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DOE OSTI2026

Insights into the Structure of Ultrasmall Fluorescent Core–Shell Silica Nanoparticles

Ultrasmall fluorescent core–shell nanoparticles (NPs) with a silica core and poly(ethylene glycol) ligand shell are the earliest example of hybrid NPs that have received U.S. investigational new drug FDA approval. They are among only a few inorganic NPs translated to safety, diagnostic, and therapeutic human clinical trials. Despite these achievements, little is known about the exact structure of their 3–4 nm sized silica cores. We report the surprising discovery of a well-defined pentagonal bipyramidal core structure preferentially formed in the aqueous synthesis built from seven primary silica NPs. A combination of reverse-phase high-performance liquid chromatography, cryogenic transmission electron microscopy, and coarse-grained simulations provides fundamental insights into this magic-size cluster formation and its unusual stability. Here, results rationalize the successful NP synthesis scale-up from 1 mL to 50 L, provide clues to the recent discovery of their self-therapeutic properties in oncology via ferroptosis, an iron-dependent cell death mechanism, and promise improved control of particle size distribution via chromatographic separations.

cluster chemistry↗
DOE OSTI2024

Strain tuning of vestigial three-state Potts nematicity in a correlated antiferromagnet

Electronic nematicity is a state of matter in which rotational symmetry is spontaneously broken and translational symmetry is preserved. In strongly correlated materials, nematicity often emerges from fluctuations of a multicomponent primary order, such as spin or charge density waves, and is termed vestigial nematicity. One widely studied example is Ising nematicity, which arises as a vestigial order of collinear antiferromagnetism in the tetragonal iron pnictide superconductors. Because nematic directors in crystals are restricted by the underlying crystal symmetry, recently identified quantum materials with three-fold rotational symmetry offer a new platform to investigate nematic order with three-state Potts character. Here, in this study, we demonstrate strain control of three-state Potts nematicity as a vestigial order of zigzag antiferromagnetism in FePSe 3 . Optical linear dichroism measurements reveal the nematic state and demonstrate the rotation of the nematic director by uniaxial strain. We show that the nature of the nematic phase transition can also be controlled by strain, inducing a smooth crossover transition between a Potts nematic transition and an Ising nematic flop transition. Elastocaloric measurements demonstrate the signatures of two coupled phase transitions, indicating that the vestigial nematic transition is separated from the antiferromagnetic transition. This establishes FePSe 3 as a system to explore three-state Potts vestigial nematicity.

Hwangbo, Kyle↗
DOE OSTI2020

Competing effects of soil fertility and toxicity on tropical greening

Tropical forests are expected to green up with increasing atmospheric CO 2 concentrations, but primary productivity may be limited by soil nutrient availability. However, rarely have canopy-scale measurements been assessed against soil measurements in the tropics. Here, we sought to assess remotely sensed canopy greenness against steep soil nutrient gradients across 50 1-ha mature forest plots in Panama. Contrary to expectations, increases in in situ extractable soil phosphorus (P) and base cations (K, Mg) corresponded to declines in remotely sensed mean annual canopy greenness (r 2 = 0.77– 0.85; p < 0.1), controlling for precipitation. The reason for this inverse relationship appears to be that litterfall also increased with increasing soil P and cation availability (r 2 = 0.88–0.98; p < 0.1), resulting in a decline in greenness with increasing annual litterfall (r 2 = 0.94; p < 0.1). As such, greater soil nutrient availability corresponded to greater leaf turnover, resulting in decreased greenness. However, these decreases in greenness with increasing soil P and cations were countered by increases in greenness with increasing soil nitrogen (N) (r 2 = 0.14; p < 0.1), which had no significant relationship with litterfall, likely reflecting a direct effect of soil N on leaf chlorophyll content, but not on litterfall rates. In addition, greenness increased with extractable soil aluminum (Al) (r 2 = 0.97; p < 0.1), but Al had no significant relationship with litterfall, suggesting a physiological adaptation of plants to high levels of toxic metals. Thus, spatial gradients in canopy greenness are not necessarily positive indicators of soil nutrient scarcity. Using a novel remote sensing index of canopy greenness limitation, we assessed how observed greenness compares with potential greenness. We found a strong relationship with soil N only (r 2 = 0.65; p < 0.1), suggesting that tropical canopy greenness in Panama is predominantly limited by soil N, even if plant productivity (e.g., litterfall) responds to rock-derived nutrients. Moreover, greenness limitation was also significantly correlated with fine root biomass and soil carbon stocks (r 2 = 0.62–0.71; p < 0.1), suggesting a feedback from soil N to canopy greenness to soil carbon storage. Altogether, these data point to the potential utility of a remote sensing product for assessing belowground properties in tropical ecosystems.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Surgical Resection for Metastatic Tumors in the Pancreas: A Single-Center Experience and Systematic Review

