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DOE OSTI2024

Results of Long-Term Analyses of the Salt (Macro) Batch 11 Tank 21H Qualification Sample

Savannah River National Laboratory (SRNL) analyzed samples from Tank 21H in support of qualification of Salt Waste Processing Facility (SWPF) Salt Batch 11. This document reports the long-term results of the analyses of the sample of Tank 21H. Analysis of this sample indicates that the material does not display any unusual characteristics or observations, such as visually apparent solids. However, the sample was dark colored. This report satisfies Deliverable 3 of the Technical Task Request (TTR).

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2024

Results of Long-Term Analyses of the Salt (Macro) Batch 11 Tank 21H Qualification Sample

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2024

Results of Long-Term Analyses of the Salt (Macro) Batch 13 Tank 42H Qualification Sample

Savannah River National Laboratory (SRNL) analyzed samples from Tank 42H in support of qualification of Salt Waste Processing Facility (SWPF) Salt Batch 13. This document reports the long-term results of the analyses of the sample of Tank 42H. Analysis of this sample indicates that the material does not display any unusual characteristics or observations, such as visually apparent solids. This report satisfies Deliverable 3 of the Technical Task Request (TTR).

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2024

Results of Analyses of Boric Acid Samples from the Salt Waste Processing Facility

Savannah River National Laboratory (SRNL) analyzed boric acid samples from the Salt Waste Processing Facility (SWPF). This document reports the results of these analyses. Analysis of these samples indicates that the material does not display any unusual characteristics or observations, such as visually apparent solids. The characteristics of both samples was as expected.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2025

Results of Long-Term Analyses of the Salt (Macro) Batch 14 Tank 21H Qualification Sample

Savannah River National Laboratory (SRNL) analyzed samples from Tank 21H in support of qualification of Salt Waste Processing Facility (SWPF) Salt Batch 14. This document reports the long-term results of the analyses of the sample of Tank 21H. Analysis of this sample indicates that the material does not display any unusual characteristics or observations, such as visually apparent solids. This report satisfies Deliverable 3 of the Technical Task Request (TTR).

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2020

Potential annual daylighting performance of a high-efficiency daylight redirecting slat system

While the primary role of window attachments is often to moderate glare and solar heat gains, they are also able to provide additional daylight to interior spaces. For this purpose, a variety of daylight-redirecting window systems have been developed over the past 150 years. Fixed reflective systems (slats/light shelves) or prismatic systems that rely on total internal reflection work well under specific solar conditions, but generally sacrifice performance over a much wider range of incident solar angles and sky conditions. Dynamic systems - typically reflective slats - are more responsive to sun angles but have not been able to achieve optimal performance for glare and daylight redirection efficiency. A previous investigation into an adjustable, reflective blind concept first conceived of in the late 1970s showed promise but was not reduced to practice due to lack of adequate simulation and analysis tools. In this paper, this concept is further developed and its energy and visual comfort performance evaluated for four mid-latitude, temperate climates using ray-tracing simulation techniques. Overall, results indicate significant potential lighting energy savings when compared with conventional automated reflective blinds (2.1–4.9 kWh/(m 2 ·a), or 14%–42%, depending on climate and orientation) or, especially, manually-operated matte white venetian blinds (1.4–7.9 kWh/(m 2 ·a), or 9%–54%, depending on climate and orientation), while maintaining acceptable or better visual comfort conditions throughout the interior space.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2022

3D, Real-time Label-free Visualization of Cellular Health

This work directly addresses a key question raised in TA7, Topic L1 of HDTRA1-16-24-FRCWMDCall, “Can quantum level changes be detected, mapped, and understood in the biological environment to allow faster diagnostic responses?” This work will use the inherently sensitive quantum property of a molecular excited state lifetime to visualize and map discrete, subtle nanometer-scale changes (e.g. NADPH vs NADH) that are key indicators of cellular health in response to chemical and biological threats and MCMs. It will also develop and exploit new, fast imaging light-sheet methods to allow faster diagnostic responses. This new imaging system will exploit time-correlated single photon counting and new advances in single-objective light-sheet microscopy (oblique plane microscopy) for fast, quantitative analysis of cellular redox state. We will add an entirely new dimension (excited state fluorescence lifetime) to oblique plane microscopy—a method that even without this added dimension was labeled by Nature Methods in 2021 as a ‘Method to Watch.’ Following instrument development and validation, we will explore cellular response to Burkholderia infections and antibiotic treatment in immortal cell lines followed by expansion to more realistic cellular environments (such as neuro-muscular junctions, NMJs) to test nerve agent simulants and their MCMs. As a microscopy platform, these methods hold the promise of being able to visualize a single infected cell (or a cellular compartment) and MCM treatment well before a larger and later organ/organism response.

