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Microbial Phosphorus Mobilization Strategies Across a Natural Nutrient Limitation Gradient and Evidence for Linkage With Iron Solubilization Traits

Microorganisms have evolved several mechanisms to mobilize and mineralize occluded and insoluble phosphorus (P), thereby promoting plant growth in terrestrial ecosystems. However, the linkages between microbial P-solubilization traits and the preponderance of insoluble P in natural ecosystems are not well known. We tested the P solubilization traits of hundreds of culturable bacteria representative of the rhizosphere from a natural gradient where P concentration and bioavailability decline as soil becomes progressively more weathered. Aluminum, iron phosphate and organic P (phytate) were expected to dominate in more weathered soils. A defined cultivation medium with these chemical forms of P was used for isolation. A combination of soil chemical, spectroscopic analyses and 16S rRNA gene sequencing were used to understand the in situ ability for solubilization of these predominant forms of P. Locations with more occluded and organic P harbored the greatest abundance of P-mobilizing microorganisms, especially Burkholderiaceae ( Caballeronia and Paraburkholderia spp.). Nearly all bacteria utilized aluminum phosphate, however fewer could subsist on iron phosphate (FePO 4 ) or phytate. Microorganisms isolated from phytic acid were also most effective at solubilizing FePO 4 , suggesting that phytate solubilization may be linked to the ability to solubilize Fe. Significantly, we observed Fe to be co-located with P in organic patches in soil. Siderophore addition in lab experiments reinstated phytase mediated P-solubilization from Fe-phytate complexes. Taken together, these results indicate that metal-organic-P complex formation may limit enzymatic P solubilization from phytate in soil. Additionally, the linked traits of phytase and siderophore production were mostly restricted to specific clades within the Burkholderiaceae . We propose that Fe complexation of organic P (e.g., phytate) represents a major constraint on P turnover and availability in acidic soils, as only a limited subset of bacteria appear to possess the traits required to access this persistent pool of soil P.

59 BASIC BIOLOGICAL SCIENCES↗

Synthesis of Post-fire Monitoring Activities in the Great Basin Desert, Mojave Desert, and Transition Zones

