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Building Technologies Program Key Activities

The Building Technologies Program (BTP) employs a balanced approach to making buildings more energy efficient. The three pillars of our program, research and development (R&D), market stimulation, and building and equipment standards, help meet our strategic vision.

key activities↗

Work Plan for the Site-wide SSHAC Level 3 Probabilistic Seismic Hazard Analysis at INL

This work plan provides the overall framework, key activities, key tasks, and schedule for the execution of a probabilistic seismic hazard analysis at Idaho National Laboratory (INL). The probabilistic seismic hazard analysis will follow processes and procedures appropriate for the Senior Seismic Hazard Analysis Committee (SSHAC) Level 3 study provided in U. S. Nuclear Regulatory Commission guidance, NUREG-2213. The SSHAC Level 3 probabilistic seismic hazard analysis (PSHA) is being conducted as an INL site-wide effort. The work plan was developed and revised by participants who will perform the SSHAC Level 3 PSHA. The work plan also includes the quality assurance requirements commensurate with American Society of Mechanical Engineers Nuclear Quality Assurance NQA 1 2008/2009 and 2011 Addendum for design nuclear facilities under the U.S. Department of Energy and U. S. Nuclear Regulatory Commission. The scope of the SSHAC Level 3 PSHA is designed to produce the mean-centered definition of the seismic hazard with the appropriate treatment of uncertainties supported by the associated technical justifications. The SSHAC Level 3 study will properly implement and completely document the activities of evaluation, integration, and documentation. The evaluation process will consider data, models, and methods proposed by the larger technical community that are relevant to the PSHA at INL. The integration process will build seismic-source and ground-motion characterization models that represent the center, body, and range of technically defensible interpretations, taking into consideration the outcomes of the evaluation process. Key tasks and activities—such as a project kickoff meeting, three workshops, four formal working meetings, and a briefing meeting with the Participatory Peer Review Panel—will occur for the seven-member technical integration teams to construct seismic-source and ground-motion-characterization models. Both preliminary and final hazard-input documents will be developed to perform sensitivity analyses and the final PSHA, respectively. The entire study will be thoroughly documented in draft and final reports. The Participatory Peer Review Panel will review the SSHAC Level 3 study from start to finish, including the draft and final INL Site-wide PSHA reports, so they can provide a closure letter documenting the study’s adherence to SSHAC processes and technical adequacy of the final products.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOME Front End Engineering Experiment and Design

Steps for Initiating FEEED Explore the FEEED Process Key Activities Key Deliverables Provide an update on FEEED Progress with FEEED Developers Radiant USNC Westinghouse

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Hanford Under-tank Inspection with Ultrasonic Volumetric Non-destructive Examination Technology - 18470

The U.S. Department of Energy (DOE) and the Hanford Site Tank Operations Contractor Washington River Protection Solutions, LLC (WRPS) are sponsoring a non-destructive evaluation (NDE) technology development program to identify and mature volumetric (non-visual) NDE technology that will enable the examination of Hanford double-shell tank (DST) bottoms. NDE technology for Hanford under-tank examination will be made possible through technology maturation that includes adaptation of NDE sensor technology to overcome access challenges presented by tank risers and refractory pad air-slots, followed by integration with robotic delivery systems, and ultimately qualification and deployment of the inspection systems. The stages of technology maturation and the testing and evaluation required to support the process are organized under three program phases: Phase I - NDE Capability Testing: Identify and down-select NDE technologies based on flaw detection and characterization abilities only; Phase 2 - NDE Delivery System Testing: Mature promising NDE technologies to adapt transducer hardware and robotic delivery system to address access challenges; Phase 3 - Full-scale Demonstration of Integrated NDE System: Demonstrate adapted NDE technologies in a cold test platform to challenge flaw detection and navigation abilities. Phase I of the program, which was initiated and completed in FY2017, focused on completing the following five key activities: 1. Identifying a broad cross section of potentially applicable NDE volumetric inspection technologies for under-tank examination. 2. Down-selecting the broad set of NDE technologies to a set of strong candidates based on initial flaw detection performance and potential to be adapted/matured to overcome primary tank access challenges posed by access risers and/or refractory pad air-slots. 3. Evaluating the flaw detection performance of the candidate sensors through testing. 4. Using the test results to baseline sensor performance against the flaw detection requirements established for high-level waste tanks. 5. Assessing the trade-offs and vulnerabilities of the candidate sensors that would negatively impact sensor performance reliability or complicate tank inspection operations. The completion of the first three key activities satisfied the first two Phase I test objectives, which were to complete Technology Screening and Sensor Effectiveness Testing. Completion of the fourth key activity satisfied the final test objective of Phase I, which was to determine the extent to which the sensors can satisfy high-level waste tank flaw detection requirements. Sensor flaw detection performance testing yielded several suitable sensor technology options, although each has specific risks or challenges that would need to be accepted or overcome. Thus, the fifth key activity was performed to evaluate sensor risks and challenges for consideration with flaw detection performance. The Phase I evaluation outcomes will be used to support the Phase I programmatic objective, which is to identify one or more NDE sensor technologies for adaptation and maturation for the DST environment. Selection of one or more sensors will mark the culmination of Phase I of the NDE Technology Development Program and allow progression to Phase II.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

