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Design and Technology Maturation of the Stratospheric Projectile Experiment of Entry Dynamics

The supersonic and transonic dynamic stability of blunt-body reentry vehicles currently poses large risks in all of NASA’s ongoing entry missions (MSR SRL, MSR EES, and Dragonfly). These projects have allocated millions of dollars to testing and modeling efforts to buy down risk by using the current state-of-the-art (SoA) facilities at NASA’s disposal. While these facilities have heritage in supplying dynamics data to reentry missions, their availability is severely limited – particularly with the high number of concur-rent projects requesting simultaneous testing– and are costly when considering the science density per dollar. None of the current SoA facility methodologies allow the test model to have the dynamics fully develop through a flight relevant free-stream profile and as such require extrapolations with resultant high uncertainties in order to relate the test dynamics to flight expectations. SPEED is a NASA Ames Center Innovation Fund (CIF) project that is developing a highly tailorable and cost-effective test methodology to better assess the dynamic stability of blunt-body reentry vehicles via a stratospheric balloon flight. This is accomplished by dropping a suite of instrumented capsules from a stratospheric balloon to gain a statistically relevant dataset of scaled reentry vehicles in mission relevant free-flight conditions. This presentation will walk through how the test methodology is being implemented specifically for the Mars Sample Return (MSR) Earth Entry System (EES) geometry in an awarded Flight Opportunities Program (FOP) test flight in early CY24. SPEED Application to MSR: SPEED consists of three main mechanical systems: the Drop Platform, the Projectile, and the test Capsule. SPEED is being developed as a set of guidelines and recommendations for how to test with the proposed Concept of Operations (Conops) since the specific design parameters will vary depending on the specific project’s reference trajectory and entry vehicle design. As such, this presentation will walk through the development time-line as shown in Fig. 2. This is meant to serve as a blueprint for further missions as desired. Mechanical and Avionics Design. The SPEED test platform designed for the MSR-EES capsule geometry with nominal entry parameters has the ability to carry 10 Capsules to altitude instrumented with: 1. 3-Axis Accelerometer 2. IMU 3. Gyroscope 4. Magnetometer 5. Pressure Transducer cruciform 6. Uplook and Horizon Cameras To package the avionics/instrumentation suite, the capsule is approximately 1’ in diameter with the Outer Mold Line (OML) centroid-scaled from the full EES design. The internal volume is gutted and custom-shaped to fit the desired instrumentation suite, as well as to allow for the positioning of ballast mass such that the Center of Gravity is analogous to the flight vehicle. All structural components in the Capsule and Projectile are 3D printed, which significantly reduces the cost of each flight unit to around $1500 including all instrumentation, avionics, and structural components. Flight Conops. The test Capsule is accelerated to the desired altitude and Mach number while stowed in the Projectile, a missile-like vehicle consisting of steel ballast in the nose, a low-drag OML, and an Ejection Mechanism to reliably release the Capsule into the free-flow supersonic conditions. For the MSR-EES design, the capsule employs ~3kg of ballast mass at the nose to accelerate the 1.25kg test Capsule to ~Mach 1.7 at 23km altitude. This requires an initial release altitude of 40km, the quoted limit of a 80kg payload by the FOP-contracted balloon provider. Once the Ejection Mechanism avionics detect the proper conditions, the spring-loaded Ejection Mechanism will release and – guided by the sabot – expose the test Capsule to the desired test conditions for ~5 seconds of free-flight in the supersonic/transonic regimes. Dynamics in the subsonic regime will also be captured with the instrumentation suite with post-flight recovery operations aimed at recovering the high-G-load capable SD cards after the planned hard impact landings. Testing and Development: In the few months the SPEED project has worked the development of MSR-EES flight test, the team has performed lab and drone based testing which this presentation will overview. After the first design phase, the team fabricated Engineering Demonstration Units (EDUs) of all subsystems to perform validation testing shown in Fig. 5. After validation was completed on the subsystem level, a drone-drop test was performed at the recreational flight ceiling of 400ft altitude to assess the SPEED systems in a flight environment. Parameters such as in-flight stability, hard impact landing performance, and avionics performance were quantified and qualified. The FY23 CIF will culminate in a helicopter drop test aboard an Air National Guard Blackhawk. This will prepare the team for the CY24 FOP stratospheric balloon flight that should provide the final verification to begin offering the test platform for mission support. Focus of Presentation: This presentation will outline the technology maturation path of the SPEED implementation to the MSR-EES capsule baseline as well as the details regarding the mechanical system, avionics and instrumentation, and flight operations. Note that a complementary presentation is being submitted for a methodology overview of the SPEED test platform, introducing the testing technique and benefits as well as the full application space of the technology.

pitch damping coefficient↗

Canopy spectral reflectance along the NGEE-Arctic tram transect, Utqiagvik (Barrow), Alaska, 2015-2017