In the deserts of the American Southwest, fire return intervals of centuries to millennia are being replaced by fire return intervals of decades. This increased burn frequency has implications for post-closure management and long-term stewardship for Soils Corrective Action Units (CAUs) and Corrective Action Sites (CASs) on the Nevada National Security Site (NNSS), Tonopah Test Range, and Nevada Test and Training Range for which the U.S. Department of Energy (DOE), Environmental Management-Nevada (EM-NV) is responsible. For many CAUs and CASs, where closure-in-place alternatives were implemented or are being considered, there is a chance that these sites could burn over while they still pose a risk to the environment or human health given the long half-lives of some of the radionuclide contaminants of concern (COCs) (Shafer et al., 2007; Shafer and Gomes, 2009). Although it would have been ideal to conduct a fire-related study at a radionuclide contaminated site on the NNSS to determine how contaminated soils are transported post-fire, it was more practical to examine fires in environments analogous to where Soils Activity CAUs and CASs exist. Therefore, a series of studies were initiated at three radiologically uncontaminated analog sites to better understand the possible effects of wildfire on erosion and sediment transport by wind and water should vegetation at contaminated sites burn at the NNSS. The studies took place at the sites of the Gleason Fire, a prescribed burn that occurred near Ely, Nevada, which is in the Great Basin ecoregion; the White Rock Fire that occurred near Mesquite, Nevada, which is in the Mojave Desert ecoregion; and the Jacob Fire that occurred near Hiko, Nevada, in the transitional zone between the Great Basin Desert and the Mojave Desert. Each site was representative of one of the three ecoregions found on the NNSS. Erosion and vegetation characteristics were measured multiple times post-fire on both burned and unburned test plots at these study sites to compare and monitor the effects of fire over time. However, at the Mojave Desert site, there was an additional burn from nearly 25 years ago that was also compared with the more recent burned areas from 2013. Also, the time elapsed after the fire and the time when sampling began differed among the ecoregions. For example, at the Great Basin site, samples were collected prior to the fire and less than one month after the fire, whereas data collected at the Mojave Desert site did not occur until 22 months after the fire. The differences between the sample measurements and the time that elapsed after the fire may contribute to the variability in the data and the interpretations of the data. Runoff and water erosion were quantified through a series of rainfall and runoff simulation tests in which controlled amounts of water were delivered to the soil surface. Runoff data were collected from different microhabitats (e.g., undercanopies, interspace soils, ridges, and drainage areas). The data showed soil hydrophobicity (i.e., water repellency) on the Great Basin site for up to 12 months after the fire. The soil structure remained changed and weaker on the burned areas compared with the unburned areas for the three-year study period. Although runoff data at both the Great Basin site and transition zone site were highly variable, the post-fire runoff potential did not generally increase at either location after three years of monitoring. Mojave runoff did not differ much between fire ages or between burned and unburned areas, possibly because of the amount of vegetation growing on all three surfaces and because the fire intensity was likely lower relative to other ecoregions due to the amount of space between plants. Additionally, the measurements conducted on the Mojave fire occurred several years after the fire had burned and not within several months of the burn, which may also account for the lack of differences in runoff between burned and unburned locations. Wind erosion was assessed and quantified with a Portable In-Situ Wind ERosion Lab (PI-SWERL) on both the burned and unburned soils of different microhabitats (e.g., ridges, drainages, interspaces between plants, and plant undercanopies). Estimates of emissions (e.g., particulate matter with aerodynamic diameters less than or equal to 10 micrometers, or PM10) at different wind speeds were collected and filter samples were analyzed for chemical composition. The measurements among the fires were similar and the results of the wind erosion measurements indicate that there were seasonal influences on many parameters, but the potential for PM10 windblown dust emissions was higher on burned areas compared with unburned areas. Among the burned areas, drainages produced the most dust emissions, whereas burned ridges were the least emissive. Emissions at the Mojave site and transition zone site were similar between burned and unburned areas approximately three years after the respective fires. Emissions remained much greater on burned soils at the Great Basin site. However, site selection may have also contributed to the differences of emissions among the three study locations. Post-fire vegetation responses were documented for three years following each fire in different microhabitats (e.g., ridge, drainage, undercanopy, and interspace) at the Great Basin and transition zone sites. In 2013, at the Mojave fire site, random permanent plots were established in newly burned areas, areas that burned approximately 25 years ago, and an unburned control area. At each fire site, the regeneration of native plant species dominated the burned areas, but invasive annual grasses were present at each fire site. During the course of each three-year study, the invasive annual grasses increased in density or percentage at both the Great Basin and transition fire sites but not at the Mojave site, where annual invasive grasses remained high throughout the study period. However, the chronosequence data from the Mojave site indicate a transition to different invasive grass species with time. The post-burn vegetation at all three ecoregions is still in the early stages of succession, and shrub size should increase over time and shrub density should decrease over time. However, the recovery of the plant communities to pre-burn compositions may not occur for decades or centuries, or may not occur because of changes in climate and the presence of invasive annual grasses. Results from the three study locations suggested that contaminated soils on the NNSS that experienced wildfire had the potential for soil erosion and transport of contaminated soils. Both wind and soil runoff studies indicated that locations in the Great Basin and transition zone ecoregions were more susceptible to erosion than the Mojave Desert ecoregion, but the highest levels of erosion occurred during the early portions of the study (the first 24 months) and the Mojave Desert was not measured until 22 months after the burn. Additionally, data from the Great Basin indicated deeper soils may increase susceptibility to wind erosion. Historically, the Great Basin and transition zone ecoregions burned more frequently than the Mojave Desert because of fuel abundance and connectivity—and they continue to burn more frequently, particularly after the introduction of invasive grasses (Davies and Nafus, 2013). However, both ecoregions and the transition zone have burned with extensive, high-severity fires when certain weather and fuel conditions are met. For example, the high abundance and productivity of annual grasses and forbs—which are usually produced by above average winter precipitation—combined with early spring and summer warm, dry conditions. Future climate scenarios predict increased temperatures, variable to reduced precipitation, and larger, more extreme wildfires throughout western North America. These predictions suggest that future fires on the NNSS could increase in frequency, intensity, and severity similar to their analog ecosystems throughout the Great Basin and Mojave Desert (Dennison et al., 2014; Abatzoglou andWilliams, 2016; Westerling, 2016).