Background: Metastatic lesion to the pancreas accounts for approximately 2% of pancreatic neoplasms. There is no prospective, randomized or case-controlled study evaluating the role of pancreatic metastasectomy. Methods: The PubMed, EMBASE, and Cochrane Library electronic databases were searched for studies published between January 1, 2001 and December 31, 2017. Studies with five or more patients who received pancreatic metastasectomy and data from our institution (29 patients) were included. The Kaplan–Meier method was used for survival analysis. Results: A total of 414 patients from 20 institutions who underwent pancreatic resections were included. Of the reported 31 kinds of primary neoplasms, renal-cell carcinoma (RCC) comprised the most (54.3%). At the time of diagnosis, although 40.3% patients were asymptomatic, abdominal pain (34.8%) and jaundice (20.6%) were relatively common. As for surgical type, pancreatoduodenectomy, total pancreatectomy, distal pancreatectomy, and enucleation took up 37.9%, 11.4%, 43.5%, and 7.2% respectively. The mortality and morbidity rates were 1.4% and 48.3% respectively. Patients with symptoms at the time of diagnosis had significantly shorter survival compared with asymptomatic patients (p = 0.017). Those with RCC as primary tumor had significantly longer survival compared with non-RCC patients (p < 0.001). Positive margin also predicts worse prognosis (p = 0.035). Conclusions: Pancreatic metastasectomy is safe and associated with acceptable short- and intermediate-term results. In the conditions of RCC as the primary tumor, being asymptomatic, or negative resection margin, a better prognosis after resection can be achieved.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2024

Zero Power Reactor Database (ZPRD) Development Plan

Past sodium-cooled fast reactors (SFR) were built with an active experimental program in place to support the design and development work. Most of the experimental facilities in the United States that were important for SFR design were shutdown in the 1980s and 1990s. Reactor licensing and construction requires any reactor design to be verified against existing reactor facilities or experimental measurements. With the absence of those experimental facilities, modern SFR projects must rely on historical measurements to demonstrate that the engineering modeling software and data being used for the new reactor design work are reliable. There has been a considerable push in the last 6 years by both DOE and commercial companies to obtain historical experimental measurements that are relevant for SFRs, in particular those with features that are important for the new reactor designs of interest. The zero power reactor experiments carried out at Argonne National Laboratory’s critical facilities (ZPR-3, ZPR-6, ZPR-9, and ZPPR) from the 1950s to the 1980s are some of the best reactor physics experiments on SFR technology that are available today. Of particular interest today are the ZPPR-15 measurements done at the ZPPR facility for the Integral Fast Reactor project in the 1980s as they are in line with most commercial and DOE interests today. In the past 10 years, the measurements done on ZPPR-15 have been processed into both Monte Carlo (MCNP) and deterministic models (MC2-3 and DIF3D) useable for validating the engineering modeling software for key parts of the SFR design work. To achieve this, a detailed model description must be created for the experiment and the experimental measurement that the engineering modeling software is to reproduce. Then, an assessment of the uncertainty on the measured quantity which considers all of the sources of uncertainty in defining the model must be obtained and documented. The models created for ZPPR-15 provide the best validation basis available today for neutronics modeling software. Reference 2 is a good resource to understand how these models were built and how the uncertainties on the measured quantities were derived. The intention of the Zero Power Reactor Database (ZPRD), hosted at frdb.ne.anl.gov, is to make available the experimental measurements and models that have been constructed to-date. Though ZPPR-15 measurements are the primary data requested for validation needs, other measurements on ZPPR, ZPR-6, and ZPR-9 in support of the Clinch River Breeder Reactor (CRBR) and Fast Test Reactor (FFTF) should also be considered important for future software validation needs. In this manuscript, the details of available measurements on ZPR-3, ZPR-6, ZPR-9, and ZPPR facilities are summarized, and a general organization of the web interface is displayed. Many of the documents associated with the measurements are export controlled information so access to the database will also have to be controlled.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Enriched Background Isotope Study (EBIS): Analysis of 14C-Enriched Carbon Cycle in Soils and Litter at Forested Oak Ridge and AmeriFlux Sites, 2001-2011

