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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 901 records · Page 50

Development of Monitoring Techniques for Laser Powder Bed Additive Manufacturing of Metal Structures (Progress Report)

The Transformational Challenge Reactor (TCR) program is leveraging additive manufacturing (AM) technologies to fabricate nuclear grade components to be assembled into a fully functional microreactor core. Compared to traditional manufacturing technologies, additive manufacturing technologies allow (1) observation of the manufacturing process at a much higher resolution in real time using in situ monitoring technologies to capture the sensor signature that scientifically describes each event occurring over time and space, and (2) validation of the manufacturing process quality using domain-informed data analytics techniques as a potential qualification and certification methodology for the final component. This report provides an update on the program work on laser powder bed fusion in-situ process monitoring and associated data analytics results. Examples are provided to illustrate the progress. Elements of the Digital Thread and data management are discussed in the main document, and an extensive supplemental material section is provided detailing the Digital Platform, as well as its implementation and components. In conclusion the path forward for the next fiscal year is discussed.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Report on Progress of correlation of in-situ and ex-situ data and the use of artificial intelligence to predict defects

The Transformational Challenge Reactor (TCR) program is leveraging additive manufacturing (AM) technologies to fabricate nuclear components which will be assembled into a fully functional microreactor core. Compared with traditional manufacturing technologies, AM technologies allow (1) real-time observation of the manufacturing process at a much higher resolution using in-situ monitoring technologies to capture the sensor signatures that scientifically describe each event occurring over time and space and (2) validation of the manufacturing process quality using domain-informed data analytics techniques as a potential qualification and certification methodology for the final component. This report provides an update on the program work on in-situ and ex-situ data correlation and associated data analytics results. Examples are provided to illustrate progress with respect to laser powder bed fusion (L-PBF), binder jetting, computed tomography (CT) reconstruction, and mechanical testing. Elements of the Digital Thread and data management infrastructure are discussed in the main document, and an extensive supplemental appendix is provided detailing the Digital Platform, as well as its implementation and subcomponents. In conclusion, the path forward for the next fiscal year is also discussed.

42 ENGINEERING↗

Limited Characterization of Wind Turbine Adhesives [EPIKOTE Resin MGS BPR 135G3/EPIKURE Curing Agent MGS RIMH 134 (H134i) and MGS BP20/EPIKURE Curing Agent MGS BPH 20 (rework adhesive)] and Root Insert Exterior Surface.

The National Rotor Testbed (NRT) is a wind turbine blade research program in the Sandia National Laboratories (SNL) Wind Department that has developed a new blade design. Each blade includes bonded-in, threaded metal root inserts that enable the blades to be bolted onto the wind turbine hub. Prior to installing the flight blades on the turbine, root insert strength verification tests exhibited a subset of failures below the design load on one (NRT-02) of four blades. As part of a root cause analysis for the failures, this work analyzes "scraps" of the epoxy adhesive used to bond the metal inserts into the blade and uses surface topography and x-ray fluorescence (XRF) measurements to characterize the exterior surface of the root insert. Samples were taken from inserts that exhibited both high and low loads at failure, as well as some "control inserts" to monitor the state of the surface throughout the manufacturing process. Differences in the calorimetric response of the adhesive from the separate root inserts are apparent but none of them appear to relate to the pull load required to dislodge the inserts. Two takeaways of note include: In the way that the adhesive is processed, it does not reach full cure; and, Something occurred to sample#10 such that the fully-cured adhesive has a significantly lower T g .