54 ENVIRONMENTAL SCIENCES↗

Experimental and theoretical study of the restrained shrinkage cracking of early age well cement

The shrinkage cracking occurring in oil & gas well cement material is a major factor that reduces the cement sheath integrity and impairs the durability of an underground well. Shrinkage mainly takes place in the early hydration period of the cement, and the resulting restrained shrinkage cracking can form a leaking network for oil & gas or carbon dioxide stored in an underground reservoir. It is thus important to understand the early age behavior of well cement and the leaking pathway formation in the well. This study describes the application of the digital image correlation (DIC) method as a tool to measure the strain development and crack distributions of well cement in the lab during early phase changes. A theoretical model is presented to calculate the stress distribution built up in the cement sheath during early ages of well cement hydration, which helps to interpret the experimental observations and determine the major factors influencing the cracking sequences. This study presents the whole hydration – drying shrinkage – and cracking mechanism of early age well cement under restrained ring conditions experimentally and theoretically. Finally, the results offer useful insights on the key material and geometric parameters which control the fracture of a well cementing structure.

36 MATERIALS SCIENCE↗

Investigation of Anomalous Thread Wear in EDS Vessels

Potential causes of anomalous thread wear observed on EDS system fasteners were investigated using the V25 two-piece clamped vessel as a test bed. Thread wear and metal particulate were analyzed across operational conditions. Despite intensive testing, galling wear was not triggered, reducing uncertainty about design tolerances, material selection, and environmental factors. Minimum service life benchmarks were established for two-piece clamp fasteners under normal EDS conditions.

42 ENGINEERING↗

Ferroelectricity of wurtzite Al 1−x Hf x N heterovalent alloys

Thin films of aluminum hafnium nitride (Al1−xHfxN) were synthesized via reactive magnetron sputtering for Hf contents up to x = 0.13. X-ray diffraction showed a single c-axis oriented wurtzite phase for all films. Hard x-ray photoelectron spectroscopy demonstrated homogeneous Al:Hf distribution through the thin films and confirmed their insulating character. A collection of complementary tests showed unambiguous polarization inversion, and thus ferroelectricity in multiple samples. Current density vs electric field hysteresis measurements showed distinct ferroelectric switching current peaks, the piezoelectric coefficient d 33,f,meas measured using a double beam laser interferometer (DBLI) showed a reversal in sign with similar magnitude, and anisotropic wet etching confirmed field-induced polarization inversion. This demonstrates the possibility of using tetravalent–and not just trivalent–alloying elements to enable ferroelectricity in AlN-based thin films, highlighting the compositional flexibility of ferroelectricity in wurtzites and greatly expanding the chemistries that can be considered for future devices.

36 MATERIALS SCIENCE↗

Machine-learned closure of URANS for stably stratified turbulence: connecting physical timescales & data hyperparameters of deep time-series models

Stably stratified turbulence (SST), a model that is representative of the turbulence found in the oceans and atmosphere, is strongly affected by fine balances between forces and becomes more anisotropic in time for decaying scenarios. Moreover, there is a limited understanding of the physical phenomena described by some of the terms in the Unsteady Reynolds-Averaged Navier–Stokes (URANS) equations—used to numerically simulate approximate solutions for such turbulent flows. Rather than attempting to model each term in URANS separately, it is attractive to explore the capability of machine learning (ML) to model groups of terms, i.e. to directly model the force balances. We develop deep time-series ML for closure modeling of the URANS equations applied to SST. We consider decaying SST which are homogeneous and stably stratified by a uniform density gradient, enabling dimensionality reduction. We consider two time-series ML models: long short-term memory and neural ordinary differential equation. Both models perform accurately and are numerically stable in a posteriori (online) tests. Furthermore, we explore the data requirements of the time-series ML models by extracting physically relevant timescales of the complex system. We find that the ratio of the timescales of the minimum information required by the ML models to accurately capture the dynamics of the SST corresponds to the Reynolds number of the flow. The current framework provides the backbone to explore the capability of such models to capture the dynamics of high-dimensional complex dynamical system like SST flows.