These data provide a record of the multi-year, multi-institutional Enriched Background Isotope Studies (EBIS) projects that ran from 2000 through 2011. Elevated levels of 14C enriched CO2 in the air and soil atmosphere as well as leaf, stem, and root tissues were observed on the Oak Ridge Reservations (ORR) during the summer of 1999, and were attributed to local incinerator activities on and/or near the ORR (Trumbore et al. 2002). The isolated enrichment of the background levels of 14C in local forest ecosystem represented a unique opportunity to study unresolved carbon cycling processes such as the contribution of leaf versus root litter contributions to soil carbon accumulation, the rate of vertical transport of carbon into deep soil storage pools, and the differential contribution of physicochemical versus faunal driven processes to soil carbon cycling and sequestration. Leaf litter from the local enriched forest was transplanted to selected sites on the ORR and to selected AmeriFlux study sites to study soil C cycling across a range of soils and climates. The EBIS research projects provide data on C flux from litter sources to mineral soil sinks for United States eastern hardwood forests necessary for testing process hypotheses and judging efficacy of soil C cycling models. Experimental results from this study are being used to parameterize and refine existing carbon dynamics models, the quantification of the long-term fate of ecosystem carbon inputs and as a means to judge the potential for ecosystem carbon sequestration via enhance litter inputs to soil. EBIS observations support conclusions that intra- and inter-annual soil carbon cycling in hardwood forest soils should be characterized as a least a two-compartment system where surface leaf-litter and belowground root turnover represent primary carbon sources for organic-layer and mineral-soil carbon cycles, respectively. EBIS experiments were conducted to complete enriched litterfall maniplations in upland forests on Ultisol and Inceptisol soils of the Oak Ridge Reservation, Oak Ridge, Tennessee. We also collected additional14C-enriched materials for new experimental applications, and applied those materials to multiple AmeriFlux sites over a range of climatic, edaphic and biological conditions. The research provided data for addressing DOE's goal of understanding mechanisms controlling C flux, and for the improvement of models to be applied to policy discussions regarding the safe levels of greenhouse gases for the earth's system. There are 5 data files provided in comma separated (*.csv) format for vegetation, field litter, soil and air [C] and C isotope data from the EBIS studies and associated environmental data.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Biphasic response of human iPSC-derived neural network activity following exposure to a sarin-surrogate nerve agent

Organophosphorus nerve agents (OPNA) are hazardous environmental exposures to the civilian population and have been historically weaponized as chemical warfare agents (CWA). OPNA exposure can lead to several neurological, sensory, and motor symptoms that can manifest into chronic neurological illnesses later in life. There is still a large need for technological advancement to better understand changes in brain function following OPNA exposure. The human-relevant in vitro multi-electrode array (MEA) system, which combines the MEA technology with human stem cell technology, has the potential to monitor the acute, sub-chronic, and chronic consequences of OPNA exposure on brain activity. However, the application of this system to assess OPNA hazards and risks to human brain function remains to be investigated. In a concentration-response study, we have employed a human-relevant MEA system to monitor and detect changes in the electrical activity of engineered neural networks to increasing concentrations of the sarin surrogate 4-nitrophenyl isopropyl methylphosphonate (NIMP). We report a biphasic response in the spiking (but not bursting) activity of neurons exposed to low (i.e., 0.4 and 4 μM) versus high concentrations (i.e., 40 and 100 μM) of NIMP, which was monitored during the exposure period and up to 6 days post-exposure. Regardless of the NIMP concentration, at a network level, communication or coordination of neuronal activity decreased as early as 60 min and persisted at 24 h of NIMP exposure. Once NIMP was removed, coordinated activity was no different than control (0 μM of NIMP). Interestingly, only in the high concentration of NIMP did coordination of activity at a network level begin to decrease again at 2 days post-exposure and persisted on day 6 post-exposure. Notably, cell viability was not affected during or after NIMP exposure. Also, while the catalytic activity of AChE decreased during NIMP exposure, its activity recovered once NIMP was removed. Gene expression analysis suggests that human iPSC-derived neurons and primary human astrocytes resulted in altered genes related to the cell’s interaction with the extracellular environment, its intracellular calcium signaling pathways, and inflammation, which could have contributed to how neurons communicated at a network level.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Effects of codon optimization on coagulation factor IX translation and structure: Implications for protein and gene therapies