FY2020 Energy Efficient Mobility Systems Annual Progress Report

EEMS Program activities during FY 2020 focused on analytical research and large-scale modeling and simulation to understand the impacts that new mobility technologies and services will have at the vehicle-, traveler-, and overall transportation system-level. This research included the development of a multi-fidelity, end-to-end transportation system models and tools to evaluate the complex interactions among the various actors within the mobility landscape, analysis of empirical data to characterize which solutions may provide the largest benefits, and development of new control systems and algorithms that use vehicle connectivity and automation to improve the performance and efficiency of individual vehicles as well as the overall traffic system. This document presents a brief overview of the EEMS Program and documents progress and results from projects within each of the EEMS activity areas. The Computational Modeling and Simulation key activity area summarizes work within the sub-areas of (1) the SMART (Systems and Modeling for Accelerated Research in Transportation) Mobility Lab Consortium, (2) Artificial Intelligence, High-Performance Computing, and Data Analytics, and (3) Core Simulation and Evaluation Tools. Additionally, the program’s advanced R&D projects are summarized within (4) the Connectivity and Automation Technology key activity area. Each of the individual progress reports provide a project overview and highlights of the technical results.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Dilute Source CO 2 Capture: Management of Atmospheric Coal-Produced Legacy Emissions (Final Technical Report)

This report presents the scientific and technical findings by Carbon Engineering Ltd (CE) resulting from the DOE sponsored research and development project on Direct Air Capture (DAC) process. The work was performed by CE under the Award DE-FE0026861 from the US Department of Energy’s (DOE) National Energy Technology Laboratory (NETL). The work plan was centered on advancing the Recipient’s DAC technology, developing a better understanding of its performance and cost. The report outlines the results from two key activities that were performed under this award: Studying the performance characteristics of the DAC plant at both pilot and lab scale Techno-economic analysis (TEA) to study two implementations of CE’s proprietary DAC process: i) An early commercial DAC process that captures ~1 MT CO 2 /year of atmospheric CO 2 (Baseline case), and ii) A modified early commercial DAC process that captures 1 MT CO 2 /year of flue gas CO 2 downstream of a subcritical PC post-CCS power plant (Case 1 Option C). Within the first key activity of the project, significant operational improvements and learnings were realized, including for key equipment in the DAC process in addition to the overall system. Learnings included impact of equipment design on the capture, calcination and slaking processes, and operational parameter modifications for optimizing the pelletization process, along with the complex interactions and associated considerations of these on overall system performance. In parallel, benchtop scale equipment was successfully utilized to validate pilot scale data, such as, retention in the pellet reactor, and capture performance parameters of the air contactor. CE continues to conduct core research and development activities; the learnings from this DOE project will contribute to the design, testing and operation activities of CE’s fully integrated DAC validation plant, as well as the first commercial DAC plant. The second key activity incorporated the above learnings, as well as input from vendors and EPC experts, to produce the TEA report. More specifically, the TEA results were based on measured pilot plant performance data for all major unit operations, and on an energy and material balance for the process at commercial scale computed using an Aspen One® process simulation. The cost estimation methodology follows AACE International recommended practices; with an uncertainty range of -15%/+30%. Depending on financial assumptions, energy costs, and the specific choice of inputs and outputs, the levelized cost per ton CO 2 captured from the atmosphere for an early commercial plant for the baseline case ranges from 227 to 304 $/t-CO 2 . And, the levelized cost to capture 98% of the flue gas CO 2 emissions in a subcritical PC power plant (Case 1 Option C) through a combination of Cansolv carbon capture system and a modified DAC system was estimated to range from 109 to 160 $/MWh of net power generated. Process improvement opportunities identified during this work, in addition to cost reduction opportunities identified during the Value Engineering exercise associated with the Baseline case indicate that significant reductions in capital costs are available as CE scales up and proceeds through deployment of initial facilities.