17 WIND ENERGY↗

FROSch Preconditioners for Land Ice Simulations of Greenland and Antarctica

Numerical simulations of Greenland and Antarctic ice sheets involve the solution of large-scale highly nonlinear systems of equations on complex shallow geometries. This work is concerned with the construction of Schwarz preconditioners for the solution of the associated tangent problems, which are challenging for solvers mainly because of the strong anisotropy of the meshes and wildly changing boundary conditions that can lead to poorly constrained problems on large portions of the domain. Here, two-level GDSW (Generalized Dryja–Smith–Widlund) type Schwarz preconditioners are applied to different land ice problems, i.e., a velocity problem, a temperature problem, as well as the coupling of the former two problems. We employ the MPI-parallel implementation of multi-level Schwarz preconditioners provided by the package FROSch (Fast and Robust Schwarz)from the Trilinos library. The strength of the proposed preconditioner is that it yields out-of-the-box scalable and robust preconditioners for the single physics problems. To our knowledge, this is the first time two-level Schwarz preconditioners are applied to the ice sheet problem and a scalable preconditioner has been used for the coupled problem. The pre-conditioner for the coupled problem differs from previous monolithic GDSW preconditioners in the sense that decoupled extension operators are used to compute the values in the interior of the sub-domains. Several approaches for improving the performance, such as reuse strategies and shared memory OpenMP parallelization, are explored as well. In our numerical study we target both uniform meshes of varying resolution for the Antarctic ice sheet as well as non uniform meshes for the Greenland ice sheet are considered. We present several weak and strong scaling studies confirming the robustness of the approach and the parallel scalability of the FROSch implementation. Among the highlights of the numerical results are a weak scaling study for up to 32 K processor cores (8 K MPI-ranks and 4 OpenMP threads) and 566 M degrees of freedom for the velocity problem as well as a strong scaling study for up to 4 K processor cores (and MPI-ranks) and 68 M degrees of freedom for the coupled problem.

58 GEOSCIENCES↗

Data-driven Alignment of the Tracker for the Mu2e Experiment

An alignment of the Mu2e Tracker is investigated using the Mu2e Offline Software and Millepede-II. Simulated misalignments of Tracker planes were inserted between Monte-Carlo event generation and before reconstruction using randomly generated $(x,y,z)$-translations and rotations of the rigid-body planes in the detector model. Cosmic ray muons, with no magnetic field present in the Detector Solenoid, will follow a straight-line trajectory. A maximum-likelihood fit is used to reconstruct a track and determine its parameters. Tracks traversing at least four planes, with ten registered straw hits, and a maximum time residual of $20$ ns are selected to be used in an alignment sample. The cuts were chosen to discard tracks with low information content, such as those with high levels of multiple scattering or those with low numbers of measurements contributing to a single track fit. Millepede-II produces the resulting alignment constants according to a simultaneous least-squares fit of the alignment parameters and the track parameters for all input tracks. The improved alignment constants are used to repeat the process and recover an increased number of suitable tracks, further improving the estimate of the alignment constants in subsequent iterations. A performance study of the process was conducted on a misaligned Tracker in the case of translation-only, and translation plus rotational misalignments. In both cases, the correct alignment constants were recovered to within statistical error after three global fit iterations. Additionally, a continuous integration system was developed for the \texttt{Mu2e/Offline} GitHub repository, introducing a convenient automated testing process for all proposed changes (``pull requests"). The tests developed included a full build of the software, followed by tests of the validation routines, geometry overlap checking, and multi-threading mode. Additionally, code quality checks and low-statistics physics comparison checks a re also available.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

VTK-m User's Guide (V.1.6)

High-performance computing relies on ever finer threading. Advances in processor technology include ever greater numbers of cores, hyperthreading, accelerators with integrated blocks of cores, and special vectorized instructions, all of which require more software parallelism to achieve peak performance. Traditional visualization solutions cannot support this extreme level of concurrency. Extreme scale systems require a new programming model and a fundamental change in how we design algorithms. To address these issues we created VTK-m: the visualization toolkit for multi-/many-core architectures.

97 MATHEMATICS AND COMPUTING↗

CpRad User's Manual

This is the reference manual for users of the C programming language based proton Radiography simulation package CpRad, pronounced "see p-rad." These simulations are developed and maintained by Los Alamos National Laboratory personnel. Currently there are threaded versions, versions written for MPI, as well as versions that use GPUs. The fundamentals of our proton radiography model are well described in a review. The ray tracing in CpRad also includes the incident angle of the protons based on position in the field of view due to the matching conditions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

2021 Microbial U (Summary Report)

The US nuclear industry is on the cusp of significant growth in the areas of advanced reactors, SMRs, and microreactors. The existing commercial nuclear reactor fleet is considering expanding the life of the reactor cores by slightly increasing enrichment of their fuel. The common thread is the demand for High Assay Low Enriched Uranium (HALEU). A technical challenge exists with a blend down of Highly Enriched Uranium (HEU) from spent nuclear fuel (SNF) to meet the American Society for Testing and Materials (ASTM) and the “Y12” specifications. U-236 impacts reactor performance and is not desired in fresh fuel cores. In order to meet tight specifications, U-236 must be diluted by addition of fresh HEU. Fresh HEU is highly sought after and not plentiful in the US. A solution to this issue lies in the application of a technology to selectively remove the U-236 with non-hazardous microorganisms, which will be evaluated in this project by experimentally separating different isotopes of uranium.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Straight Line Geometric Path Lengths – Examples and Distributions