Synonymous codons occur with different frequencies in different organisms, a phenomenon termed codon usage bias. Codon optimization, a common term for a variety of approaches used widely by the biopharmaceutical industry, involves synonymous substitutions to increase protein expression. It had long been presumed that synonymous variants, which, by definition, do not alter the primary amino acid sequence, have no effect on protein structure and function. However, a critical mass of reports suggests that synonymous codon variations may impact protein conformation. To investigate the impact of synonymous codons usage on protein expression and function, we designed an optimized coagulation factor IX (FIX) variant and used multiple methods to compare its properties to the wild-type FIX upon expression in HEK293T cells. We found that the two variants differ in their conformation, even when controlling for the difference in expression levels. Using ribosome profiling, we identified robust changes in the translational kinetics of the two variants and were able to identify a region in the gene that may have a role in altering the conformation of the protein. Our data have direct implications for codon optimization strategies, for production of recombinant proteins and gene therapies.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Nanostructures for Electrical Energy Storage (NEES) (2020 Final Technical Report)

Nanostructures for Electrical Energy Storage (NEES, www.efrc.umd.edu) was an Energy Frontier Research Center supported by the DOE Office of Science, Basic Energy Sciences, from 8/1/2009 to 7/31/2020. Led by the University of Maryland, NEES enjoyed extensive collaborations with its funded partners, including two DOE Laboratories and six universities. The NEES vision has been to reveal a set of scientific insights and design principles that can underpin a next-generation electrical energy storage approach, building on advances in nanoscale science and technology to achieve simultaneous high power and high energy over extended charge/discharge cycling. The vision is motivated by the recognition that scaling into the nano regime opens the door to new physical phenomena and that the tools enlisted in nanoscale research provide major new opportunities for the synthesis not only of materials at molecular scale but for structures at nano scale and above. NEES has translated this vision into its research program based on two observations. First, while the behavior of ions and electrons in electrolytes and in electrode materials is crucial to electrical energy storage (or more appropriately electrochemical energy storage), it is the transport of ion and electron charge between different structural components of a storage device that ultimately determine its performance. With it well recognized that the choice of electrode materials typically constrain ion transport kinetics as well as maximum ion concentration, the search for better electrode materials has been a primary driver of battery research. At the same time the synthesis of electrodes is typically based on aggregation of particles with varying size, shape, and orientation in the electrode. Together with the presence of additional materials to impart electrical conductivity and cohesion to the composite electrode, change in electrode materials is necessarily accompanied by structural changes at the nano/micro scale that are difficult to categorize and manage. From the beginning, NEES’ vision has been to create and study simpler, highly controlled spatial arrangements of known materials as battery components (electrodes, current collectors, and electrolyte) and to understand how design and structure above the molecular scale determines the energy storage performance available from known materials. Second, advances in nanoscience dramatically expanded the portfolio of synthesis methods, structural motifs, and new phenomena available for research. Some of these gave rapid access to new building blocks at the deep nanoscale (e.g., carbon nanotubes grown by self-assembly, nanoscale arrays formed by electrochemical self-alignment, monolayer films controlled by self-limiting reaction). Such advances served as the enabler for the NEES vision to be pursued experimentally through study of 3D structures created and controlled at the nano, micro, and meso scales. Here, we use meso as in the BES MESO Report, implying not only intermediate or varying length scales, but very much the way behavior is influenced by other factors including aggregation of nanocomponents at different densities and spatial configurations, statistical variations in the aggregates, hierarchical architectures in which they can be assembled, or local 3D configurations that result from the architectures. Over its life cycle, NEES has pursued two overarching goals: (1) to understand the scientific fundamentals of electrochemical storage from the nanoscale to the mesoscale; and (2) to create and learn from innovative, controlled, heterogeneous nanostructures, where such nanostructures can enable the first goal and serve as models for future paradigms in energy storage. Specific goals have included: Synthesize heterogeneous nanostructures comprised of multiple materials arranged in controlled fashion and characterize their behavior; Demonstrate and elucidate design principles for achieving simultaneous high power and high energy; Develop materials processes which enable precision control of thin layers and 3D structures; Investigate the impact of artificial interphases on electrode stability during ion insertion/deinsertion; Create dense arrays of nanostructures to understand how the architecture of these assemblies, along with nanostructure design, influences energy storage behavior at the mesoscale; Identify and understand the consequences of nanoconfinement and local inhomogeneities in 3D mesoscale arrays; Develop and apply computational models to stimulate, guide and interpret experiments.

