main reason of enhanced network connectivity. Quantitative structure–property relationship analyses with different structural descriptors were used to correlate with measured properties. The analyses provided valuable insights into structure–property relationships, emphasizing the importance of choosing relevant energy parameters and defining glass network connectivity, particularly in F net descriptors. It was found the Fe–O–P linkage density exhibits strong correlations to measured dissolution rates, supporting the importance of these linkages in improving the chemical durability in iron phosphate glasses.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Concrete in engineered barriers for radioactive waste disposal facilities - phenomenological study and assessment of long term performance

The paper aims to highlight recent developments at the Belgian Nuclear Research Centre SCK-CEN in experimental and numerical study of the coupled physical-chemical behaviour of concrete subject to chemical degradation. The discussion mainly focusses on three inter-linked research projects covering novel experimental methods to study the alteration of hydraulic and transport properties during carbonation and calcium leaching, a pore scale numerical model to capture microstructural changes due to the above degradation processes and a generic multiscale model aimed at determining evolution of the properties of a macrostructure over the long term. The paper also describes supplementary continuum scale numerical studies concerning concrete-clay interactions and geochemical impact on the physical structure of concrete. Preliminary findings from these studies show encouraging results such as the development of novel leaching, water permeability and diffusion apparatus, a robust pore scale model based on Lattice-Boltzmann method and a mesoscale study focused on the importance of interfacial transition zones on the effective diffusivity for linear and nonlinear diffusion problems. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Si-based materials for lithium-ion batteries VI. 15% surface-modified Si/C-graphite/carbon black/lithiated polyacrylic acid electrode

X-ray photoelectron spectroscopy was used to analyze a 15%Si/C-graphite/carbon black/lithiated polyacrylic acid electrode fabricated at the Cell Analysis, Modeling, and Prototyping Facility (CAMP), Argonne National Laboratory. The spectra were obtained using incident monochromatic Al K α radiation at 1486.6 eV (0.83 401 nm). An initial survey spectrum together with O 1s, C 1s, and Si 2p are presented. A final survey spectrum was collected to ascertain the amount of beam-induced damage, which appears to be minimal. The spectra indicate the principal core level photoelectron and Auger electron signals with only minor nitrogen and lithium signals and show the expected silicon-carbon species related to the surface modification process in addition to oxidized carbon and silicon due to atmospheric exposure as well contributions related to the binder material.

17 WIND ENERGY↗

Si-based materials for lithium-ion batteries VII. 70% surface-modified Si/C-carbon black/lithiated polyacrylic acid electrode

X-ray photoelectron spectroscopy (XPS) was used to analyze a 70% Si/C-carbon black/lithiated polyacrylic acid electrode fabricated at the Cell Analysis, Modeling, and Prototyping Facility (CAMP), Argonne National Laboratory. The spectra were obtained using incident monochromatic Al K α radiation at 1486.6 eV (0.834 01 nm). An initial survey spectrum together with O 1s, C 1s, and Si 2p are presented. A final survey spectrum was collected to ascertain the amount of beam-induced damage, which appears to be minimal. Finally, the spectra indicate the principal core level photoelectron and Auger electron signals with only minor copper, nitrogen, calcium, and lithium signals and show the expected silicon-carbon species related to the surface modification process in addition to oxidized carbon and silicon due to atmospheric exposure as well contributions related to the binder material.

25 ENERGY STORAGE↗

Si-based materials for lithium-ion batteries VIII. 90% surface-modified Si/C-lithiated polyacrylic acid electrode

X-ray photoelectron spectroscopy was used to analyze a 90% Si/C-lithiated polyacrylic acid electrode fabricated at the Cell Analysis, Modeling, and Prototyping Facility (CAMP), Argonne National Laboratory. The spectra were obtained using incident monochromatic Al K α radiation at 1486.6 eV (0.834 01 nm). An initial survey spectrum together with O 1s, C 1s, and Si 2p are presented. A final survey spectrum was collected to ascertain the amount of beam-induced damage, which appears to be minimal. Finally, the spectra indicate the principal core level photoelectron and Auger electron signals with only minor lithium signal and show the expected silicon-carbon species related to the surface modification process in addition to oxidized carbon and silicon due to atmospheric exposure as well contributions related to the binder material.