20 FOSSIL-FUELED POWER PLANTS↗

Interleukin-8 (IL-8) over-production and autocrine cell activation are key factors in monomethylarsonous acid [MMA(III)]-induced malignant transformation of urothelial cells

The association between chronic human exposure to arsenicals and bladder cancer development is well recognized; however, the underlying molecular mechanisms have not been fully determined. We propose that inflammatory responses can play a pathogenic role in arsenic-related bladder carcinogenesis. In previous studies, it was demonstrated that chronic exposure to 50 nM monomethylarsenous acid [MMA(III)] leads to malignant transformation of an immortalized model of urothelial cells (UROtsa), with only 3 mo of exposure necessary to trigger the transformation-related changes. In the three-month window of exposure, the cells over-expressed pro-inflammatory cytokines (IL-1β, IL-6 and IL-8), consistent with the sustained activation of NFKβ and AP1/c-jun, ERK2, and STAT3. IL-8 was over-expressed within hours after exposure to MMA(III), and sustained over-expression was observed during chronic exposure. In this study, we profiled IL-8 expression in UROtsa cells exposed to 50 nM MMA(III) for 1 to 5 mo. IL-8 expression was increased mainly in cells after 3 mo MMA(III) exposure, and its production was also found increased in tumors derived from these cells after heterotransplantation in SCID mice. UROtsa cells do express both receptors, CXCR1 and CXCR2, suggesting that autocrine cell activation could be important in cell transformation. Supporting this observation and consistent with IL-8 over-expression, CXCR1 internalization was significantly increased after three months of exposure to MMA(III). The expression of MMP-9, cyclin D1, bcl-2, and VGEF was significantly increased in cells exposed to MMA(III) for 3 mo, but these mitogen-activated kinases were significantly decreased after IL-8 gene silencing, together with a decrease in cell proliferation rate and in anchorage-independent colony formation. These results suggest a relevant role of IL-8 in MMA(III)-induced UROtsa cell transformation. -- Highlights: ► IL-8 is over-expressed in human MMA(III)-exposed urothelial cells. ► Internal CXCR1 and tumor progression markers are also increased. ► IL-8 silencing decreased malignant transformation markers in MMA(III)-exposed cells.

60 APPLIED LIFE SCIENCES↗

The antiestrogen endoxifen protects rat liver mitochondria from permeability transition pore opening and oxidative stress at concentrations that do not affect the phosphorylation efficiency

