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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 433 records · Page 24

One-shot holography

Following the work of [J. High Energy Phys. 04, 062 (2021)], we define a generally covariant max-entanglement wedge of a boundary region B, which we conjecture to be the bulk region reconstructible from B. We similarly define a covariant min-entanglement wedge, which we conjecture to be the bulk region that can influence the state on B. We prove that the min- and max-entanglement wedges obey various properties necessary for this conjecture, such as nesting, inclusion of the causal wedge, and a reduction to the usual quantum extremal surface prescription in the appropriate special cases. These proofs rely on one-shot versions of the (restricted) quantum focusing conjecture (QFC) that we conjecture to hold. We argue that these QFCs imply a one-shot generalized second law (GSL) and quantum Bousso bound. Moreover, in a particular semiclassical limit we prove this one-shot GSL directly using algebraic techniques. Finally, in order to derive our results, we extend both the frameworks of one-shot quantum Shannon theory and state-specific reconstruction to finite-dimensional von Neumann algebras, allowing nontrivial centers.

Akers, Chris (ORCID:0000000227929827)↗

Hydrogen Transport in a Model 9979 Shipping Package with Inner Convenience Cans

Radiolytic hydrogen production and accumulation inside containment packages is a concern at any facility responsible for their packaging, storage, transportation, and/or disposal. When hydrogen gas accumulates to concentrations above the Lower Flammability Limit (LFL) which is 4% or 40,000 ppm in air, the possibility of a deflagration or explosion increases. This concern persists over the course of the package lifetime which is unlimited when disposed of by burial or in permanent repositories. Here, we report on a numerical model used to predict the concentration of hydrogen within each layer of a Model 9979 package containing a convenience can assembly. Simulations show the hydrogen concentration to always be highest in the inner convenience can containing the radioactive source. When the radioactive source is within the Los Alamos National Laboratory (LANL) Packaging Limits, the hydrogen concentration is shown to remain well below the LFL at all times including packaging, storage, transportation, and disposal. A hydrogen transport model is presented for a Model 9979 package system containing a nested arrangement of convenience cans, which are tin oxide coated steel cans of various sizes with a slip-lid assembly. The inner convenience can contains the radioactive source material along with an unknown quantity of incidental water acquired from humid air or processing. While visible organic materials such as paper and plastics were purposely excluded from the inner can, it is not possible to claim the wastes are entirely organic free. The inner convenience can is tape sealed and placed into a plastic bag which is horsetail closed (i.e., twisted and taped). The bagged can is placed into an outer convenience can that is also tape sealed. The can assembly is then placed into the 30 gallon drum and subsequently placed inside the 55 gallon drum in the 9979 package. Here we assume hydrogen gas is produced in the inner convenience can from alpha radiolysis of water at a rate dependent on the quantity of uranium isotopes and water present. The hydrogen transport model was used to calculate hydrogen accumulations within the package’s five layers at different times and conditions. These simulations serve two purposes; (i) to build confidence in the model by comparing predicted values to measured values, and (ii) to check the steady state hydrogen concentrations that are approached at long times in the package’s lifetime. Model simulations were compared to gas samples taken from the 30 gallon drum after storage at LANL’s Chemistry and Metallurgy Research (CMR) building for around 500 days. Hydrogen concentration calculations over much longer periods (i.e., more than 270 years) included extreme storage durations, transportation at extreme cold temperatures, and disposal of packages assuming different average temperatures.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Weighted greedy-optimal design of computer experiments for kernel-based and Gaussian process model emulation and calibration

This article is concerned with the approximation of high-dimensional functions by kernel-based methods. Motivated by uncertainty quantification, which often necessitates the construction of approximations that are accurate with respect to a probability density function of random variables, we aim at minimizing the approximation error with respect to a weighted $L^p$-norm. We present a greedy procedure for designing computer experiments based upon a weighted modification of the pivoted Cholesky factorization. The method successively generates nested samples with the goal of minimizing error in regions of high probability. Numerical experiments validate that this new importance sampling strategy is superior to other sampling approaches, especially when used with non-product probability density functions. We also show how to use the proposed algorithm to efficiently generate surrogates for inferring unknown model parameters from data.