25 ENERGY STORAGE↗

Si-based materials for lithium-ion batteries IX: 70% surface-modified Si/C/polyethylene glycol-carbon black/lithiated polyacrylic acid electrode

X-ray photoelectron spectroscopy was used to analyze a 70% Si/C-carbon black/polyethylene glycol/lithiated polyacrylic acid electrode fabricated at the Cell Analysis, Modeling, and Prototyping Facility (CAMP), Argonne National Laboratory. The spectra were obtained using incident monochromatic Al K α radiation at 1486.6 eV (0.834 01 nm). An initial survey spectrum together with O 1s, C 1s, and Si 2p are presented. A final survey scan was collected to ascertain the amount of beam-induced damage, which appears to be minimal. Finally, the spectra indicate the principal core level photoelectron and Auger electron signals with only minor copper and lithium signals and show the expected silicon-carbon species related to the surface modification process in addition to oxidized carbon and silicon due to atmospheric exposure as well as contributions related to the binder material.

25 ENERGY STORAGE↗

Si-based materials for lithium-ion batteries X: 70% surface-modified Si/C/polyvinylidine difluoride-carbon black/lithiated polyacrylic acid electrode

X-ray photoelectron spectroscopy was used to analyze a 70% Si/C/polyvinylidine difluoride/carbon black/lithiated polyacrylic acid electrode fabricated at the Cell Analysis, Modeling, and Prototyping Facility (CAMP), Argonne National Laboratory. The spectra were obtained using incident monochromatic Al Kα radiation at 1486.6 eV (0.834 01 nm). A survey spectrum together with O 1s, C 1s, and Si 2p are presented. The spectra indicate the principal core level photoelectron and Auger electron signals with only minor copper and lithium signals and show the expected silicon-carbon and silicon-fluorine species related to the surface modification process in addition to oxidized carbon and silicon due to atmospheric exposure.

Haasch, Richard T. (ORCID:0000000194792595)↗

Machine Learning for Distributed Acoustic Sensing data (MLDAS) v1.0.1

MLDAS is a Python-written package for exploratory data analysis and deep learning training on Distributed Acoustic Sensing data. The machine learning tools are powered by the PyTorch library and designed to work efficiently on large scale datasets using parallel computing. Various SLURM scripts as well as a tutorial have also been made available to allow geophysicists to quickly and easily implement the available tools in their analysis workflow on supercomputer facilities.

Dumont, Vincent↗

Evaluation of Transportation Vibration Associated with Relocation of Work in Process As Part of KCRIMS

During relocation of the Kansas City Plant (KCP) from the site at Bannister Road to the site at Botts Road, work in process (WIP) within a production department must be transported. This report recommends packaging to mitigate vibration levels experienced by products during between-facility transportation. Measurements and analysis demonstrate that this mitigation results in vibration levels less than those experienced by the product during routine production processes within potentially damaging frequency ranges.

42 ENGINEERING↗

Analysis of a Radioactive Release in a Nuclear Waste Disposal Facility

The Waste Isolation Pilot Plant (WIPP) is a 655-meter deep mine near Carlsbad, New Mexico, used to dispose the nation’s defense transuranic waste. Limited airborne radioactivity was released from a container of radioactive waste in WIPP on 14 February, 2014. As designed, a mine ventilation filtration system prevented the large scale release of contamination from the underground. However, isolation dampers leaked, which allowed the release of low levels of contaminants after the event until they were sealed. None of the exposed individuals received any recordable dose. While surface contamination was limited, contamination in the ventilation system and portions of the underground was substantial. High efficiency particulate air (HEPA) filters in the operating ventilation system ensure continued containment during recovery and resumption of disposal operations. However, ventilation flow is restricted since the incident, with all exhaust air directed through the filters. Decontamination and natural fixation by the hygroscopic nature of the salt host rock has reduced the likelihood of further contamination spread. Contamination control and ventilation system operability are crucial for resumption of operations. This article provides an operational assessment and evaluation of these two key areas.