97 MATHEMATICS AND COMPUTING↗

Evaluating Thermostats' Deadbands Using HVAC Hardware-In-the-Loop Experiment for Advanced Control Strategies

Smart thermostats have gained significant popularity due to their potential for optimizing energy consumption and enhanced user control while ensuring occupants' comfort. The deadband, also referred to as temperature differential, is defined as the temperature difference between the desired setpoint and upper threshold or lower threshold for the HVAC equipment to turn on. It is a key factor influencing energy efficiency and user satisfaction. This paper presents a comparative analysis of the deadbands of five different smart thermostats, tested with a heat pump, aiming to identify variations in their deadband settings and implications for energy management. The experimental study was conducted using a HVAC hardware-in-theloop (HIL) system that integrates smart thermostats with physical HVAC equipment in a simulated house environment. The study explores the trade-offs between energy efficiency and occupant comfort and highlights how different thermostats participating in demand response event cycle differently based on their deadband settings. The findings offer valuable insights into how selecting the right thermostat or configuring smart thermostat with appropriate deadband settings can be leveraged to enhance demand response capabilities, shift loads effectively and improve operational flexibility in HVAC systems.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Evaluating Thermostats' Deadbands Using HVAC Hardware-In-the-Loop Experiment for Advanced Control Strategies: Preprint

Smart thermostats have gained significant popularity due to their potential for optimizing energy consumption and enhanced user control while ensuring occupants' comfort. The deadband, also referred to as temperature differential, is defined as the temperature difference between the desired setpoint and upper threshold or lower threshold for the HVAC equipment to turn on. It is a key factor influencing energy efficiency and user satisfaction. This paper presents a comparative analysis of the deadbands of five different smart thermostats, tested with a heat pump, aiming to identify variations in their deadband settings and implications for energy management. The experimental study was conducted using a HVAC hardware-in-theloop (HIL) system that integrates smart thermostats with physical HVAC equipment in a simulated house environment. The study explores the trade-offs between energy efficiency and occupant comfort and highlights how different thermostats participating in demand response event cycle differently based on their deadband settings. The findings offer valuable insights into how selecting the right thermostat or configuring smart thermostat with appropriate deadband settings can be leveraged to enhance demand response capabilities, shift loads effectively and improve operational flexibility in HVAC systems.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Additive Manufacturing Interface Profiles for Jet Studies on the Vertical Shock Tube

Understanding the mixing between two fluids of disparate densities (i.e., variable density mixing) is important for the lab's mission. Experiments are required to validate our codes, such as RAGE, FLAG, and the BHR mix model. The role initial conditions (ICs) have on instability growth and the transition to turbulence is not completely understood and comparisons with experiments are needed. The Extreme Fluids team focuses on experiments at Los Alamos that utilize gases and low shock velocities (Mach <2 in air). These experiments have the advantage of high fidelity diagnostics capable of temporally and spatially resolved velocity and density measurements. One main difficulty is setting up a specific interface profile between the two gases. While attempts have been made to do so without the aid of a solid structure (i.e., a membrane), the results are limited in the range of possible shapes and reproducibility. Membranes provide the best way to provide a deterministic initial condition. However, fragments from the membrane can interfere with the flow and instability growth, as well as the diagnostics. In this project, we focused on exploring the materials and techniques available via modern additive manufacturing (i.e., 3D printing) to test if they could address some of the shortcomings of prior membrane designs. Our goal was to find a material that would have minimal impact on our experiment while also providing us with a means to produce complex initial conditions. This report details our work to explore the range of additive manufacturing capabilities and the jet-like structures we were able to generate using three-dimensional initial conditions.

36 MATERIALS SCIENCE↗

Performance Results on CPU/GPU Exascale Architectures for OMEGA: The Ocean Model for E3SM Global Applications

The US Department of Energy (DOE) conducts climate simulations on some of the world’s largest supercomputers. These exascale machines use heterogeneous architectures with both CPUs and GPUs, and scientific codes must adapt to make full use of this computing power. Los Alamos National Lab is developing Omega: The Ocean Model for E3SM Global Applications, which is specifically designed for modern exascale computers. It uses external libraries that have been optimized for a variety of architectures to run on different supercomputers. Omega is an unstructured-mesh ocean model based on TRiSK numerical methods. It will be the new ocean component of the DOE’s Energy Exascale Earth System Model (E3SM). The algorithms in Omega follow those of the current ocean component, MPAS-Ocean, but it will be written in C++ rather than Fortran to take advantage of the Kokkos performance portability library. Omega spatial operators are written as Kokkos kernels to run efficiently on both CPUs and GPUs. Work on Omega began in 2023 with a new C++ framework for unstructured mesh partitioning, halo exchanges, parallel IO, and Kokkos interfaces. The current version, Omega-0, is being developed to solve the shallow water equations and at present includes all of the tendency terms but not time stepping. Here we share the results of Omega-0 verification and performance testing. Verification includes unit tests implemented with CTest as well as convergence tests in Polaris, an in-house python package with a large suite of test problems. Performance tests compare simulations conducted on CPUs versus GPUs and across different architectures: tests are run on Frontier, which has AMD “Optimized 3rd Gen EPYC” CPUs and AMD MI250X GPUs, as well as Perlmutter, which is composed of AMD EPYC 7763 CPUs and NVIDIA A100 GPUs.