Endoxifen (EDX) is a key active metabolite of tamoxifen (TAM) with higher affinity and specificity to estrogen receptors that also inhibits aromatase activity. It is safe and well tolerated by healthy humans, but its use requires toxicological characterization. In this study, the effects of EDX on mitochondria, the primary targets for xenobiotic-induced toxicity, were monitored to clarify its potential side effects. EDX up to 30 nmol/mg protein did not affect the mitochondrial oxidative phosphorylation. At 50 nmol EDX/mg protein, EDX decreased the ADP phosphorylation rate and a partial collapse of mitochondrial membrane potential (Δψ), that parallels a state 4 stimulation, was observed. As the stimulation of state 4 was not inhibited by oligomycin and 50 nmol EDX/mg protein caused a slight decrease in the light scattering of mitochondria, these data suggest that EDX promotes membrane permeabilization to protons, whereas TAM at the same concentration induced mitochondrial membrane disruption. Moreover, EDX at 10 nmol/mg protein prevented and reversed the Ca{sup 2+}-induced depolarization of ΔΨ and the release of mitochondrial Ca{sup 2+}, similarly to cyclosporine A, indicating that EDX did not affect Ca{sup 2+} uptake, but directly interfered with the proteins of the mitochondrial permeability transition (MPT) megacomplex, inhibiting MPT induction. At this concentration, EDX exhibited antioxidant activity that may account for the protective effect against MPT pore opening. In conclusion, EDX within the range of concentrations reached in tissues did not significantly damage the bioenergetic functions of mitochondria, contrarily to the prodrug TAM, and prevented the MPT pore opening and the oxidative stress in mitochondria, supporting that EDX may be a less toxic drug for women with breast carcinoma. - Highlights: ► Mitochondria are important targets of Endoxifen. ► Endoxifen prevents mitochondrial permeability transition. ► Endoxifen prevents oxidative stress in mitochondria. ► Endoxifen slightly affects mitochondrial bioenergetics in comparison with tamoxifen. ► Endoxifen is a key active metabolite of tamoxifen relevant in cancer therapy.

60 APPLIED LIFE SCIENCES↗

The Remarkable 2024 North Atlantic Mid‐Season Hurricane Lull

Abstract The 2024 North Atlantic (hereafter Atlantic) hurricane season started quickly, with the earliest Category 5 on record (Beryl) and three hurricanes forming through 14 August. Following Ernesto's dissipation on 20 August, the Atlantic hurricane season became extremely quiet during the climatological peak of hurricane season, with only one Category 2 hurricane (Francine) and one tropical storm through 23 September. Several environmental factors likely contributed to this unexpected, prolonged lull. During mid‐to‐late August, subseasonal conditions were broadly favorable for Atlantic hurricanes, but a northward shift in African easterly wave emergence latitude yielded fewer tropical cyclone seed disturbances that also traversed unfavorably cool ocean water. During early‐to‐mid September, subseasonal variability driven by the Madden‐Julian oscillation was less conducive to hurricane activity, with several bouts of increased vertical wind shear across the central Atlantic. Throughout most of the lull, the tropical Atlantic was anomalously dry and subsident, suppressing hurricane formation chances. Plain Language Summary The 2024 North Atlantic (hereafter Atlantic) hurricane season was anticipated to be extremely active, with seasonal forecasts calling for a potentially historic season. Following a busy start including the earliest Category 5 Atlantic hurricane on record (Beryl), the season became very quiet between 20 August–23 September, with only one Category 2 hurricane (Francine) and one tropical storm forming. Following the lull, the Atlantic became extremely busy again, with seven hurricanes forming from 25 September through the end of the season–the most on record for this period. This paper focuses on the surprising lull and attributes it to several different factors, including a late‐August northward shift in African easterly wave tracks (organized thunderstorm complexes spanning thousands of kilometers that often serve as Atlantic hurricane seeds). This northward shift brought these systems out over colder water and into a drier airmass, suppressing their hurricane formation chances. During the first 3 weeks of September, a large‐scale tropical phenomenon known as the Madden‐Julian oscillation, resulted in increased sinking motion, drier mid‐levels and increased vertical wind shear–all of which typically reduce Atlantic hurricane activity. Overall, the lull demonstrates how seed disturbances and other environmental factors can strongly modulate aggregate seasonal tropical cyclone activity. Key Points Following an active start, the 2024 Atlantic hurricane was quiet during the climatological peak with only 1 tropical storm and 1 hurricane The lull was not anticipated by seasonal forecasting agencies, which called for an extremely active 2024 Atlantic hurricane season Factors reducing storm count included a northward shift in African easterly waves, broad‐scale subsidence, and reduced mid‐level moisture

Klotzbach, P J↗

Activities at Pacific Northwest National Laboratory to Advance Nuclear Radiation Science among Underrepresented STEM Students