Full-spectrum (350-2500 nm) canopy spectral reflectance measured in July 2015, 2016 and 2017 along the NGEE-Arctic tram located on the Barrow Environmental Observatory (BEO), Barrow, Alaska. Measurements were made using a SVC HR1024i spectroradiometer mounted on a manually operated instrument cart. Spectra were collected at 137 stop points at 0.5 m intervals along the tram transect, with each measurement calibrated to variable illumination conditions using a Spectralon white plate. Data were collected in July, 2015-2016, and in June, July and September in 2017. Processed spectral data are presented in .csv and .xlsx files for each year and the complete SVC instrument output (.sig) are also included in .zip files. The data package includes some photographs showing the tram transect and spectroradiometer setup and a written protocol with details of equipment used and methods.The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research.The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska.Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗

Earth's 2006 Encounter with Comet 73P/Schwassmann-Wachmann: Products of Nucleus Fragmentation Seen in Closeup

The large numbers of nucleus fragments observed are a spectacular illustration of the process of cascading fragmentation in progress, a concept introduced to interpret the properties of the Kreutz system of sungrazers and comet D/1993 F2. The objective is to describe the fragmentation sequence and hierarchy of comet 73P, the nature of the fragmentation process and observed events, and the expected future evolution of this comet. The orbital arc populated by the fragments refers to an interval of 3.74 days in the perihelion time. This result suggests that they all could be products (but not necessarily first-generation fragments) of two 1995 events, in early September (involving an enormous outburst) and at the beginning of November. The interval of perihelion times is equivalent to a range of about 2.5 m/s in separation velocity or 0.00012 the Sun's attraction in nongravitational deceleration. Their combined effect suggests minor orbital momentum changes acquired during fragmentation and decelerations compatible with survival over two revolutions about the Sun. Fragment B is a likely first-generation product of one of the 1995 events. From the behavior of the primary fragment C, 73P is not a dying comet, even though fragment B and others were episodically breaking up into many pieces. Each episode began with the sudden appearance of a starlike nucleus condensation and a rapidly expanding outburst, followed by a development of jets, and a gradual tailward extension of the fading condensation, until the discrete masses embedded in it could be resolved. In April-May, this debris traveled first to the southwest, but models show their eventual motion toward the projected orbit. Fainter fragments were imaged over limited time, apparently because of their erratic activity (interspersed with periods of dormancy) rather than improptu disintegration. A dust trail joining the fragments and reminiscent of comet 141P/Machholz suggests that cascading fragmentation exerts itself profoundly over an extremely broad mass range of particulate debris.

daya analysis↗

NGEE Arctic Leaf Spectral Reflectance and Transmittance, Barrow, Alaska, 2014-2016

Data were collected to characterize the leaf-level optical properties and albedo of dominant Arctic tundra species in the Barrow, AK area and to enable trait scaling. Measurements of full-spectrum (i.e. 350-2500nm) leaf spectral reflectance of Arctic plant species. Data were collected in Barrow, Alaska during the 2014-2016 period. This dataset contains 5 zipped folders, 4 csv, 4 xlsx, 1 txt, and 1 pdf files.The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research.The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska.Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗

A total of 19 months of daily weather logging on the US east coast: the WFIP3 event log

The Third Wind Forecast Improvement Project (WFIP3) is a multi-institutional field campaign designed to advance the understanding and prediction of the offshore atmospheric boundary layer along the US east coast. Extending from February 2024 through August 2025, WFIP3 combines long-term coastal and offshore measurements with targeted modeling and forecasting efforts. This data paper presents the WFIP3 event log, a curated record of 578 d of meteorological phenomena and field observations that complements the campaign's extensive high-frequency datasets. The event log provides both manually documented daily weather discussions and automatically derived indicators of atmospheric processes – including low-level jets, wind ramps, extreme wind veer, and weak wind conditions – based on observations from scanning lidars deployed at three coastal and offshore sites. The dataset offers structured metadata, standardized time and site identifiers, and consistent terminology to facilitate its integration with WFIP3's observational and modeling data products. The log supports diverse applications, from model evaluation and forecast verification to the selection of case studies on offshore boundary-layer dynamics. The WFIP3 event log is publicly available through the US Department of Energy's Wind Data Hub, providing the research community with a transparent and enduring contextual reference for the interpretation and use of WFIP3 measurements.

17 WIND ENERGY↗

Near-global summer circulation response to the spring surface temperature anomaly in Tibetan Plateau –– the GEWEX/LS4P first phase experiment

Subseasonal to seasonal (S2S) prediction of droughts and floods is one of the major challenges of weather and climate prediction. Recent studies suggest that the springtime land surface temperature/subsurface temperature (LST/SUBT) over the Tibetan Plateau (TP) can be a new source of S2S predictability. The project “Impact of Initialized Land Surface Temperature and Snowpack on Subseasonal to Seasonal Prediction (LS4P)” was initiated to study the impact of springtime LST/SUBT anomalies over high mountain areas on summertime precipitation predictions. The present work explores the simulated global scale response of the atmospheric circulation to the springtime TP land surface cooling by 16 current state-of-the-art Earth System Models (ESMs) participating in the LS4P Phase I (LS4P-I) experiment. The LS4P-I results show, for the first time, that springtime TP surface anomalies can modulate a persistent quasi-barotropic Tibetan Plateau-Rocky Mountain Circumglobal (TRC) wave train from the TP via the northeast Asia and Bering Strait to the western part of the North America, along with the springtime westerly jet from TP across the whole North Pacific basin. The TRC wave train modulated by the TP thermal anomaly play a critical role on the early summer surface air temperature and precipitation anomalies in the regions along the wave train, especially over the northwest North America and the southern Great Plains. The participant models that fail in capturing the TRC wave train greatly under-predict climate anomalies in reference to observations and the successful models. These results suggest that the TP LST/SUBT anomaly via the TRC wave train is the first order source of the S2S variability in the regions mentioned. Furthermore, the TP surface temperature anomaly can influence the Southern Hemispheric circulation by generating cross-equator wave trains. However, the simulated propagation pathways from the TP into the Southern Hemisphere show large inter-model differences. More dynamical understanding of the TRC wave train as well as its cross-equator propagation into the Southern Hemisphere will be explored in the newly launched LS4P phase II experiment.