97 MATHEMATICS AND COMPUTING↗

A User’s Guide to the PLTEMP/ANL Code

PLTEMP/ANL V4.3 is a program that obtains a steady-state flow and temperature solution for a nuclear reactor core, or for a single fuel assembly. It is based on an evolutionary sequence of codes originally used for plate temperatures, hence “PLTEMP”, developed at Argonne National Laboratory over several decades. Fueled and non-fueled regions are modeled. Each fuel assembly consists of one or more plates or tubes separated by coolant channels. The fuel plates may have one to five layers of different materials, each with heat generation. The width of a fuel plate may be divided into multiple longitudinal stripes, each with its own axial power shape. Depending upon the heat transfer method selected, the temperature solution is effectively 2-dimensional or 3-dimensional (Appendix XV). It begins with a solution across all coolant channels and fuel plates or tubes within a given fuel assembly, at the entrance to the assembly. The temperature solution is repeated for each axial node along the length of the fuel assembly. The geometry may be either slab or radial, corresponding to fuel assemblies made of a series of flat (or slightly curved) plates, or of nested tubes. A variety of thermal-hydraulic correlations are available to determine safety margins such as onset-of-nucleate boiling ratio(ONBR), departure from nucleate boiling ratio (DNBR), and onset of flow instability ratio (OFIR). Coolant properties for either light or heavy water are obtained from FORTRAN functions rather than from tables. The code is intended for thermal-hydraulic analysis of research reactor performance in the sub-cooled boiling regime. Both turbulent and laminar flow regimes can be modeled. Options to calculate both forced flow and natural circulation are available. A general search capability is available (Appendix XII) to greatly reduce the reactor analyst’s time.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Evaluation of the Performance of the SAVY Container Subjected to Various Impact Events using Finite Element Methods

The SAVY container is a Safety Class Design Feature utilized both inside engineered features and outside engineered features (e.g. gloveboxes) at TA-55 Plutonium Facility Building 4. These containers were certified as low damage ratio containers by demonstrating their ability to retain material after exposure to impacts and elevated temperatures resulting from a design basis seismic event. Original testing of the SAVY did not evaluate the effects of various facility specific insults to the SAVY while within a DOT Type A Container, caused either by design basis accident or an operational mishap. These insults include: 1. Impact of a structural I-beam (drum upright & drum on side); 2. Impact of a section of Positive Pressure Chilled Water Pipe (PPCWS); 3. Forklift fork tine impact; 4. Fuel truck impact. Abaqus Explicit Dynamics Finite Element Analysis was performed on a nested SAVY/DOT Type 7A container configuration to assess the structural integrity of the SAVY under the accident conditions listed.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

A Multistage Stochastic Transmission Expansion Algorithm for Wide-Area Planning under Uncertainty

The overall objective for this project was to develop and demonstrate a set of methods for solving the transmission investment problem for a large network considering many possible scenarios of future conditions and multiple decision points when investments can be made. Project sub-objectives achieved this goal through a succession of extending the methods to apply to problems with increasing complexity or additional features, including the number of decision points, whether generation and transmission are co-optimized, and whether AC or DC power flow is used. A transmission model was developed for the Western Electric Coordinating Council (WECC) region, the high-voltage transmission system that serves the western third of the continental U.S. Using a dataset provided by WECC and by researchers from John Hopkins University, we have validated and demonstrated the model and used it to compare the new method for solving multi-stage stochastic transmission planning to several state-of-the-art techniques. The project has resulted in several key outcomes and achievements: The covariance-based method for choosing a small set of hours to represent short-term variability has superior performance in terms of accuracy to existing methods, including K-means clustering and Importance Sampling; The combined partitioning method for long-term uncertainty with the nested clustering approach for choosing representative hours for each long-term group has superior accuracy for equivalent computational effort compared with existing methods; Using the partitioning/clustering method combined with Sample Average Approximation provides both statistical bounds on the quality of the solution and at the same time, a complete investment plan for all contingencies in the full uncertainty set; no existing methods can provide both at the same time; The method is demonstrated to work well for choosing both transmission and generation investments; A variant on the method allows for both scenario selection and simultaneous correction for the error from the DC power flow approximation to provide a tractable method for AC power flow-based transmission planning under uncertainty; The method applied to the WECC case study demonstrates the additional value to the system operator and the consumer of identifying flexible investment options in the near-term decisions. In particular, the case study exhibits significant option value in postponing some transmission additions that appear useful but in some long-term system states create new congestion problems.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Plutonium workers get a new level of education in the actinide mission

The Associate Laboratory Directorate for Weapons Production (ALDWP) and the National Security Education Center (NSEC) have teamed to develop a new Nuclear Enterprise Science and Technology (NEST) Academic Certificate program offered through the University of New Mexico – Los Alamos (UNM-LA). The pilot program, which virtually kicked off on January 19 even amidst snow closures, received accreditation by the State Higher Education Department (HED) in FY20 and is designed for LANL’s existing fissile material handler technician and technologist employee workforce. It will provide essential science, operations, and business education on all aspects of working in modern nuclear materials handling and processing facilities. The first course for the certificate program is called “Nuclear Facility Fundamentals.” A call for nominations went out to the directorate and a cohort of 15 individuals has been established to start the program.