25 ENERGY STORAGE↗
DOE OSTI2021

Expanded Capabilities and Opportunities for Virtual Beamline Code

In the 25 years since LLNL broke ground on the National Ignition Facility (NIF) - a cornerstone of the National Nuclear Security Administration’s Stockpile Stewardship Program - the NIF and Photon Science (NIF&PS) Directorate has steadily pushed the boundaries of laser physics, nonlinear optics, and photonics in service of inertial confinement fusion experiments, and advanced photon sources development. Beyond the 192 beamlines of the primary laser facility with its world-record energy and fusion yields, NIF&PS capabilities have expanded to include chirped-pulse amplification, kilojoule petawatt-class short-pulse systems to generate hard x-ray radiographic probes, high-average power lasers as secondary sources for generation or wake field particle acceleration along directed energy applications, and other scientific pursuits. The Computing Directorate partners with NIF&PS on numerous projects and technologies from diagnostic measurements and high performance control systems to data analysis, information technology infrastructure, and scientific simulation code development. “This strong collaboration enables cutting-edge science, particularly with regard to physics-based modeling and simulation,” says physicist Jean-Michel Di Nicola. One crucial capability for NIF&PS is the Virtual Beamline (VBL) laser simulation code. It can model all the major laser physics and technology involved in the design optimization, commissioning, and operations of advanced laser architectures from tabletop to NIF-scale. VBL provides researchers with high-fidelity models and high-resolution calculations of laser performance predictions—including for the entire NIF laser system, the Advanced Radiographic Capability, parts of the High Repetition-Rate Advanced Petawatt Laser System laser delivered to the Czech Republic, and the Optical Science Laser. After more than two decades of experimentally verified physics and computing enhancements, this unique workhorse code is wrapping up another major milestone: migration from Java to C++ with a flurry of user interface and optimization features, as well as laser physics and high-resolution enhancements thanks to parallel execution on Livermore Computing platforms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Enabling Particulate Materials Processing Science for High-Consequence, Small-Lot Precision Manufacturing

This Laboratory Directed Research and Development project developed and applied closely coupled experimental and computational tools to investigate powder compaction across multiple length scales. The primary motivation for this work is to provide connections between powder feedstock characteristics, processing conditions, and powder pellet properties in the context of powder-based energetic components manufacturing. We have focused our efforts on multicrystalline cellulose, a molecular crystalline surrogate material that is mechanically similar to several energetic materials of interest, but provides several advantages for fundamental investigations. We report extensive experimental characterization ranging in length scale from nanometers to macroscopic, bulk behavior. Experiments included nanoindentation of well-controlled, micron-scale pillar geometries milled into the surface of individual particles, single-particle crushing experiments, in-situ optical and computed tomography imaging of the compaction of multiple particles in different geometries, and bulk powder compaction. In order to capture the large plastic deformation and fracture of particles in computational models, we have advanced two distinct meshfree Lagrangian simulation techniques: 1.) bonded particle methods, which extend existing discrete element method capabilities in the Sandia-developed , open-source LAMMPS code to capture particle deformation and fracture and 2.) extensions of peridynamics for application to mesoscale powder compaction, including a novel material model that includes plasticity and creep. We have demonstrated both methods for simulations of single-particle crushing as well as mesoscale multi-particle compaction, with favorable comparisons to experimental data. We have used small-scale, mechanical characterization data to inform material models, and in-situ imaging of mesoscale particle structures to provide initial conditions for simulations. Both mesostructure porosity characteristics and overall stress-strain behavior were found to be in good agreement between simulations and experiments. We have thus demonstrated a novel multi-scale, closely coupled experimental and computational approach to the study of powder compaction. This enables a wide range of possible investigations into feedstock-process-structure relationships in powder-based materials, with immediate applications in energetic component manufacturing, as well as other particle-based components and processes.