58 GEOSCIENCES↗

Chronic Cardiotoxicity Assays Using Human Induced Pluripotent Stem Cell-Derived Cardiomyocytes (hiPSC-CMs)

Cardiomyocytes (CMs) differentiated from human induced pluripotent stem cells (hiPSCs) are increasingly used in cardiac safety assessment, disease modeling and regenerative medicine. A vast majority of cardiotoxicity studies in the past have tested acute effects of compounds and drugs; however, these studies lack information on the morphological or physiological responses that may occur after prolonged exposure to a cardiotoxic compound. In this review, we focus on recent advances in chronic cardiotoxicity assays using hiPSC-CMs. We summarize recently published literature on hiPSC-CMs assays applied to chronic cardiotoxicity induced by anticancer agents, as well as non-cancer classes of drugs, including antibiotics, anti-hepatitis C virus (HCV) and antidiabetic drugs. We then review publications on the implementation of hiPSC-CMs-based assays to investigate the effects of non-pharmaceutical cardiotoxicants, such as environmental chemicals or chronic alcohol consumption. We also highlight studies demonstrating the chronic effects of smoking and implementation of hiPSC-CMs to perform genomic screens and metabolomics-based biomarker assay development. The acceptance and wide implementation of hiPSC-CMs-based assays for chronic cardiotoxicity assessment will require multi-site standardization of assay protocols, chronic cardiac maturity marker reproducibility, time points optimization, minimal cellular variation (commercial vs. lab reprogrammed), stringent and matched controls and close clinical setting resemblance. A comprehensive investigation of long-term repeated exposure-induced effects on both the structure and function of cardiomyocytes can provide mechanistic insights and recapitulate drug and environmental cardiotoxicity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Timelike Compton Scattering from a longitudinally polarised target with CLAS12 at Jefferson Lab

Explorations into the internal dynamics of hadrons are constantly evolving, and the requirement for experimental results to verify theoretical models of hadron structure is paramount. A key area in this field is the study of Generalised Parton Distributions (GPDs), which are functions used to model the momenta of quarks and gluons within hadrons, and the methods to access GPDs experimentally. One such scattering process that allows access to these is Timelike Compton Scattering. TCS complements existing Deeply Virtual Compton Scattering experiments and allows investigation into the universality of GPDs through access to the real and imaginary parts of the parton helicity independent GPD Hq via beam spin asymmetries (BSA), and it provides novel access to the real and imaginary parts of the parton helicity dependent GPD ˜Hq through target polarisation asymmetries (TSA). This thesis work presents a comparative study with the first published BSA for TCS at the Thomas Jefferson National Accelerator Facility (JLab), alongside a first time extraction of a Target Spin Asymmetry with the Summer 2022 data taking run. JLab hosts the Continuous Electron Beam Accelerator Facility (CEBAF) which provides a 12 GeV electron beam to four experimental halls. Hall-B contains the CEBAF Large Acceptance Spectrometer, which took data across three run periods on a longitudinally polarised NH3 and ND3 fixed target from 2022-2023, to extract measurements of electron-proton scattering, from which a TCS signal could be extracted. The thesis discusses work done to understand and eliminate contributions from the non-/low-polarised nuclear background, testing pre-established cuts to eliminate pion background from a dilepton (e+e-) final state and modifying them as needed for the new experimental run, and attempts to hone in on a clean TCS signal from which to extract the two asymmetry observables. A comparison with existing BSA results was performed; however, the statistical errors are too large to draw a significant conclusion as to whether there is agreement across each bin. More data is needed for a multidimensionally binned extraction. A proof of principle was achieved in the TSA measurements, with two out of four kinematic bins showing preliminary agreement in shape with theoretical values. Again, the errors are significant due to the contributions from the nuclear background. To support these conclusions, a further study was done, which takes into account an estimate of the asymmetries with the full available dataset (this thesis is based only on data taken in the summer set; at the time of writing processing was still being conducted for the final two datasets), as well as an estimate including additional future experiment days that were awarded in July 2024. Additional work was done on a secondary project exploring the feasibility of measuring TCS at the upcoming Electron Ion Collider, supporting the design proposal for the detector for the first interaction region and giving a positive outlook for the future of these types of measurements beyond JLab.