61 RADIATION PROTECTION AND DOSIMETRY↗

Trustworthy AI for Extreme Event Prediction and Understanding

Our transformational science question is: can we revolutionize both the prediction and understanding of extreme events through trustworthy AI? Our use-cases include extreme weather such as tornadoes and hail as well as water-based events including extreme precipitation, compound flooding, harmful algal blooms, and sea turtle cold stunnings and nest inundations.

54 ENVIRONMENTAL SCIENCES↗

Parallel Solver Framework for Mixed-Integer PDE-Constrained Optimization

ROL-PEBBL is a C++, MPI-based parallel code for mixed-integer PDE-constrained optimization (MIPDECO). In these problems we wish to optimize (control, design, etc.) physical systems, which must obey the laws of physics, when some of the decision variables must take integer values. ROL-PEBBL combines a code to efficiently search over integer choices (PEBBL = Parallel Enumeration Branch-and-Bound Library) and a code for efficient nonlinear optimization, including PDE-constrained optimization (ROL = Rapid Optimization Library). In this report, we summarize the design of ROL-PEBBL and initial applications/results. For an artificial source-inversion problem, finding sources of pollution on a grid from sparse samples, ROL-PEBBLs solution for the nest grid gave the best optimization guarantee for any general solver that gives both a solution and a quality guarantee.

97 MATHEMATICS AND COMPUTING↗

A User’s Guide to the PLTEMP/ANL Code (V.4.3)

PLTEMP/ANL V4.3 is a program that obtains a steady-state flow and temperature solution for a nuclear reactor core, or for a single fuel assembly. It is based on an evolutionary sequence of codes originally used for plate temperatures, hence “PLTEMP”, developed at Argonne National Laboratory over several decades. Fueled and non-fueled regions are modeled. Each fuel assembly consists of one or more plates or tubes separated by coolant channels. The fuel plates may have one to five layers of different materials, each with heat generation. The width of a fuel plate may be divided into multiple longitudinal stripes, each with its own axial power shape. Depending upon the heat transfer method selected, the temperature solution is effectively 2-dimensional or 3-dimensional (Appendix XV). It should be noted that for a 3-dimensional solution the axial power shape is modeled without accounting for axial heat conduction. It begins with a solution across all coolant channels and fuel plates or tubes within a given fuel assembly, at the entrance to the assembly. The temperature solution is repeated for each axial node along the length of the fuel assembly. The geometry may be either slab or radial, corresponding to fuel assemblies made of a series of flat (or slightly curved) plates, or of nested tubes. A variety of thermal-hydraulic correlations are available to determine safety margins such as onset-of-nucleate boiling ratio(ONBR), departure from nucleate boiling ratio (DNBR), and onset of flow instability ratio (OFIR). Coolant properties for either light or heavy water are obtained from FORTRAN functions rather than from tables. The code is intended for thermal-hydraulic analysis of research reactor performance in the sub-cooled boiling regime. Both turbulent and laminar flow regimes can be modeled. Options to calculate both forced flow and natural circulation are available. A general search capability is available (Appendix XII) to greatly reduce the reactor analyst’s time.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Valley Elderberry Longhorn Beetle Surveys at the Lawrence Livermore National Laboratory - Site 300

This report describes the results of a visual survey conducted in fall 2020 and spring 2021 to determine the potential presence of the federally listed Threatened Valley elderberry longhorn beetle (VELB; Desmocerus californicus dimorphus) and the quantity and quality of its host plant, blue elderberry (Sambucus nigra ssp. caerulea) on the Lawrence Livermore National Laboratory's (LLNL) Experimental Test Site, known as Site 300. In addition, an area located immediately southeast of Site 300, which is owned and managed by the California Department of Fish and Wildlife (CDFW), but secured by LLNL, was also included in this survey. This report will refer to the survey areas as the LLNL-Site 300 and the CDFW site. The fall 2020 survey included mapping the locations of elderberry plants that were observed using a global positioning system (GPS) to obtain positional coordinates for every elderberry plant at Site 300 and the CDFW site. In addition, observations of VELB emergence holes on elderberry plants were also mapped using GPS. The spring 2021 survey revisited most of the elderberry locations mapped in the fall of 2020 and surveyed for any new emergence holes or presence of VELB. Those locations not revisited were either considered poor VELB habitat (non-riparian) or were located within active Tricolored blackbird (Agelaius tricolor), nesting sites.