The Partnership for Radiation Studies (PaRS) consortium is a collaboration between two minority-serving institutions and two U.S. national laboratories. The five-year consortium is funded by the U.S. Department of Energy’s (DOE) National Nuclear Security Administration (NNSA), and it aims enhance workforce of underrepresented students in STEM disciplines. PaRS’ long-term goal is to train students for their prospective hiring in DOE laboratories and sites. As one of the two integral national laboratory partners, the Pacific Northwest National Laboratory (PNNL) is playing an integral role in achieving this goal via pertinent lectures, seminars, hands-on trainings, and outreach activities. This paper summarizes PNNL’s key activities and initiatives to train the next generation of underrepresented students in STEM disciplines.

Minority Serving Institutions Partnership Program,↗

Low Activity Waste Pretreatment System (LAWPS) Conceptual Design Approach - 16568

The Low Activity Waste Pretreatment System (LAWPS) will be capable of providing the Waste Treatment and Immobilization Project's (WTP) Low Activity Waste Facility (LAW) the feed material needed to operate both of the LAW melters at full capacity. LAWPS will receive supernatant from the Hanford AP tank farm, filter solids from the waste, remove cesium from the waste, and then stage the feed in storage tanks for supplying the LAW facility. The LAWPS project team is currently executing the preliminary design phase of the project leading to Critical Decision 2 (CD-2). CD-2 is the approval of the performance baseline. The Critical Decision 1 (CD-1) package was approved by the Department of Energy Deputy Under Secretary in May 2015. This paper will focus on creating and gaining approval of the CD-1 package and initiating execution of the preliminary design work. The intent of the paper will be to highlight the activities that facilitated achievement of the goals and present key activities that have been performed to increase the likelihood of preliminary design success. Initiating the immobilization of Hanford tank waste will be a tremendous accomplishment. LAWPS is one of the key projects required to achieve this accomplishment. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Structural and Functional Consequences of Circular Permutation on the Active Site of Old Yellow Enzyme

Circular permutation of the NADPH-dependent oxidoreductase Old Yellow Enzyme from Saccharomyces pastorianus (OYE1) can significantly enhance the enzyme’s catalytic performance. Termini relocation into four regions of the protein (sectors I–IV) near the active site has proven effective in altering enzyme function. To better understand the structural consequences and rationalize the observed functional gains in these OYE1 variants, we selected representatives from sectors I–III for further characterization by biophysical methods and X-ray crystallography. These investigations not only show trends in enzyme stability and quaternary structure as a function of termini location but also provide a possible explanation for the catalytic gains in our top-performing OYE variant (new N-terminus at residue 303; sector III). Crystallographic analysis indicates that termini relocation into sector III affects the loop β6 region (amino acid positions: 290–310) of OYE1, which forms a lid over the active site. Peptide backbone cleavage greatly enhances local flexibility, effectively converting the loop into a tether and consequently increasing the environmental exposure of the active site. Interestingly, such an active site remodeling does not negatively impact the enzyme’s activity and stereoselectivity; neither does it perturb the conformation of other key active site residues with the exception of Y375. These observations were confirmed in truncation experiments, deleting all residues of the loop β6 region in our OYE variant. Intrigued by the finding that circular permutation leaves most of the key catalytic residues unchanged, we also tested OYE permutants for possible additive or synergistic effects of amino acid substitutions. Distinct functional changes in these OYE variants were detected upon mutations at W116, known in native OYE1 to cause inversion of diastereoselectivity for (S)-carvone reduction. In conclusion, our findings demonstrate the contribution of loop β6 toward determining the stereoselectivity of OYE1, an important insight for future OYE engineering efforts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

All-optical switching of localized surface plasmon resonance in single gold nanosandwich using GeSbTe film as an active medium

Localized surface plasmon resonance (LSPR) switching was investigated in a Au/GeSbTe/Au nanosandwich as a key active element for plasmonic integrated circuits and devices. Near-infrared single-particle spectroscopy was conducted to examine the interaction of a Au nanorod (AuNR) and Au film, between which a GeSbTe layer was incorporated as an active phase-change media. Numerical calculation revealed that hybridized modes of the AuNR and Au film exhibit a significant change of scattering intensity with the phase change. In particular, the antisymmetric (magnetic resonance) mode can be modulated effectively by the extinction coefficient of GST, as well as its refractive index. Experimental demonstration of the switching operation was performed by alternate irradiation with a picosecond pulsed laser for amorphization and a continuous wave laser for crystallization. Repeatable modulation was obtained by monitoring the scattering light around the LSPR peak at λ = 1070 nm.