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Development Of Nutrient And Water Recycling Capabilities In Algae Biofuels Production Systems. Final Summary Report

The objective of this project was to develop and demonstrate methods of recycling of water and nutrients for algal biofuels production. Recycling was accomplished both internal to the system and, in a broader sense, through import and reuse of municipal wastewater. Such an integrated system with wastewater input had not been demonstrated previously, and the performance was unknown, particularly in terms of influence of recycling on algal productivity and the practical extent of nutrient recovery from biomass residuals. Through long-term laboratory and pilot research, the project resulted in the following: 1. Bench-scale pretreatment of algal biomass did not sufficiently increase methane yield of nutrient solubilization during anaerobic digestion to warrant incorporation of pre-treatment into the pilot plant. The trial pretreatments were high-pressure orifice homogenization, sonication, and two types of heat treatment. 2. Solubilization of biomass particulate nutrients by lab anaerobic digesters ranged from 20% to nearly 60% for N and 40-65% for P. Subsequent aerobic degradation of the anaerobically digested biomass simulated raceways receiving whole digestate and resulted in an additional 20-55% N solubilization and additional 20% P solubilization. 3. Comparisons of laboratory and pilot digesters showed that laboratory units were reasonable proxies for pilot-scale. 4. Pilot-scale anaerobic digesters were designed, installed, and operated to digest algal biomass. Nutrient re-solubilization by the digesters was monitored and whole digestate was successfully used as a fertilizer in pilot algae raceways. 5. Unheated, unmixed digesters achieved greater methane yield and nutrient solubilization than heated, mixed digesters, presumably due to longer the solids residence times in unmixed digesters. The unmixed, unheated pilot digesters yielded 0.16 L CH4 /g volatile solids (VS) introduced with 0.15 g VS/L-d organic loading and 16oC average temperature. A conventional heated mixed lab digester yielded 0.22 L CH4 /g VS with 0.25 g VS/L-d and 30oC. The highest yield (0.30 L CH4 /g VS) was achieved by the unmixed lab digesters operated at a constant 20oC. All digesters were operated with a 40-d hydraulic residence time. 6. In general, 50-75% of initial particulate N and P could be solubilized during anaerobic digestion and available for subsequent rounds of algae cultivation. 7. Bench-scale experiments showed the recovery from hydrothermal liquefaction (HTL) wastewater of carbon via anaerobic digestion and of nutrients to grow algae. To satisfy the nitrogen demand of algae cultivation, HTL wastewater would be diluted 400-fold, which was found to eliminate inhibition of algae growth by HTL wastewater. 8. Anaerobic digestion methane yield was lower for algal biomass containing coagulants such as would be used to aid harvesting or dewatering. Depending on doses, starch-based coagulant decreased yield by 10-14% and aluminum chlorohydrate decreased it by 14-26%. The lowest yield was 0.28 L CH 4 /g volatile solids introduced to the digesters. 9. Algae harvested from raceways operated on recycled water had methane yields 13% higher than algae from raceways operated on both recycled water and nutrients provided by algae digestate. The slightly lower yield was expected due to the presence of previously digested biomass from the digestate fertilizer. 10. Defined media was replenished with nutrients and recycled repeatedly in sequential batch growth of Chlorella sorokiniana (DOE 1412). This laboratory study tested for inhibition and accumulation of inhibiting compounds (allelopathic or auto-inhibitory substances), information that would help estimate the blowdown ratio needed for an integrated system. In laboratory experiments in which water was recycled a total of five times, each successive round of reuse resulted in an average 4±3% reduction in log-phase specific growth rates. However, linear-phase growth inhibition was only observed in the final fifth round of reuse. 11. No decline in productivity was detected after 15 rounds of water recycling with nutrients provided by whole digestate in lab cultivation. Lab tests allowed for steady light and temperature, increasing the ability to detect inhibition. 12. In initial pilot inhibition studies, wastewater growth media was reused once while productivity was monitored. Media reuse was accomplished with triplicate sets of 33-m2 raceways operated in series. First-round gross productivity (based on effluent biomass flow) averaged 23 g/m 2 -day annually while second-round gross productivity averaged 19 g/m 2 -day annually. In terms of net productivity (based on raceway effluent biomass minus influent biomass), the first-round productivity averaged 15 g/m2-d and second round averaged 13 g/m 2 -d during June-September operation. The higher productivity in the first-round ponds was likely due to heterotrophic/mixotrophic growth on the wastewater organic matter. 13. In a culminating pilot experiment, coagulant was used to decrease the carry-over of unsettled algae into subsequent rounds of growth. Over nearly 8 months, 93% of the media (the equivalent of 14 rounds of water reuse) was recycled without significant productivity loss compared to controls. Ponds receiving both recycled water and nutrients had net productivities of 14-24 g/m 2 -d during fall and mid-summer, respectively. 14. Techno-economic analysis of the proposed facility found minimum fuel selling price to range from $7.01/gallon gasoline equivalent without revenue other than fuel to $3.85/GGE with revenue from wastewater treatment fees and LCFS and RIN (Low Carbon Fuel Standard and Renewable Identification Numbers) credits. 15. Life cycle assessment indicated GHG emissions of 40.7 g CO 2 /MJ fuel and a net energy ratio (energy required/energy produced) of 0.37.