54 ENVIRONMENTAL SCIENCES↗

On ParELAG's Parallel Element-based Algebraic Multigrid and its MFEM Miniapps for H(curl) and H(div) Problems: a report including lowest and next to the lowest order numerical results

This paper presents the utilization of element-based algebraic multigrid (AMGe) hierarchies, implemented in the ParELAG (Parallel Element Agglomeration Algebraic Multigrid Upscaling and Solvers) library, to produce multilevel preconditioners and solvers for H(curl) and H(div) formulations. This involves the construction of hierarchies of compatible nested spaces, forming an exact de Rham sequence on each level. This allows the application of hybrid smoothers on all levels and AMS (Auxiliary-space Maxwell Solver) or ADS (Auxiliary-space Divergence Solver) on the coarsest levels, obtaining complete multigrid cycles. Numerical results are presented, showing the parallel performance of the proposed methods. As a part of the exposition, this paper demonstrates some of the capabilities of ParELAG and outlines some of the components and procedures within the library.

97 MATHEMATICS AND COMPUTING↗

Passerine Bird Surveys for the Lawrence Livermore National Laboratory Site 200

Pursuant to Subcontract Number B644180 between ECORP Consulting, Inc. (ECORP) and Lawrence Livermore National Security, LLC. (LLNS) at Lawrence Livermore National Laboratory (LLNL), ECORP conducted passerine bird and waterfowl surveys at LLNL Livermore Site 200 (Site 200) during the spring and summer of 2021. While the point-count surveys were considered passerine and waterfowl surveys, other non-passerine species (e.g. raptors, doves, woodpeckers, hummingbirds) were surveyed for as well. LLNL conducts annual monitoring for nesting raptors at the Livermore Site 200. Because of this, raptors were not included as target species in this scope of work. The purpose of the surveys was to document the presence and abundance of all avian species in support of a Site-wide Environmental Impact Statement. Particular focus of the survey was on special status bird species.

54 ENVIRONMENTAL SCIENCES↗

Concurrent Shape and Topology Optimization

The typical topology optimization workflow uses a design domain that does not change during the optimization process. Consequently, features of the design domain, such as the location of loads and constraints, must be determined in advance and are not optimizable. A method is proposed herein that allows the design domain to be optimized along with the topology. This approach uses topology and shape derivatives to guide nested optimizers to the optimal topology and design domain. The details of the method are discussed, and examples are provided that demonstrate the utility of this approach.

42 ENGINEERING↗

FESS Design Simulations: methods, tools, & issues for the edge/scrape-off-layer region

This topic describes the plasma and neutral particles in the transition boundary region between the hot core plasma and the surrounding material walls. A key geometrical transition that occurs in this region is where the equilibrium magnetic field changes topology from a set of closed, nested magnetic flux surfaces inside the magnetic separatrix to flux surfaces, and therefore magnetic field lines that intersect material walls. Because the plasma exhaust heat flows very rapidly along the field lines, these intersection locations can have heat fluxes much higher than the walls can withstand. The most promising strategy pursued here to avoid this problem is injection of moderate-Z impurities that radiate the exhaust power over a much larger surface area on the walls, thus keeping the peak heat flux at or below the goal of 10 MW/m 2 . Further, the intrusion of injected and wall-sputtered impurities into the core region must be kept below certain limits to prevent degradation of the fusion power generated in the core.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Small Mammal Prey Study for the Mexican Spotted Owl at Two Locations at Los Alamos National Laboratory