54 ENVIRONMENTAL SCIENCES↗

Differentiable Multiphysics Codes: A Breakthrough Technology for Simulation and Computing

This document summarizes the findings of a strategic planning exercise commissioned by the Weapons Simulation and Computing, Computational Physics (WSC/CP) program at the Lawrence Livermore National Laboratory (LLNL) in FY24. During the year, the committee met with multiple stakeholder communities to gather input, opinions, suggestions and concerns which have been incorporated throughout this document. The key findings from this exercise are summarized: • The development of multiphysics modelling and simulation (mod/sim) codes and software technologies, their deployment on exascale compute platforms, and their broad adoption across the NNSA is a major success of the Advanced Simulation and Computing (ASC) program and the Exascale Computing Project (ECP). Sustained investment in these core technologies is essential. • Today’s state of the art involves running ensembles of O(100K) simulations to perform uncertainty quantification (UQ) and design studies using multiple statistical methods such as Bayesian optimization to understand sensitivities of our models and explore parameterized design spaces. Even with exascale computing, we are practically limited to O(10) parameters in these studies since the number of simulations required to sample the space scales exponentially with the number of design parameters. • The data from these simulation ensembles is increasingly being used to train machine learned (ML) surrogates (or reduced order models, ROMs) which can then be used for optimization or real time design exploration. However, the trained surrogates are still limited in the number of parameters they can represent due to the sampling limitations previously noted. • Augmenting our suite of integrated multiphysics simulation codes, both current and emerging, with the ability to compute gradients (solution derivatives) of arbitrary simulation outputs with respect to (some or all) simulation inputs would be a breakthrough technology, opening the door to a new era of efficient and automated inverse design based on verified and validated mod/sim capabilities. • This capability, which we refer to as differentiable multiphysics codes (DMCs), would revolutionize both UQ and optimization studies by breaking the curse of dimensionality that presently limits our “gradient-free” ensemble based computing approach. A similar breakthrough occurred in the AI/ML community once the ability to compute gradients of arbitrary loss functions using back-propagation became commonplace. Gradient information from the multiphysics codes can also be used to dramatically improve the efficiency and scale of training of ML/ROM surrogates for rapid assessments. • Achieving this in our suite of codes will be a grand challenge, similar to the amount of effort that was required to transition from CPU to GPU computing. It will require buy-in from the entire WSC/CP program and beyond, including all integrated codes, physics and engineering models, third-party library dependencies and performance portability abstractions. It will also require investment in research and development of numerical methods for computing adjoints of coupled physics across multiple adaptively refined moving meshes and of stochastic (Monte Carlo) and mesh free (SPH) methods. • New software and numerical techniques, largely pioneered by the AI/ML community, make this feasible. Chief among these is automatic differentiation (AD), the ability to employ AD at point-wise locations in a physics calculation (instead of traditional black-box approaches) and the ability to perform “back-propagation in time” (or reverse mode AD) for non-linear partial differential equations (PDEs). Fundamentally, the conclusion of this strategic planning exercise is that the time is right to undertake a large scale effort in WSC, centered on the existing integrated codes, to continue the natural evolution of mod/sim in the age of AI/ML. Instead of attempting to replace mod/sim with purely data driven AI/ML models, we believe the key to success is to integrate AI/ML by building on top of the decades of hard-won knowledge and the verified/validated multiphysics modelling capability that is the hallmark of the ASC program.

97 MATHEMATICS AND COMPUTING↗

TU-EF-204-11: Impact of Using Multi-Slice Training Sets On the Performance of a Channelized Hotelling Observer in a Low-Contrast Detection Task in CT