09 BIOMASS FUELS↗

HyRAM V1.0 User Guide

Hydrogen Risk Assessment Models (HyRAM) is a prototype software toolkit that integrates data and methods relevant to assessing the safety of hydrogen fueling and storage infrastructure. The HyRAM toolkit integrates deterministic and probabilistic models for quantifying accident scenarios, predicting physical effects, and characterizing the impact of hydrogen hazards, including thermal effects from jet fires and thermal pressure effects from deflagration. HyRAM version 1.0 incorporates generic probabilities for equipment failures for nine types of components, and probabilistic models for the impact of heat flux on humans and structures, with computationally and experimentally validated models of various aspects of gaseous hydrogen release and flame physics. This document provides an example of how to use HyRAM to conduct analysis of a fueling facility. This document will guide users through the software and how to enter and edit certain inputs that are specific to the user-defined facility. Description of the methodology and models contained in HyRAM is provided in [1]. This User’s Guide is intended to capture the main features of HyRAM version 1.0 (any HyRAM version numbered as 1.0.X.XXX). This user guide was created with HyRAM 1.0.1.798. Due to ongoing software development activities, newer versions of HyRAM may have differences from this guide.

08 HYDROGEN↗

Current and Projected Future Disposed Inventory Estimate for Trenches 31 and 34 for Performance Assessment and Composite Analysis

The purpose of this environmental calculation file (ECF) is to document and project future disposed radionuclide inventory estimates for the two currently active trenches in burial ground 218-W-5, which are designated as Trenches 31 and 34. This ECF also documents the current disposed radionuclide inventory estimate for the balance of the trenches in burial ground 218-W-5, which consist of 11 inactive trenches. All inventories were derived from disposal records maintained in the Solid Waste Information Tracking System (SWITS) database and are decayed corrected to a common date of January 1, 2070 to facilitate summation. This ECF supports modeling for performance assessment (PA) and composite analysis (CA) of waste facilities on the Hanford Site Central Plateau.