In New Mexico, Mexican spotted owls (Strix occidentalis lucida) are typically found in rocky canyons consisting of mixed-conifer forests that have experienced minimal human disturbance. At Los Alamos National Laboratory (LANL), Mexican spotted owls have been found breeding and foraging in habitats consistent with their known biology, but face the impact of human encroachment in the surrounding upland habitat. Little is known about the prey base present within the Laboratory’s vast forests. In anticipation of expanding human development in proximity to known occupied owl habitat, the goal of our study was to evaluate the small mammal prey base available to Mexican spotted owls at the Laboratory and to assess prey availability, diversity and composition. We sampled two study plots within the Laboratory’s forests for small mammals in 2021. Study plots were situated in conifer, deciduous, mixed conifer-deciduous and mixed oak. Our small mammal trapping efforts and SCR modeling revealed site-specific differences in prey base diversity, abundance and density between the unoccupied Pajarito Canyon and nearby occupied Mortandad Canyon site. These results highlight how managing tracts of land for small mammal prey base may overlap with goals set forth by researchers for Mexican spotted owl habitat needs. We recommend further trapping efforts to better understand prey availability in occupied and unoccupied sites at LANL as well as further investigation of prey selection through the dissection of pellets found in the areas surrounding known nesting locations.

54 ENVIRONMENTAL SCIENCES↗

Developing and testing capabilities for simulating cases with heterogeneous land/water surfaces in a novel atmospheric large eddy simulation code

Large eddy simulations (LES) are the primary computational tool used to simulate high Reynolds number three-dimensional turbulent flows. In the context of earth system sciences, particularly atmospheric science, LES are uniquely able to resolve the scales of atmospheric motion that are key for building process-level understanding of boundary layer turbulence, atmosphere-surface interaction, clouds, and cloud-aerosol-chemistry interaction, and are a core limited-area modeling capability. Increasing demands are being placed on LES code bases as growing high performance computing resources allow LES to address a wider range of scientific problems. In addition, LES are emerging as a source of high-quality machine learning training data. These demands necessitate an agile and extensible code base that allows the model to quickly adapt to emergent needs. However, LES have largely relied on legacy Fortran code bases that lack flexibility. A new, Python-based LES capability called Predicting INteractions of Aerosol and Clouds in Large Eddy Simulation (PINACLES) has been developed as part of the Department of Energy’s Earth System Model Development (ESMD) program area’s Enabling Aerosol-cloud interactions at Global convection-permitting scalES (EAGLES) project. PINACLES was developed from the ground up with a philosophy of maximizing scientific throughput, by attempting to optimize for both model throughput and software extensibility. The initial development of PINACLES delivered a state-of-the-art idealized LES capability solving the non-hydrostatic anelastic equations of motion with doubly periodic boundary conditions and idealized homogenous surface boundary conditions. Here we provide a final report on the outcomes of a fiscal year 2021 Seed Laboratory Directed Research Project that extended PINACLES in two key ways. First, PINACLES was coupled to a state-of-the-art land surface model enabling it to simulate spatially inhomogeneous land-atmosphere interactions that are known to control key atmospheric processes. Second, the dynamical core of PINACLES was modified to permit non-periodic boundary conditions. This model enhancement enables simulation of realistic cases with boundary conditions prescribed from atmospheric reanalysis and enables nested simulations conducted on a hierarchy of computational domains with increasing resolution. Together, these extensions to PINACLES make it a formidable modeling capability and expand its potential application to diverse components of DOE’s atmospheric science portfolio.

42 ENGINEERING↗

FY2022 Status Update: A Probabilistic Model for Stress Corrosion Cracking of SNF Dry Storage Canisters

Understanding the potential risk of stress corrosion cracking of spent nuclear fuel dry storage canisters has been identified as a knowledge gap for determining the safety of long-term interim storage of spent nuclear fuel. To address this, the DOE is funding a multi-lab DOE effort to understand the timing, occurrence, and consequences of potential canister SCC. Sandia National Laboratories has developed a probabilistic model for canister penetration by SCC. This model has been continuously updated at SNL since 2014. Model uncertainties are treated using a nested loop structure, where the outer loop accounts for uncertainties due to lack of data and the inner aleatoric loop accounts for uncertainties due to variation in nature. By separating uncertainties into these categories, it is possible to focus future work on reducing the most influential epistemic uncertainties. Several experimental studies have already been performed to improve the modeling approach through expanded process understanding and improved model parameterization. The resulting code is physics-based and intended to inform future work by identifying (1) important modeling assumptions, (2) experimental data needs, and (3) necessary model developments. In this document, several of the sub-models in the probabilistic SCC model have been exercised, and the intermediate results, as the model progresses from one sub-model to the next, are presented. Evaluating the sub-models in this manner provides a better understanding of sub-model outputs and has identified several unintended consequences of model assumptions or parameterizations, requiring updates to the modeling approach. The following updates have been made, and future updates have been identified.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