36 MATERIALS SCIENCE↗
DOE OSTI2024

EPCAPE-PT-LANL Measurements: Condensation Particle Counter

Coastal cities offer a unique environment for studying aerosol-cloud interactions and the effects of urban emissions on cloud properties. As part of the Eastern Pacific Cloud Aerosol Precipitation Experiment (EPCAPE), the Partitioning Thrust by Los Alamos National Laboratory (EPCAPE-PT-LANL) was conducted. Our campaign focused on measuring the optical and chemical properties of aerosols and their interactions within marine stratocumulus clouds in La Jolla, California. EPCAPE-PT-LANL enhances the primary goals of EPCAPE through innovative observations of vapor-phase transitions between aerosols and cloud droplets, the impact of black carbon on aerosol-cloud dynamics, and the effects of cloud processing on aerosol optical properties. Instrument: Condensational particle counter 3070 (TSI) Calibration: No calibration during the campaign. Files: data_10sec_CPC.csv, data_10min_CPC.csv Header: - NumberConcentration[/cm3]: Number concentration of aerosol particles measured by the CPC, expressed in particles per cubic centimeter. - NumberConcentration[/cm3]_QC: Number concentration of aerosol particles after quality control adjustments or filtering, expressed in particles per cubic centimeter. - QualityControl_Flag[bool]: A boolean flag indicating whether the measurement is flagged for quality control checks, (0=pass) - CVI_Flag[bool]: A boolean flag indicating whether the Counterflow Virtual Impactor (CVI) was active (true) or inactive (false) during the measurement

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

AGR-5/6/7 Irradiation Test Final As-run Report

This document presents the as-run analysis of the Advanced Gas Reactor (AGR)-5/6/7 irradiation experiment. AGR-5/6/7 is the last of a series of experiments conducted in the Advanced Test Reactor (ATR) at Idaho National Laboratory in support of the development and qualification of tri-structural isotropic low-enriched fuel for use in high-temperature gas-cooled reactors. The test train contained five separate capsules that were independently controlled and monitored. Each capsule contained multiple 24.91-mm-long and 12.25-mm-dimeter compacts filled with low-enriched uranium carbide/oxide tri-structural isotropic fuel particles. The objectives of the AGR-5/6/7 experiment were to: • Irradiate reference-design fuel particles to support fuel qualification. • Establish operating margins for the fuel, beyond normal operating conditions. • Provide irradiated-fuel performance data and irradiated-fuel samples for post-irradiation examination and safety testing. The primary objective of the AGR-5/6 test (Capsules 1, 2, 4, and 5) was to verify the successful performance of the reference-design fuel under normal operating conditions. The AGR-7 test (Capsule 3) was designed to explore fuel performance at higher temperatures. Its primary objective was to demonstrate the capability of the fuel to withstand conditions beyond normal operating conditions, in support of plant design and licensing. AGR-5/6/7 will also provide irradiated-fuel performance data based on the fission gas release from particles during irradiation. To achieve the test objectives, the AGR-5/6/7 experiment was irradiated in the northeast flux trap of the ATR with a planned duration of 500 effective full-power days. The northeast flux trap was selected because its larger diameter provided greater flexibility for test-train design compared to the Large B positions used for the AGR-1 and AGR-2 irradiations, significantly enhancing test capabilities for the combined irradiation campaigns. Due to delays in the ATR schedule, the AGR-5/6/7 irradiation was significantly shorter than the originally planned 13-cycle schedule. Irradiation began on February 16, 2018 and ended on July 22, 2020, spanning nine ATR cycles (162B–168A) over two and a half years. Thus, the AGR-5/6/7 fuel compacts were irradiated for a total of approximately 360.9 effective full-power days. Final burnup values, on a per-compact basis, ranged from 5.66 to 15.26% fissions per initial heavy metal atom, while fast fluence values ranged from 1.62 to 5.55 × 1025 n/m2 (E >0.18 MeV). Time-averaged volume-averaged fuel temperatures on a capsule basis at the end of irradiation ranged from 756°C in Capsule 5 to 1313°C in Capsule 3 excluding days with significantly lower temperature during the two short powered axial locator mechanism cycles, 163A and 167A. By the end of irradiation, 48 out of 54 installed thermocouples had failed (the bottom three capsules lost all thermocouples). During the first five cycles (162B – 165A), the fission-gas isotope release-rate-to-birthrate (R/B) ratios were stable in the 10-8–10-6 range, and no in-pile particle failures were observed based on the gross gamma counts. During this time, the high exposed kernel fraction and high fuel particle temperatures in Capsule 1 led to a maximum R/B value of around 2 ? 10-6 for Kr-85m. The fission gas release in all capsules started to increase from the second half of Cycle 166A, when a large number of in-pile particle failures occurred in Capsule 1 and a gas line problem in this capsule caused fission gas leakage at various degrees into the other four capsules. This gas line problem also prevented a fission gas release measurement for Capsule 1 during the last three cycles due to gas flow isolation. By the end of irradiation, it is estimated that approximately 15 particles failed in Capsule 3, which was considered possible because the experiment was designed to operate beyond the high-temperature gas-cooled reactor normal operating temperature range. A few hundred in-pile particle failures were estimated for Capsule 1 by the end of Cycle 166A, but the total number of failures is unknown due to the lack of fission gas release data in the later cycles. Additionally, four potential in-pile failures were identified for Capsule 2 during the last cycle, Cycle 168A. In contrast, no in-pile failures were identified in the top two capsules (4 and 5) based on the absence of the typical spikes in gross gamma counts and low failure estimates using the AGR-3/4 R/B per exposed kernel model.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Stereo Camera Deployment in Support of TRACER (Field Campaign Report)