47 OTHER INSTRUMENTATION↗

DOE OSTI2020

Influence of substrate misorientation on the optical properties of Mg-doped GaN

The GaN substrate miscut angle has a significant effect on the optical properties of Mg-doped GaN grown by metal-organic chemical vapor deposition. We have studied the optical properties of epilayers grown on c-plane GaN wafers with nominal miscut angles of 0.3° and 4° toward the [11¯00] direction. Periodic surface steps are observed in thin films grown on 0.3° miscut substrates. The step separation and height, as well as the surface roughness, increase with layer thickness, leading to a decrease in Mg doping efficiency. For films grown on 4° miscut substrates, step bunching causes the formation of visually observable wavy features on the film surface with strong spatial variations in cathodoluminescence characteristics, indicating a significant effect of surface morphology on the nature of Mg incorporation and p-type characteristics.

Liu, Hanxiao (ORCID:0000000331067542)↗

DOE OSTI2022

Cryotrapping peroxide in the active site of human mitochondrial manganese superoxide dismutase crystals for neutron diffraction

Structurally identifying the enzymatic intermediates of redox proteins has been elusive due to difficulty in resolving the H atoms involved in catalysis and the susceptibility of ligand complexes to photoreduction from X-rays. Cryotrapping ligands for neutron protein crystallography combines two powerful tools that offer the advantage of directly identifying hydrogen positions in redox-enzyme intermediates without radiolytic perturbation of metal-containing active sites. However, translating cryogenic techniques from X-ray to neutron crystallography is not straightforward due to the large crystal volumes and long data-collection times. Here, methods have been developed to visualize the evasive peroxo complex of manganese superoxide dismutase (MnSOD) so that all atoms, including H atoms, could be visualized. The subsequent cryocooling and ligand-trapping methods resulted in neutron data collection to 2.30 Å resolution. The P 6 1 22 crystal form of MnSOD is challenging because it has some of the largest unit-cell dimensions ( a = b = 77.8, c = 236.8 Å) ever studied using high-resolution cryo-neutron crystallography. The resulting neutron diffraction data permitted the visualization of a dioxygen species bound to the MnSOD active-site metal that was indicative of successful cryotrapping.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2022

Design and Implementation of Automated Characterization of T-type based Power Module for PV Inverter Reliability Assessment

Reliability of power electronics holds the key for future power and energy systems since it is essential for system integration with renewables and energy storage systems. Variation of power module characteristics over the converter’s operational lifetime is a critical indicator to assess its reliability. Device characterization consists of different steps to collect, process, and visualize results, which is usually time-consuming, especially for power modules based on a non-phase-leg configuration, such as T-type circuits, widely applied for PV inverters. To reduce the time, ensure repeatability, and guarantee consistency, an automated test bench can be helpful. This paper focuses on a T-type-based power module and proposes a unique characterization platform and corresponding automation procedure and implementation. Considering the major characterization difference between T-type power modules over the conventional phase-leg power module, first, the special consideration for static characterization is highlighted. Second, the unique dynamic characterization design associated with the T-type power module is described. Finally, the automation of the power module characterization and the test platform is presented along with results and special considerations.

Siraj, Ahmed↗

DOE OSTI2024

Investigating Resilience of Loops in HPC Programs: A Semantic Approach with LLMs

Soft errors have become one of the major concerns for the error resilience of the HPC applications as those errors may cause HPC applications to generate serious outcomes such as silent data corruptions (SDCs). Protecting the applications from soft errors is an essential while challenging task. Among different approaches, obtaining a profound understanding of the resilience proneness of an application is very important to devise efficient error detection and recovery strategies. Given the scale of the HPC applications both in the code size and execution time, there are often cases that the error propagation analysis on such applications would produce a massive volume of unstructured data, which requires a significant amount of efforts, to process and to obtain indicating actions towards error protection. In this paper, we present a control-flow based visual analysis framework to help the users conduct error propagation analysis and identify the critical sections of a program that may have a higher likelihood of leading to erroneous outcomes when affected by the control flow related errors. We also design and implement the scalable visualization framework - ResilienceVis that efficiently and effectively visualizes the affected program states under errors and the propagation traces for an application in a user-friendly manner, and eventually, we combine the analysis and visualization to exhibit the error-proneness of the different sections of applications.