36 MATERIALS SCIENCE↗

Research and Development Roadmaps for Liquid Metal Cooled Fast Reactors – Draft for Public Comment

This report provides the roadmaps for two fast reactor concepts, the Sodium-cooled Fast Reactor (SFR) and the Lead-cooled Fast Reactor (LFR). The roadmaps are generic, i.e., not specific to a particular vendor’s design, but vendor design information may have been used as a representative of the concept family. The SFR technology is mature enough for commercial demonstration by the early 2030s, and the remaining key activities and R&D needs over the next five years are generally related to the completion of qualification of fuel and structural materials, validation of reactor design codes and methods, and support of the licensing frameworks. The LFR’s technology is instead less-mature and will be at the engineering demonstration stage by the early 2030s. Key LFR technology development activities for the acceleration of the engineering demonstration of the LFR will focus on resolving remaining design challenges and demonstrating the viability of systems and components in the integral system, which will be done in parallel with addressing the gaps shared with SFR technology. As discussed in the Advanced Demonstration and Test Reactor Options Study, the R&D approaches and timelines presented here assume that, for the first module demonstration, vendors would pursue a two-step licensing process based on 10CFR Part 50.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Catalytic reforming of methane with H 2 S via dynamically stabilized sulfur on transition metal oxides and sulfides

Reforming of methane with H 2 S is a promising path to directly utilize sour natural gas reserves, although some aspects of the mechanism and structure–function relations remain elusive. In this report we show that metal oxides of group 4–6 elements, which are inert for steam and dry methane reforming reactions, are active and stable (pre)catalysts for the H 2 S reforming of methane. The key active sites are sulfur species (S*) that are dynamically bound to metal cations during catalysis. Similar H/D isotope exchange patterns and universal rate inhibition by H 2 on representative catalysts indicate that H 2 S decomposition and recombination of surface hydrogen atoms are quasi-equilibrated, whereas CH 4 dissociation steps are reversible, yet not quasi-equilibrated. An in-depth analysis of the kinetic data and isotopic substitution effects identifies S*-mediated C–H bond cleavage as the most plausible rate-limiting step common for all catalysts, with subtle yet essential differences between 3d and 4d/5d catalysts in the thermodynamic stability of S*.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Structural basis of transcription: RNA polymerase II substrate binding and metal coordination using a free-electron laser

Catalysis and translocation of multisubunit DNA-directed RNA polymerases underlie all cellular mRNA synthesis. RNA polymerase II (Pol II) synthesizes eukaryotic pre-mRNAs from a DNA template strand buried in its active site. Structural details of catalysis at near-atomic resolution and precise arrangement of key active site components have been elusive. Here, we present the free-electron laser (FEL) structures of a matched ATP-bound Pol II and the hyperactive Rpb1 T834P bridge helix (BH) mutant at the highest resolution to date. The radiation-damage-free FEL structures reveal the full active site interaction network, including the trigger loop (TL) in the closed conformation, bonafide occupancy of both site A and B Mg 2+ , and, more importantly, a putative third (site C) Mg 2+ analogous to that described for some DNA polymerases but not observed previously for cellular RNA polymerases. Molecular dynamics (MD) simulations of the structures indicate that the third Mg 2+ is coordinated and stabilized at its observed position. TL residues provide half of the substrate binding pocket while multiple TL/BH interactions induce conformational changes that could allow translocation upon substrate hydrolysis. Consistent with TL/BH communication, a FEL structure and MD simulations of the T834P mutant reveal rearrangement of some active site interactions supporting potential plasticity in active site function and long-distance effects on both the width of the central channel and TL conformation, likely underlying its increased elongation rate at the expense of fidelity.

Science & Technology - Other Topics↗