An improved understanding of the salient environmental controls on cloud formation, evolution, and eventual dissipation is critical to address ongoing challenges with cloud process and parameterization representations in global climate and Earth system models. One goal for the recent U.S. Department of Energy Atmospheric Radiation Measurement (ARM) user facility’s Tracking Aerosol Convection Interactions Experiment (TRACER) campaign was to collect a comprehensive data set that enabled such convective cloud process studies and key demonstrations for those controls that influenced cloud life cycle (i.e., aerosols, thermodynamics) in the Houston, Texas region. To help accomplish this, ARM instrumentation during TRACER was tasked with tracking a large number of individual, isolated convective cells – and to follow the evolution of these cells at high spatiotemporal resolution to characterize changes in cloud dynamic and microphysical properties. Since Houston experiences a range of convective clouds, it was known that the standard ARM Mobile Facility (AMF) instruments may not be sufficient to completely document initiating, transient, or dissipating low- or shallow-cloud behaviors that were also expected during this campaign (in terms of sensitivity, resolution, and/or operational availability). As one partial solution, a supplemental stereo camera deployment (this sub-campaign) was requested to augment the ARM AMF instrumentation to better address shallow and shallow-to-deep transitional types of cloud process drivers during TRACER (ARM stereo cameras for clouds [STEREOCAM]; Romps and Öktem 2018). The primary scientific focus was the relationships between cloud properties and the ambient conditions, which points to several key TRACER science questions including: ‘What is the relationship between cloud size or updraft intensity to the environmental wind shear and/or humidity?’ Overall, the ARM TRACER stereo camera deployment demonstrated unique effectiveness in observing a wide range of critical shallow, congestus, and transitioning or time-evolving cloud characteristics. The data sets from these cameras include information on the clouds' horizontal dimensions, elevations, and depths, while also enabling potential products for cloud initiation and dissipation rates, and vertical velocities. Stereo cameras simultaneously inform on cloud life cycle stage and spatial properties such as cloud fractional coverage, which should provide complementary information for ARM users when combined with TRACER cloud radars, lidar, and/or other profiling sensors. Moreover, camera products offer large-eddy simulation (LES),-scale-appropriate cloud coverage, depth, and spatial variability estimates, while opening additional avenues to challenge difficult process questions on cloud updrafts/entrainment and their covariability with environmental controls such as wind shear and humidity.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Cyber Risk Considerations for Nuclear Digital I&C Systems

Many engineers and scientists researching modeling and analysis methods for nuclear energy advancement are focused on proof-of-concept and early-stage development for new reactor designs. Since instrumentation and control (I&C) systems are traditionally developed later in the systems engineering lifecycle, researchers may be unfamiliar with modern digital technology used in these I&C systems. It is even more likely that they are unfamiliar with the cyber risks associated with them. This paper provides a brief overview of nuclear digital I&C systems before examining the importance of cyber risk management at nuclear reactors and the benefits of including Cyber-Informed Engineering throughout the systems engineering lifecycle. The primary goal is for engineers and scientists to develop a mindset that incorporates cybersecurity as another discipline alongside safety when designing and developing new technologies, regardless of technology readiness level.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Micromagnetic Modeling of a Magnetically Unstable Zone and Its Geological Significances