Purpose: To investigate using multiple CT image slices from a single acquisition as independent training images for a channelized Hotelling observer (CHO) model to reduce the number of repeated scans for CHO-based CT image quality assessment. Methods: We applied a previously validated CHO model to detect low contrast disk objects formed from cross-sectional images of three epoxy-resin-based rods (diameters: 3, 5, and 9 mm; length: ∼5cm). The rods were submerged in a 35x 25 cm2 iodine-doped water filled phantom, yielding-15 HU object contrast. The phantom was scanned 100 times with and without the rods present. Scan and reconstruction parameters include: 5 mm slice thickness at 0.5 mm intervals, 120 kV, 480 Quality Reference mAs, and a 128-slice scanner. The CHO’s detectability index was evaluated as a function of factors related to incorporating multi-slice image data: object misalignment along the z-axis, inter-slice pixel correlation, and number of unique slice locations. In each case, the CHO training set was fixed to 100 images. Results: Artificially shifting the object’s center position by as much as 3 pixels in any direction relative to the Gabor channel filters had insignificant impact on object detectability. An inter-slice pixel correlation of >∼0.2 yielded positive bias in the model’s performance. Incorporating multi-slice image data yielded slight negative bias in detectability with increasing number of slices, likely due to physical variations in the objects. However, inclusion of image data from up to 5 slice locations yielded detectability indices within measurement error of the single slice value. Conclusion: For the investigated model and task, incorporating image data from 5 different slice locations of at least 5 mm intervals into the CHO model yielded detectability indices within measurement error of the single slice value. Consequently, this methodology would Result in a 5-fold reduction in number of image acquisitions. This project was supported by National Institutes of Health grants R01 EB017095 and U01 EB017185 from the National Institute of Biomedical Imaging and Bioengineering.

60 APPLIED LIFE SCIENCES↗

Advances in understanding the changes of tropical rainfall annual cycle: a review

Abstract Aided by progress in the theoretical understanding, new knowledge on tropical rainfall annual cycle changes under a global warming background has been advanced in the past decade. In this review, we focus on recent advances in understanding the changes of tropical rainfall annual cycle, including its four distinct features: amplitude, spatial pattern shift, phase and wet/dry season length changes. Here, amplitude refers to the local summer-winter rainfall contrast and phase refers to the timing of rainfall annual cycle. In a warming climate, the amplitude is enhanced, more evidently over ocean, while the phase is delayed, mainly over land. The former is explained by the wet-get-wetter mechanism and the latter is explained by the enhanced effective atmospheric heat capacity and increased convective barrier. The phase delay over land has already emerged in the past four decades. The spatial pattern shift under warming is marked by two features: equatorward shift of the ITCZ throughout the year and the land-to-ocean precipitation shift in the rainy season. The former is explained by the upped-ante mechanism and/or related to the enhanced equatorial warming in a warmer world. The latter may be caused by the opposite land and ocean surface temperature annual cycle changes in the tropics. Over tropical rainforest regions such as Amazon and Congo Basin, the dry season has lengthened in the recent decades, but the fundamental reason is still unclear. Despite the notable progress in the research of tropical rainfall annual cycle change, many gaps remain in understanding its mechanisms, quantifying and attributing its historical emergence, narrowing the inter-model uncertainty of its future projections, and evaluating its global impact, motivating future work guided by some directions proposed in this review.

Song, Fengfei (ORCID:0000000230041749)↗

2% Yield Increase (HH2), All Energy Crops scenario of the 2016 Billion Ton Report

Scientific reason for data generation: to serve as an alternate high-yield scenario for the BT16 volume 1 agricultural scenarios to compare these projections of potential biomass supplies against a reference case (agricultural baseline 10.11578/1337885). The simulation runs from 2015 through 2040; a starting year of 2014 is used but not reported. Date the data set was last modified: 02/02/2016 How each parameter was produced (methods), format, and relationship to other data in the data set: This exogenous price simulations (also referred to as “specified-price” simulations) introduces a farmgate price, and POLYSYS solves for biomass supplies that may be brought to market in response to these prices. In specified-price scenarios, a specified farmgate price is offered constantly in all counties over all years of the simulation. This simulation begins in 2015 with an offered farmgate price for primary crop residues only between 2015 and 2018 and long-term contracts for dedicated crops beginning in 2019. Expected mature energy crop yield grows at a compounding rate of 2% beginning in 2016. The yield growth assumptions are fixed after crops are planted such that yield gains do not apply to crops already planted, but new plantings do take advantage of the gains in expected yield growth. Instruments used: Policy Analysis System –POLYSYS (version POLYS2015_V10_alt_JAN22B), an agricultural policy modeling system of U.S. agriculture (crops and livestock), supplied by the University of Tennessee Institute of Agriculture, Agricultural Policy Analysis Center.

09 BIOMASS FUELS↗

3% Yield Increase (HH3), All Energy Crops scenario of the 2016 Billion Ton Report

Scientific reason for data generation: to serve as an alternate high-yield scenario for the BT16 volume 1 agricultural scenarios to compare these projections of potential biomass supplies against a reference case (agricultural baseline 10.11578/1337885). The simulation runs from 2015 through 2040; a starting year of 2014 is used but not reported. Date the data set was last modified: 02/02/2016 How each parameter was produced (methods), format, and relationship to other data in the data set: This exogenous price simulations (also referred to as “specified-price” simulations) introduces a farmgate price, and POLYSYS solves for biomass supplies that may be brought to market in response to these prices. In specified-price scenarios, a specified farmgate price is offered constantly in all counties over all years of the simulation. This simulation begins in 2015 with an offered farmgate price for primary crop residues only between 2015 and 2018 and long-term contracts for dedicated crops beginning in 2019. Expected mature energy crop yield grows at a compounding rate of 3% beginning in 2016. The yield growth assumptions are fixed after crops are planted such that yield gains do not apply to crops already planted, but new plantings do take advantage of the gains in expected yield growth. Instruments used: Policy Analysis System –POLYSYS (version POLYS2015_V10_alt_JAN22B), an agricultural policy modeling system of U.S. agriculture (crops and livestock), supplied by the University of Tennessee Institute of Agriculture, Agricultural Policy Analysis Center.