Gates, Kayleigh [Univ. of Glasgow, Scotland (Unite↗

AnisONet: A deep neural operator-based anisotropic permeability upscaler from pore to Darcy scale

Directional permeability variations, which govern directional fluid flow in porous media with anisotropy, are important to accurately predict flow behavior, reactive transport, and fluid–solid interactions for various processes such as enhanced geothermal systems, energy storage devices, and biological systems. However, the intricate architecture of porous media makes it difficult to predict directional permeabilities. In this work, we present a novel machine learning (ML) framework, AnisONet, built upon an integration of a convolutional neural network, Swin transformer, and the deep operator network architecture, designed to predict anisotropic permeability and upscale predictions to larger spatial domains. First, AnisONet was evaluated with three classes of two-dimensional (2D) porous media, including synthetic circular and elliptical grains and natural sandstone grains from micro-computed tomography images. A lattice Boltzmann model (LBM) was used to calculate directional permeabilities at every 10° angle, producing 19 data points per image of porous media. AnisONet is then trained to predict permeability as a function of rotation angle. AnisONet showed strong predictive capability of directional permeability. Second, we tested our model for five upscaling cases with a large image size in the finite-element method (FEM) for 2D Darcy flow with various permeability tensor construction methods. Overall, upscaled permeability tensors in FEM simulations produce a reasonably good match with LBM results, highlighting the importance of selecting appropriate tensor formation strategies for accurate permeability upscaling. AnisONet, as a directional permeability estimator, could be further developed for more complex geometries, with the potential to develop a foundational ML model for various applications in porous media.

42 ENGINEERING↗

Using synthetic infrared spectra derived from n/k optical constants for standoff detection of chemical deposits

We report results from a recent field experiment to test the validity of using physics-based synthetic infrared spectra to serve as endmembers in a spectral database targeted at chemical deposits. Specifically, the optical constants n and k, (the real and imaginary part of the refractive index) were used to first model infrared reflectance spectra for different thicknesses of chemical layers (e.g. acetaminophen, methylphosphonic acid – MPA, etc.) on various conducting and insulating substrates such as aluminum, wood, and glass. In the experimental portion of the research, thin films of the solid and liquid analytes were deposited onto such substrates to form micron-thick layers of the analytes at different thicknesses: Standoff data from an imaging instrument were then recorded and analyzed to not only identify the different analytes, but also quantify the layer/deposit thickness. To gauge success, the detection results using the synthetic data were compared to the results from hemispherical reflectance (HRF) spectra that were collected for the same sample planchets measured in the field via standoff methods. Preliminary results indicate good agreement between the synthetic reference data as compared to the lab-measured HRF data in terms of their ability to quantitatively reduce longwave infrared data. Specifically, modeled IR spectra for acetaminophen on an aluminum planchet at various thicknesses (1, 2, 5, 10, 15, and 20 µm) were synthesized and compared with standoff field reflectance data as well as HRF laboratory reflectance spectra for two samples: a 5.2 µm- and 12.8 µm-thick layer of acetaminophen on aluminum. Using a first-order approximation, analysis of the field data estimates the thicknesses of the samples to be 2 and 10 µm for the two samples, respectively, while the HRF laboratory data yields thickness estimates of between 5-10 µm and 10 µm, respectively. Both yield reasonable estimates, with the uncertainty most likely due to factors yet to be accounted for in the synthetic spectra such as light scattering.

complex index of refraction, optical constants, hy↗

Study of the integrity of pressurized LEH window assemblies at cryogenic temperatures for NIF targets