Abstract Recent micromagnetic simulations have found that particles in the transitional zone between the single domain (SD) and single vortex (SV) zone are prone to thermal and external magnetic field instabilities that could adversely affect the accuracy of interpretations of paleomagnetic recordings. In this study, we attempt to evaluate the internal magnetization characteristics of these magnetically unstable (MU) particles and the influence on paleomagnetic observations by simulating the magnetic behavior of 68–104 nm truncated octahedral magnetite particles using the MERRILL modeling software. We found that: (a) The size region of the “MU zone” for grains of truncated octahedron shape is different from cubic octahedrons and spheres, indicating that the zone may be controlled by the geometry and shape of particles; (b) The MU zone has a range of 79–97 nm region, which is dominated by a hard‐axis aligned single vortex (HSV); and (c) MU particles are unstable as a function of temperature and have low coercive fields. Finally, the numerical fitting of hysteresis parameters for experimental data suggests that the influence of such MU particles in samples should not be ignored, especially for samples with fine‐grained magnetic minerals as the primary magnetic recording carriers. This research has extended our understanding of the behavior of the “MU zone” and its significance on paleomagnetic records.

Wang, Yuqin↗
DOE OSTI2020

Investigation of flow regimes in arc plasma–gas interactions using a two-temperature arc in crossflow model

The perpendicular impingement of a gas stream on an electric arc, a configuration known as the arc in crossflow, is of primary relevance in the study of plasma-gas interactions, as well as in industrial applications such as circuit breakers and wire-arc spraying. The flow dynamics in the arc in crossflow are the result of coupled fluid-thermal-electromagnetic phenomena accompanied by large property gradients, which can produce significant deviations from Local Thermodynamic Equilibrium (LTE) among electrons and gas species. These characteristics can lead to the establishment of distinct flow regimes depending on the relative values of the controlling parameters of the system, such as inflow velocity, arc current, and inter-electrode spacing. A two-temperature non-LTE (NLTE) model is used to investigate the arc dynamics and the establishment of flow regimes in the arc in crossflow. The plasma flow model is implemented within a nonlinear Variational Multiscale (VMS) numerical discretization approach that is less dissipative, and hence better suited to capture unstable behavior, than traditional VMS methods commonly used in computational fluid dynamics simulations. The Reynolds and the Enthalpy dimensionless numbers, characterizing the relative flow strength and arc strength, respectively, are chosen as the controlling parameters of the system. Simulation results reveal the onset of dynamic behavior and the establishment of steady, periodic, quasi-periodic, and chaotic or potentially turbulent, regimes, as identified by distinct spatiotemporal fluctuations. The computational findings reveal the role of increasing the relative arc strength on enhancing flow stability by delaying the growth of fluctuating and unstable flow behavior.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Mapping the intrinsic photocurrent streamlines through micromagnetic heterostructure devices

Photocurrent in quantum materials is often collected at global contacts far away from the initial photoexcitation. This collection process is highly nonlocal. It involves an intricate spatial pattern of photocurrent flow (streamlines) away from its primary photoexcitation that depends sensitively on the configuration of current collecting contacts as well as the spatial nonuniformity and tensor structure of conductivity. Direct imaging to track photocurrent streamlines is challenging. Here, we demonstrate a microscopy method to image photocurrent streamlines through ultrathin heterostructure devices comprising platinum on yttrium iron garnet (YIG). We accomplish this by combining scanning photovoltage microscopy with a uniform rotating magnetic field. Here, local photocurrent is generated through a photo-Nernst type effect with its direction controlled by the external magnetic field. This enables the mapping of photocurrent streamlines in a variety of geometries that include conventional Hall bar-type devices, but also unconventional wing-shaped devices called electrofoils. In these, we find that photocurrent streamlines display contortion, compression, and expansion behavior depending on the shape and angle of attack of the electrofoil devices, much in the same way as tracers in a wind tunnel map the flow of air around an aerodynamic airfoil. This affords a powerful tool to visualize and characterize charge flow in optoelectronic devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