09 BIOMASS FUELS↗

Advanced Drying Cycle Simulator Thermal Response to Commercial Drying Conditions

The purpose of this report is to document updates on testing of the apparatus built to simulate commercial drying procedures for spent nuclear fuel at the Nuclear Energy Work Complex at Sandia National Laboratories. Validation of the extent of water removal in a dry spent nuclear fuel storage system based on drying procedures used at nuclear power plants is needed to close existing technical gaps. Operational conditions leading to incomplete drying may have potential impacts on the fuel, cladding, and other components in the system during subsequent storage and disposal. A general lack of data suitable for model validation of commercial nuclear canister drying processes necessitates well-designed investigations of drying process efficacy and water retention that incorporate relevant physics and well-controlled boundary conditions. This report documents testing updates for the Advanced Drying Cycle Simulator (ADCS). This apparatus was built to simulate commercial drying procedures and quantify the amount of residual water remaining in a pressurized water reactor (PWR) fuel assembly after drying. The ADCS was constructed with a prototypic 17×17 PWR fuel skeleton and waterproof heater rods to simulate decay heat. These waterproof heaters are the next generation design to heater rods developed and tested at Sandia National Laboratories in FY20. This report describes preliminary testing of the ADCS through measurement and analysis of the thermal response of the system to a subset of commercial drying conditions that exclude the introduction of water, namely simulated decay heats and pressures relevant to commercial drying. This test series, referred to as a “dry” test series in this report, spans three uniform waterproof heater rod powers (representing spent fuel decay heats), four helium fill pressures, and six vacuum levels. This test series was conducted to cover the range of expected ADCS testing conditions for upcoming “wet” testing, where water will be introduced and a simulated commercial drying cycle will be performed. The dry test conditions were derived from the commercial drying conditions seen in the High Burnup Demonstration and the vacuum drying conditions chosen for a smaller scale Dashpot Drying Apparatus tested at Sandia National Laboratories in FY22. For a given uniform power and pressure/vacuum level, the ADCS was operated at constant power and pressure and allowed to reach steady state conditions. The thermal data obtained from these tests were analyzed, and the results can inform computational models built to simulate commercial drying processes by providing baseline thermal data prior to the introduction of water. Following the preliminary dry tests, a test plan for the ADCS will be developed to implement a drying procedure that begins with the introduction of water to the system and is based on measurements from the drying process used for the High Burnup Demonstration Project. While applying power to the simulated fuel rods, this procedure is expected to consist of filling the ADCS vessel with water, draining the water with applied pressure and multiple helium blowdowns, evacuating additional water with a vacuum drying sequence at successively lower pressures, and backfilling the vessel with helium. Additional investigations are expected to feature failed fuel rod simulators with engineered cladding defects and guide tubes with obstructed dashpots to challenge the drying system with multiple water retention sites. The data from these investigations is expected to inform the efficacy of commercial drying operations through the quantification of residual water in a prototypic-length dry storage canister.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Initial CEED API (CEED-MS10)

Key components of CEED software development involve fast finite element operator storage and evaluation, architecture optimizations, performant algorithms for all orders, global kernels for finite element operators, efficient use of the memory sub-system, optimal data locality and motion, enhanced scalability and parallelism, and fast tensor contractions. As ultimate goals of the project, CEED is exploring and identifying the best algorithms for the full range of discretizations and applying algorithmic and software development to support ECP applications’ needs. In this milestone, we initiated the development and implementation of a common CEED API consisting of two main components: low-level and high-level APIs. We accomplished the goal of having the low-level component ready for the release of CEED v1.0 in the next quarter, see CEED-MS13. In this report we also provide a highlight from CEED’s integration with the MARBL app and the corresponding Laghos miniapp. A main theme in this work has been the systematic transition of advanced algorithms, developed and tested in Laghos, to the large-scale multi-physics settings of the MARBL code. The low-level CEED API provides a set of FE kernels and components for writing new low-level kernels. Examples include: vector and sparse linear algebra, element matrix assembly over a batch of elements, partial assembly and action for efficient high-order operators like mass, diffusion, advection, etc. The main goal of the low-level API is to establish the basis for the high-level API. Also, identifying such low-level kernels and providing a reference implementation for them serves as the basis for collaboration with vendors and STs. Another goal for the low-level API is to make it easy for applications with their own discretization infrastructure, who do not want to switch directly to using the high-level CEED API, to still evaluate and use the core operations provided by the low-level API. One of the challenges with high-order methods is that a global sparse matrix is no longer a good representation of a high-order linear operator, both with respect to the FLOPs needed for its evaluation, as well as the memory transfer needed for a matvec. Thus, another important question we tried to address while developing the low-level API is: is it possible to abstract out in a natural and efficient way the different implementations and data structures that arise when dealing with various computational device types: CPUs, GPUs, etc. Fully answering this question is beyond the scope of this particular milestone, since that requires longer time as we develop and expand the devices we support. The future high-level API will be the frontend provided by CEED consisting of high-level abstractions such as meshes, finite element spaces and solutions, bilinear forms, solvers, etc. At this high-level, an important aspect of the API will be to provide a uniform abstraction layer for writing code in a portable manner. To achieve that, we plan to utilize the MPI programming model combined with a device abstraction layer (DAL) for finite element computations that we will develop. The DAL will serve as the bridge between the low- and the high-level APIs, allowing a variety of programming models to be used for the low-level kernel implementations. The software artifacts delivered as part of this milestone include an initial CEED API software implementation (libCEED) provided through the CEED website, http://ceed.exascaleproject.org and the CEED GitHub organization, http://github.com/ceed. In addition to details and results from the above R&D efforts, in this document we are also reporting on other project-wide activities performed in Q1 of FY18, including: the Nek5000 v17.0 MFEM v3.3.2 and PETSc v3.8 releases, collaborations with ECP/ST and SciDAC projects, the inaugural Nek5000 hackathon and various outreach activities.