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Asset Management: Beyond 2020

This Asset Management Beyond 2020 document provides: (1) an introduction to asset management (AM) and an asset management system (AMS), along with insights to next steps, (2) an overview of the International Standards Organization (ISO) 55000 series documents, (3) an overview of the ISO 55001 gap analysis of Center 4700/4800 ("Facilities") organizations at Sandia National Laboratories, hereafter referred to as Sandia, with observations, gaps, and gap closure recommendations, and (4) an asset management architecture (AMA) recommendation aligned with the ISO 55001. The AMS and the AM are different but related. ISO 55000 cites AMS as "a management system for AM" to "direct, coordinate, and control AM activities." ISO 55000 cites AM as translating "the organizational objectives into technical and financial decisions, plans and activities."1 Essentially, the AMS begins with all levels of leadership to enable a structured and consistent approach to AM culminating in lifecycle asset management excellence.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

3013 Surveillance Program Interim Summary Report (FY16-FY21)

The K-Area Documented Safety Analysis (DSA) requires the facility participate in the SRS Site Surveillance Program as a part of Shipping Package Qualification and Storage Surveillance Program. The Site Surveillance Program outlines activities for field surveillance and laboratory tests that demonstrate the 3013 containers meet the functional performance requirements described in the DSA. The SRS Surveillance Program also supports the complex-wide Integrated Surveillance Program (ISP) for 3013 containers in accordance with DOESTD-3013. The purpose of this report is to provide a summary of the SRS portion of the surveillance program activities from FY16 through FY21 and formally communicate the interpretation of these results by the Surveillance Program Authority (SPA).

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Radiation Shielding Analysis of Niowave’s Uranium Target Assembly 2 (UTA-2) Facility for Molybdenum-99 Production

Niowave is seeking to develop a commercial medical isotope production process using a low-enriched uranium accelerator-driven subcritical reactor (ADSR) system to produce molybdenum-99. As part of the US Department of Energy national laboratory support to develop low enriched uranium molybdenum-99 production technologies, Oak Ridge National Laboratory is providing research and development resources to assist Niowave in the design and licensing process of its technology. The goals of this work under the radiation shielding task are to assist Niowave in developing a methodology and framework for efficient radiation shielding simulations of their Uranium Target Assembly 2 facility and to provide preliminary radiation shielding calculations and design recommendations for the facility.

07 ISOTOPE AND RADIATION SOURCES↗

Mean Time to Failure Analysis for the Los Alamos National Laboratory Weapons Engineering Tritium Facility Tritium Containment Vessels

The Weapons Engineering Tritium Facility (WETF) is a Hazard Category 2 nonreactor nuclear facility located in Technical Area 16 (TA-16) of Los Alamos National Laboratory. Tritium related research, development, and processing in support of stockpile stewardship program activities is conducted at WETF. Within WETF, various devices can be used to contain tritium and certain devices are designated as Tritium Containment Vessels (TCVs). Several different device types are identified as TCVs within WETF such as LP-50s and AL-M1s. Historically, a threshold tritium mass value has been used as the mechanism for designating a device as a TCV. When the tritium content of the device was below the tritium mass threshold it was not considered to be a TCV in the formal context. When the tritium content was above the administrative threshold, the device was considered to be a TCV. An upper tritium mass limit was also established for TCVs.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Assessment and Improvement Proposals for High-Pressure Rinsing Processes during Cleanroom Preparation of Superconducting Radio-Frequency Cavities for Particle Accelerators

The goal of this internship is to develop a fluid dynamics characterization of the high-pressure flow used for cleaning the internal surface of the SRF cavities. Initially, the High Pressure Rinsing (HPR) process is introduced, focusing on the problems of the SRF cavities and how this method can be used to increase their acceleration efficiency and performance. The characterization of the problem is then presented, including an introduction to the multiphase flow modeling and the analysis of the Fermilab facility for the HPR. To accomplish the goal, a preliminary estimation of the variables was performed using MATLAB. Then, multiple 2D simulations were developed with Ansys Fluent, and the influence of the main parameter was investigated. The simulation results are then presented and analysed, with a focus on the possible future developments of the HPR process fluid dynamic characterization.

43 PARTICLE ACCELERATORS↗