Jiang, Hailong↗

DOE OSTI2021

Marshall Islands Dose Assessment and Radioecology Program: Report on the (i) 2018 Visual Study of Exterior Concrete of the Cactus Crater Containment Structure (ii) Periodic Monitoring of Groundwater on Runit Island and (iii) Initial Health Risk Assessment from Contaminants in the Cactus Crater Containment Structure

In 2012, Congress passed P.L. 112-149, Insular Areas Act of 2011, which amended the Compact of Free Association Amendments Act of 2003 by assigning Cactus Crater containment monitoring and reporting requirements to the Secretary of Energy (Secretary). Effective January 1, 2012, the Secretary was required to “periodically (but not less frequently than every 4 years) conduct -- (I) a visual study of the concrete exterior of the Cactus Crater Containment Structure on Runit Island; and (II) a radiochemical analysis of the groundwater surrounding and in the Cactus Crater Containment Structure on Runit Island.” 48 U.S.C. 1921b(f)(1)(B)(i). The Secretary was also directed to submit to Congress a report describing the results of each visual survey and the radiochemical analysis and “a determination on whether the surveys and analyses indicate any significant change in the health risks to the people of Enewetak from the contaminants within the Cactus Crater Containment Structure.” 48 U.S.C. 1921b(f)(1)(B)(ii)(II).

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DOE OSTI2022

Analysis of Tank 38H (HTF-38-22-31, -32) and Tank 43H (HTF-43-22-33, -34) 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. The results indicate the concentrations of most soluble species in the Tank 38H surface sample increased from the previous surface sample. The Tank 38H sub-surface sample shows changes in concentration for soluble species in the solution with some increasing and some decreasing. The current Tank 38H sub-surface sample contains less sludge solids than the previous sample based on visual appearance. The small differences in the concentrations of major components between the Tank 38H surface and sub-surface samples indicate only minimal stratification of solution species within the tank.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2022

Analysis of Tank 38H (HTF-38-22-91, -92) and Tank 43H (HTF-43-22-93, -94) 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. The results indicate the concentrations of most soluble species in the Tank 38H surface sample increased slightly from the previous surface sample. The Tank 38H sub-surface sample shows changes in concentration for soluble species in the solution with some increasing and some decreasing. The current Tank 38H sub-surface sample contains more sludge solids than the previous sample based on visual appearance. The small differences in the concentrations of major components between the Tank 38H surface and sub-surface samples indicate only minimal stratification of solution species within the tank. The Tank 43H surface and sub-surface samples are similar in composition to the previous samples. The similar solution compositions measured in the Tank 43H surface and sub-surface samples indicate a minimal stratification within the tank. The total uranium and plutonium in the current Tank 38H surface sample remains similar to the previous analysis. The Tank 38H sub-surface sample shows an increase in uranium and plutonium concentrations compared to the previous sample likely because of an increase in sludge solids in the current sample. The total uranium concentration in the two Tank 43H samples is essentially unchanged from previous sample results. The plutonium concentration in the Tank 43H surface sample is similar to the previous sample results while the plutonium in the Tank 43H sub-surface sample increased relative to the previous analysis. The sum of the major cations versus the sum of the major anions shows a difference of <10% for both samples from Tank 38H and for both samples from Tank 43H providing an indication of good data quality for the non-radioactive analytes in the samples. The silicon concentrations measured in the Tank 38H sub-surface sample increased compared with the previous sample results likely due to the presence of more sludge solids in the current sample. The Tank 38H surface sample silicon concentrations is similar to the previous sample results. The Tank 43H surface and sub-surface sample silicon concentrations both increased compared to the previous sample results. The samples analyzed from Tanks 38H and 43H show silicon concentrations ranging from 61.5 to 97.3 mg/L.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2023

Analysis of Tank 38h (HTF-38-23-19, -20) and Tank 43H (HTF-43-23-21, -22) 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. The results indicate the concentrations of most soluble species in the Tank 38H surface sample decreased significantly from the previous surface sample. The Tank 38H sub-surface sample shows changes in concentration for soluble species in the solution with some increasing and some decreasing. The current Thank 38H sub-surface sample contains visible sludge solids similar to the previous sample, i.e., less than 1%, based on visual appearance. The significant differences in the concentrations of major components between the Tank 38H surface and sub-surface samples indicate significant stratification of solution species between these two locations within the tank. Savannah River Mission Completion personnel indicate that ~ 150,000 gallons of Tank 22 supernate were received in Tank 38H since its last analysis during which time the 2H evaporator was not operated, so the observed stratification is expected. The Tank 43H surface and sub-surface samples are similar in composition to the previous samples. The similar solution compositions measured in the Tank 43H surface and sub-surface samples indicate a minimal stratification within the tank. The total uranium and plutonium in the current Tank 38H surface sample remains similar to the previous analysis. The Tank 38H sub-surface sample shows an increase in uranium and plutonium concentrations compared to the previous sample likely because of an increase in sludge solids in the current sample. The total uranium concentration in the Tank 43H surface sample is similar to the previous sample results while the plutonium in the Tank 43H sub-surface sample increased relative to the previous analysis. The sum of the major cations versus the sum of the major anions shows a difference of <10% for both samples from Tank 38H sub-surface sample (174 mg/L) increased compared with the previous sample. The Tank 38H surface sample silicon concentrations (27.5 mg/L) is one-half of the previous sample results. The Tank 43H surface sample silicon concentrations compared to the previous sample results indicate Si in the concentration range of 60 to 83 mg/L. Thus, these current samples analyzed from Tanks 38H and 43H show overall silicon concentrations ranging from 27.5 to 174 mg/L.