97 MATHEMATICS AND COMPUTING↗

DESI mock challenge: Halo and galaxy catalogues with the bias assignment method

We present a novel approach to the construction of mock galaxy catalogues for large-scale structure analysis based on the distribution of dark matter halos obtained with effective bias models at the field level. We aim to produce mock galaxy catalogues capable of generating accurate covariance matrices for a number of cosmological probes that are expected to be measured in current and forthcoming galaxy redshift surveys (e.g. two- and three-point statistics). The construction of the catalogues shown in this paper is part of a mock-comparison project within the Dark Energy Spectroscopic Instrument (DESI) collaboration. We use the bias assignment method ( BAM ) to model the statistics of halo distribution through a learning algorithm using a few detailed N-body simulations, and approximated gravity solvers based on Lagrangian perturbation theory. We introduce cosmic-web-dependent corrections to modelling redshift-space distortions at the N-body level – both in the halo and galaxy distributions –, as well as a multi-scale approach for accurate assignment of halo properties. Using specific models of halo occupation distributions to populate halos, we generate galaxy mocks with the expected number density and central-satellite fraction of emission-line galaxies, which are a key target of the DESI experiment. BAM generates mock catalogues with per cent accuracy in a number of summary statistics, such as the abundance, the two- and three-point statistics of halo distributions, both in real and redshift space. In particular, the mock galaxy catalogues display ~3%-10% accuracy in the multipoles of the power spectrum up to scales of k ~ 0.4 h -1 Mpc. We show that covariance matrices of two- and three-point statistics obtained with BAM display a similar structure to the reference simulation. BAM offers an efficient way to produce mock halo catalogues with accurate two- and three-point statistics and is able to generate a variety of multi-tracer catalogues with precise covariance matrices of several cosmological probes. We discuss future developments of the algorithm towards mock production in DESI and other galaxy-redshift surveys.

79 ASTRONOMY AND ASTROPHYSICS↗

San Francisco Biofuel Program: Brown Grease to Biodiesel Demonstration (Project Report)

Municipal wastewater treatment facilities have typically been limited to the role of accepting wastewater, treating it to required levels, and disposing of its treatment residuals. However, a new view is emerging which includes wastewater treatment facilities as regional resource recovery centers. This view is a direct result of increasingly stringent regulations, concerns over energy use, carbon footprint, and worldwide depletion of fossil fuel resources. Resources in wastewater include chemical and thermal energy, as well as nutrients, and water. A waste stream such as residual grease, which concentrates in the drainage from restaurants (referred to as Trap Waste), is a good example of a resource with an energy content that can be recovered for beneficial reuse. If left in wastewater, grease accumulates inside of the wastewater collection system and can lead to increased corrosion and pipe blockages that can cause wastewater overflows. Also, grease in wastewater that arrives at the treatment facility can impair the operation of preliminary treatment equipment and is only partly removed in the primary treatment process. In addition, residual grease increases the demand in treatment materials such as oxygen in the secondary treatment process. When disposed of in landfills, grease is likely to undergo anaerobic decay prior to landfill capping, resulting in the atmospheric release of methane, a greenhouse gas (GHG). This research project was therefore conceptualized and implemented by the San Francisco Public Utilities Commission (SFPUC) to test the feasibility of energy recovery from Trap Waste in the form of Biodiesel or Methane gas. The research goals are given below: To validate technology performance; To determine the costs and benefits [including economic, socioeconomic, and GHG emissions reduction] associated with co-locating this type of operation at a municipal wastewater treatment plant (WWTP); To develop a business case or model for replication of the program by other municipal agencies (as applicable). In order to accomplish the goals of the project, the following steps were performed: 1. Operation of a demonstration facility designed to receive 10,000 to 12,000 gallons of raw Trap Waste each day from private Trap Waste hauling companies. The demonstration facility was designed and built by Pacific Biodiesel Technologies (PBTech). The demonstration facility would also recover 300 gallons of Brown Grease per day from the raw Trap Waste. The recovered Brown Grease was expected to contain no more than 2% Moisture, Insolubles, and Unsaponifiables (MIU) combined. 2. Co-digestion of the side streams (generated during the recovery of 300 gallons of Brown Grease from the raw Trap Waste) with wastewater sludge in the WWTP's anaerobic digesters. The effects of the side streams on anaerobic digestion were quantified by comparison with baseline data. 3. Production of 240 gallons per day of ASTM D6751-S15 grade Biodiesel fuel via a Biodiesel conversion demonstration facility, with the use of recovered Brown Grease as a feedstock. The demonstration facility was designed and built by Blackgold Biofuels (BGB). Side streams from this process were also co-digested with wastewater sludge. Bench-scale anaerobic digestion testing was conducted on side streams from both demonstration facilities to determine potential toxicity and/or changes in biogas production in the WWTP anaerobic digester. While there is a lot of theoretical data available on the lab-scale production of Biodiesel from grease Trap Waste, this full-scale demonstration project was one of the first of its kind in the United States. The project's environmental impacts were expected to include: Reduction of greenhouse gas emissions by prevention of the release of methane at landfills. Although the combustion product of Biodiesel and Methane gas produced in the Anaerobic digester, Carbon Dioxide, is also a greenhouse gas; it is 20 times weaker for the same amount (per mole) released, making its discharge preferable to that of Methane. The use of Biodiesel in place of fossil-fuel derived Diesel was expected to reduce net Carbon Dioxide, Ash Particulate, Sulfate, Silicate, and Soot emissions, thereby improving air quality.