The National Ignition Facility (NIF) is a directorate of LLNL, a DOE Lab, and is home to the world’s largest laser. This laser shoots its 192 beams at a target about the size of a pencil eraser. Within the target are two main chambers; and depending on the type of shot, those chambers need to be pressurized to a certain point at a very low temperature (18 Kelvin). The component used for keeping the hohlraum at its designated pressure is a Laser Entrance Hole (LEH) window, made from a thin (0.5um) polyimide film and an aluminum washer attached with a miniscule amount of polymeric adhesive. One issue that has been known to happen is the chambers will leak, at very low rates (5.0E-7 mBar-liter/s and under). At higher pressures significantly larger leak rates have been observed.There are three proposed mechanisms by which the LEH windows are leaking. The first is that there is a small pinhole somewhere in the freestanding film. This is the most unlikely because before any film is shipped from Luxel, it must pass a 50-75 torr room temperature pressure test. The second is a tear in the film at the edge of the washer. This type of damage suggests that the film is under additional stress at this edge portion and/or the edge of the washer itself is what is doing the damage. Lastly, it has been hypothesized that there are small channels under the window that do not get completely filled by the glue and, if they connect to the edge of the freestanding portion of the film, then the pressure can escape through them. These channels were the mechanism being most directly tested over the course of the experiments.

42 ENGINEERING↗

The effect of grain boundary yield and disconnections on grain boundary fracture strength

During high-temperature interfacial strain, e.g., creep or sintering, grain boundaries will sample non-equilibrium states associated with the non-equilibrium disconnections that mediate strain. This work tests the hypothesis that those non-equilibrium states should affect the mechanical properties of the grain boundary. High-temperature bicrystal tensile strain experiments performed on Sc-doped ZrO 2 as a function of strain rate enable the observation of fracture before and after grain boundary yield. Yielded boundaries exhibit a median fracture strength ≈ 50 % lower than those that did not yield. Molecular dynamics simulations performed on boundaries with and without interstitial-type disconnection loops indicate that the presence of those loops reduce the failure stress.

36 MATERIALS SCIENCE↗

Angular-spatial hp -adaptivity for radiative transfer with discontinuous Galerkin spectral element methods

Radiative transfer is important for many science and engineering applications, and numerical simulations of radiative transfer can be challenging. For instance, the radiation field is seven-dimensional – three spatial, two angular, one wavelength, and one temporal – and often features steep gradients. Therefore, memory usage is a key issue. To reduce memory, some past work has investigated the use of adaptive mesh refinement (AMR), typically for either the spatial or angular coordinate, and typically for only h -adaptivity. Here, we propose the use of AMR for the spatial and angular coordinates together, and the use of h - and p -adaptivity together as hp -AMR for the potential for further memory savings. We implemented the proposed method for several test cases in two spatial and one angular dimension, with the discontinuous Galerkin spectral element method. These test cases featured highly anisotropic angular radiation, with or without steep spatial gradients. Our primary findings from these test cases were: (1) Angular hp -adaptivity can deliver the radiation solution with the same accuracy as, and with much less computational memory than, uniform angular h - or p -refinements, or angular h -adaptivity alone. This is most obvious when the incoming radiation is highly anisotropic, in which case the savings can be orders of magnitude. (2) Full spatial-angular hp -adaptivity is more efficient in solution representation, compared to solely spatial or solely angular -adaptivity. This is most evident when steep gradients are present in both the spatial and angular distribution. These results suggest that adaptive spatial- hp angular-refinement may perform well in large-scale seven-dimensional applications.

Adaptive refinement↗

Gamma imaging and mapping advancements

The Savannah River National Lab (SRNL) in partnership with Los Alamos National Lab (LANL) developed an in-situ GrayQb™ radiation mapping device eliminating the need to remove the radiation sensitive phosphor storage plate (PSP) from the device for scanning between exposures. By incorporating a customized version of the LANL patented MiniMax camera-based PSP reader system into the GrayQb™ housing, the exposed PSP can now be read in-situ and digitally transmitted to a remote computer for viewing. The ability to generate radiation contour maps showing source locations and relative radiological levels present in an area has high utility for targeting clean-up efforts, maintaining worker ALARA, determining leak locations and radiological situational awareness. In-situ GrayQb™ reduces the number of required interactions with the device providing deployment cost savings, increasing personnel safety and removing human handling errors during the manual scan process. Additionally, by negating the need for an external scanner, the device becomes more mobile. Other upgrades to the device included identification of a more sensitive imaging medium and incorporation of a dual pinhole rendering the device physically capable of obtaining 3D images. Laboratory tests with Am-241 sources using a mockup of the in-situ GrayQ™, successfully demonstrated the ability to digitally capture radiation source information using the dual pinhole and camera-based PSP reader.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