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DOE OSTI2025

Molecular-Scale Insights into the Heterogeneous Interactions between an m -Terphenyl Isocyanide Ligand and Noble Metal Nanoparticles

The structural and chemical properties of metal nanoparticles are often dictated by their interactions with molecular ligand shells. These interactions are highly material-specific and can vary significantly even among elements within the same group or materials with similar crystal structure. In this study, we surveyed the heterogeneous interactions between an m-terphenyl isocyanide ligand and Au and Ag nanoparticles (NPs) at the single-molecule limit. Specifically, we found that the ligation behavior with this molecule differs significantly between that of Au and AgNPs. Surface-enhanced Raman spectroscopy measurements revealed unique enhancement factors for two molecular vibrational modes between two metal surfaces, indicating different ligand binding geometries. Molecular-level characterization using scanning tunneling microscopy allowed us to directly visualize these variations between Ag and Au surfaces, which we assign as two distinct binding mechanisms. This molecular-scale visualization provides clear insights into the different ligand–metal interactions as well as the chemical behavior and spectroscopic characteristics of isocyanide-functionalized NPs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Electronic structure calculations of twisted multi-layer graphene superlattices

Quantum confinement endows two-dimensional (2D) layered materials with exceptional physics and novel properties compared to their bulk counterparts. Although certain two- and few-layer configurations of graphene have been realized and studied, a systematic investigation of the properties of arbitrarily layered graphene assemblies is still lacking. We introduce theoretical concepts and methods for the processing of materials information, and as a case study, apply them to investigate the electronic structure of multi-layer graphene-based assemblies in a high-throughput fashion. We provide a critical discussion of patterns and trends in tight binding band structures and we identify specific layered assemblies using low-dispersion electronic bands as indicators of potentially interesting physics like strongly correlated behavior. A combination of data-driven models for visualization and prediction is used to intelligently explore the materials space. This work more generally aims to increase confidence in the combined use of physics-based and data-driven modeling for the systematic refinement of knowledge about 2D layered materials, with implications for the development of novel quantum devices.

36 MATERIALS SCIENCE↗

DOE OSTI2022

HFTS-1 Natural Joint Data and Engineering Summary

This report provides an analysis of engineering and geologic data collected from the Hydraulic Fracturing Test Site #1 (HTSF-1) project in the southern Midland Basin, Reagan County, Texas. The site is being studied as part of the Science-informed Machine Learning for Accelerating Real-Time Decisions in Subsurface Applications (SMART) Initiative at the National Energy Technology Laboratory (NETL). The data collected is intended to provide a basis of understanding of the site and to construct simulation models. This report provides a summary analysis of the engineering and geologic data collected from the project to provide a basis of understanding of the site and to construct simulation models. The report examines various possible correlations in engineering properties based on natural fracture data from the program, which consisted of 11 horizontal wells, one vertical well, and one slant well. The horizontal wells are in two horizons: 1) Upper and 2) Middle Wolfcamp formations. Program data include: fracture frequency and fracture orientation data from four core runs in a slant well; fracture spacing and orientation from a vertical pilot well; laboratory triaxial testing and mineralogical determinations; and porosity results from magnetic resonance analyses from various wells, together with observations based on the data collection. In addition, available references were reviewed on the site for additional insights. As the focus of the report is on the natural system, hydraulic fracture data from the site were not examined in detail in this report. Data variability is the chief observation in examination of the database. Fracture frequency in the slant well can range from sections with values as high as five fractures per ft to sections up to 100+ ft in length with no natural observed fractures. Fracture spacing across is typically less than 10 ft, but can range up to hundreds of feet. Apparent fracturing shows the trends in two predominate orientations, E-SW and WNW-ESE, but minor variations exist. The rock units vary across the site from siliceous mudstones to calcareous mudstones, showing a general layering with depth. The laboratory properties such as strength and modulus show no apparent trend with depth, but appear to correlate with rock mineralogy with high strength and modulus values where calcium content is high. In addition, an attempt to examine variability and mineralogy on a larger scale was made using a color-coded system based on gamma ray measurements. A staged colored approach was adopted, presuming that lower gamma ray values indicate higher value of calcium content (blue scale) and that higher gamma ray values indicate higher clay mineral content (orange scale). As provided in report appendices, the system correlated well with visual examination of the slant core and the petrofabric analyses of the vertical pilot well. The results showed large variability in mineral content along the horizontal plane across the site. The change in mineral content was also rapid, on a scale less than that of the average hydraulic fracture stage length of about 180 ft.

42 ENGINEERING↗