09 BIOMASS FUELS↗

Sensing and arresting metal corrosion in molten chloride salts at 800 degrees Celsius

Originally this was planned as a 5 task, 3 year project, starting in May 2019. Task 1 Detecting oxidants and metal corrosion in molten chloride salt at 800°C. Task 2 Effectiveness of Zr getter using head gas sensors of inlet and outlet gases. Task 3 Cathodic protection of metal in molten salt at reducing potential. Task 4 Find reduction potential of metals in molten chloride salts & quantum modeling. Task 5 Develop corrosion test sections integrated into molten salt flow loop. After Q4, the project was scaled back and the reorganized SOPO was reduced to 3 tasks to be completed at the end of Q7 on 01/05/2021. The 3 SOPO tasks are: Task 1 Sense oxidants and the metal corrosion in molten Na-K-Mg-Cl salt at 800°C. Task 3 Cathodically protect H230 alloy in molten Na-K-Mg-Cl salt at 800C by making H230 alloy the cathode of a power supply with a chromium-rich-metal as the anode. Task 4 Find the reduction potential of Cr metal in molten Na-K-Mg-Cl salt at 800°C. The total timeline was reduced from 12 to 7 quarters with the end date being, January 5, 2021. This amounted to task 1,3 and 4 being done in Q5,6 and 7 of an extended year 1, ending on January 5, 2021. Task 1, 3 and 4 were completed. For task1) the increase of oxidants in molten salt is detected by two things: i) a positive shift of the electrode potential for a Haynes 230 alloy (H230) metal coupon versus a silver/silver-chloride reference electrode (SSE) and ii) an increase in the corrosion rate of a H230 electrode at 800C. For task 3) applying a cathodic potential (negative overpotential) to a H230 electrode versus SSE arrested the corrosion of the cathodically protected H230 compared to an unprotected “spectator H230 electrode” in the same molten chloride salt. Lastly, for task 4) the reduction potential of chrome and chrome rich, and nickel metal electrodes were measured. The most valuable outcome of this work is that a power supply can arrest metal corrosion for metal in molten chloride salt when the power supply applies a cathodic potential to bare metal, like H230, in molten chloride salts, like ternary Mg-K-Na-chloride salt. H230 is a high strength metal for containing molten chloride salt and ternary Mg-K-Na-chloride salt is used as heat transfer fluids in concentrating solar power plants. When to use cathodic protection for protecting metal in molten chloride salts? Two scenarios are envisioned: 1) for protecting high-valued components, like solar collectors and heat exchangers and 2) for protecting the bare surface in holidays (point defects) of corrosion inhibitors that are to intended to cover the entire surface of metal.

14 SOLAR ENERGY↗

Development of Analysis Methods that Integrate Numeric and Textual Equipment Reliability Data

Within the Light Water Reactor Sustainability (LWRS) program, the Risk-Informed Systems Analysis (RISA) Pathway is performing collaborative research on the development and deployment of technologies designed to assist operating nuclear power plants (NPPs) to reduce operating costs improve plant reliability and availability. One of the RISA research areas is focusing on the development of methods and tools designed to optimize plant operations (e.g., maintenance/replacement schedules, optimal maintenance postures for plant structures, systems, and components [SSCs]) in a manner that is more cost effective than current approaches and makes better use of available SSC health data. The Risk-Informed Asset Management (RIAM) project targets this research area by creating a direct bridge between component equipment reliability (ER) data and system engineer decision making regarding maintenance activity scheduling and component aging management. In this respect, one challenge that NPP system engineers are facing is that the amount of ER data being continuously generated is not only extremely large in size, but it comes in different forms: textual (e.g., condition or maintenance reports) and numeric (e.g., generated by monitoring systems). All these data elements provide them with valuable insights and information regarding: 1) the discovery of anomalous behaviors or degradation trends, 2) the identification of the possible causes behind such behaviors/trends, and 3) the prediction of their direct consequences. However, several challenges have proved to be roadblocks to this process. While some of these challenges are technical in nature (i.e., data are often distributed over several physical servers/databases), others are conceptual in nature: data elements come in different formats (e.g., numeric or textual), and measured values have different scales (e.g., vibration spectra and oil temperature). The activities performed by the RIAM project during FY23 directly tackles the need to simultaneously integrate the analysis of ER data in all its forms, numeric and textual. Note that such task has never been performed before due to the complexity of the systems under consideration but, most importantly, because of the technical challenges behind the harmonization of ER data formats and the lack of adequate computational methods to analyze them. Our approach borrows ideas and concepts from the medical field where integration of several data sources is vital to assist medical practitioners to perform correct diagnosis and indicate optimal treatments. In our view a NPP asset is equivalent to a patient in a medical context. The main difference is the complexity of a human body is a magnitude more complex when compared to typical assets commonly present in NPPs (e.g., centrifugal pumps, or motor operated valves). This simplifies our first requirement when analyzing heterogenous ER data formats: to put data into “context”. Context is here intended as the additional piece of information that is needed by ER data analysis tools to understand what these data elements are referring to, i.e., which king of knowledge they are generating. In our context, this knowledge can be translated into models that capture the form and functional architecture of assets/systems, their dependencies, and how they interact. These models actually emulate the knowledge that that NPP system engineers possess about assets and systems; this is their key of success when analyzing ER data, their challenge is ability to handle large amount of data. Here, we employ model-based system engineering (MBSE) models of systems and assets to represent and capture their architecture and functional, i.e. cause-effect, relations. Then, ER data elements are processed by identifying first of all which elements of the developed MBSE elements they are referring to. For numeric ER data this task is fairly easy since it is possible to precisely pinpoint what MBSE elements the corresponding sensor are observing (e.g., bearing temperature of a centrifugal pump). Task is much harder for textual data since the information contained in issue or maintenance reports needs to “be understood” by a computational tool. Here we called this process as “knowledge extraction”. Once again, we borrow the experience in the medical field where methods to extract knowledge from textual data have been developed in the past decade. The missing element for us is the availability of a complete dictionary of NPP related concepts (in addition to the MBSE models presented earlier) that can put “text into context”. In FY23, such dictionary has been developed along with all the computational elements required for knowledge extraction. Lastly, once numeric and textual ER data elements have been processed and “understood”, then the last step is the discovery of possible cause-effect relations among them. This is performed by observing if a logical connection through the MBSE models exists, and if the

97 MATHEMATICS AND COMPUTING↗

High Performance Teams Enable Mission Success for SRNL - 16363

The accomplishment of the DOE EM mission of cleaning up the radioactive waste generated as a byproduct of the development and maintenance of nuclear materials over the last 60 years is a daunting task. SRNL specializes in working directly with the 'owners' of the cleanup challenges to identify the desired outcome and develop a solution that can be put into practice. 'We put science to work' is not just a 'tag line' rather it is a concise statement of our values and approach to applying science and engineering to the cleanup objectives. The management of radioactive waste poses multi-decade challenges to DOE EM and the Nation. The ability to harness the depth of knowledge, experience, expertise and passion for safely and effectively solving the technical challenges has reached a critical junction. Perhaps too late to be a natural and organic transition the industry finds itself critically devoid of resources to effectively and efficiently keep focused on the highest order task: cleanup. When project managers plan the resources necessary to perform the planned scope they typically are focused on financial, human, and industrial resources that would be beneficial to project execution. The critical shortage we will be evaluating is experienced and skilled leaders, mentors and coaches in the workforce. The production of educated scientists and engineers is a primary focus at all levels of educational institutions with Science Technology Engineering and Mathematics (STEM) focused curricula beginning in elementary school. The need for leaders who are skilled in inspiring organizational creativity, adept in harnessing and focusing individual energy while effectively communicating to the work force and the clientele equally compelling messages, has never been greater, or their absence in the workforce more ominous. Managers trained in the classical management theory (insert references here) are aging out of the workforce. In many cases these managers have not retained close connection to advancements in their primary field of study but rather have succumbed to the administrivia burdens that typify highly regulated work. The current technically trained workforce while interested in the 'perks' of management (i.e. visibility, pay increases, advancing status) are driven to keep close connection to their technical 'roots' as a fall-back plan should they need to change their career path either by choice or necessity. The challenge is how to achieve the productive hum of a finely tuned organizational model that blends executive vision and drive with technical leadership and excellence in execution. If any of these three tenets of a high performance team falters the ability to recover erodes the performance of the team and begins to weaken the cultural foundation essential to sustaining high performance work teams. At SRNL, recognition of the need to adapt the management dynamics and the business model and to harness the energy of the workforce to sustain - and in fact increase - the level of performance is a driving force in the transformation of the organization. Examples of changes in organizations structure, business systems and employee engagement are discussed as they relate to the impact on accomplishing the cleanup mission and fostering the next generation of great leaders and innovators. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