The straight line geometric path distribution of different shapes is a fundamental parameter of any a detector sensitive and in the presence of high energy charged particles such as galactic cosmic rays (GCRs). Knowledge of the straight line path distribution can yield first estimates of the expected energy distribution due to minimum ionizing particles. This predicted shape provides a valuable interpretation tool of spectra of particles that are unlikely to stop in a detector and may present a background or desired signal. These quantities have been calculated many times before including analytically, Coleman (1973), and even in Geant4 software, (Agostinelli, Allison et al. 2003, Santin, Ivanchenko et al. 2005). For this work we utilize the Rapid Adaptable Multi-threaded Particle and Radiation Transport (RAMPART) simulation framework and collect some common shapes all with the same volume to serve as a reference of path lengths and instructions manual for computing other shapes as desired.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

VTK-m User's' Guide (V.1.7)

High-performance computing relies on ever finer threading. Advances in processor technology include ever greater numbers of cores, hyperthreading, accelerators with integrated blocks of cores, and special vectorized instructions, all of which require more software parallelism to achieve peak performance. Traditional visualization solutions cannot support this extreme level of concurrency. Extreme scale systems require a new programming model and a fundamental change in how we design algorithms. To address these issues we created VTK-m: the visualization toolkit for multi-/many-core architectures. VTK-m supports a number of algorithms and the ability to design further algorithms through a top-down design with an emphasis on extreme parallelism. VTK-m also provides support for finding and building links across topologies, making it possible to perform operations that determine manifold surfaces, interpolate generated values, and find adjacencies. Although VTK-m provides a simplified high-level interface for programming, its template-based code removes the overhead of abstraction. VTK-m simplifies the development of parallel scientific visualization algorithms by providing a framework of supporting functionality that allows developers to focus on visualization operations. Consider the listings in Figure 1.1 that compares the size of the implementation for the Marching Cubes algorithm in VTK-m with the equivalent reference implementation in the CUDA software development kit. Because VTK-m internally manages the parallel distribution of work and data, the VTK-m implementation is shorter and easier to maintain. Additionally, VTK-m provides data abstractions not provided by other libraries that make code written in VTK-m more versatile.This book includes contributions from the VTK-m community including the VTK-m development team and the user community.

97 MATHEMATICS AND COMPUTING↗

Computer Science Research Needs for Parallel Discrete Event Simulation (PDES)

Historically, scientific computing efforts have demonstrated the clear need for, and effective use of, supercomputing with traditional time-stepped simulations. Nevertheless, there are several areas in the mission spaces of the U.S. Department of Energy and other agencies waiting to tap advanced computing research using a different, discrete event style of modeling, simulation, and analysis. These span a wide spectrum of applications including energy grid resilience, urban planning and policy, transportation science, building technologies, emergency response and planning, environmental impact analysis, computational epidemiology, Internet communications, cyber security, and cyber-physical systems, to name only a few. Even within traditional scientific applications, the role of discrete event modes of execution is increasing in the form of new event-based mathematical solvers such as quantized state integration methods and discrete-continuous hybrid system solvers. Co-design of advanced supercomputing hardware systems is another area that exploits discrete event simulation at its core for effective analyses. Complex systems, entity behaviors and interconnections play a significant role in all these applications, which are mapped to large-scale models with discrete event formulations. To make advancements in all the aforementioned scientific areas, many technical aspects need to be more thoroughly studied and deeply understood in parallel discrete event simulation (PDES). The unique dynamics inherent in a discrete event modeling approach, by their very nature, intersect and influence the entire stack of the computing system, including (a) the unique nature of the instruction sets exercised in PDES workloads without a predominance of high-precision floating point operations, (b) virtual time-constrained multi-threaded execution of many logical processes per processor, (c) extremely variable and difficult to predict network traffic characteristics, (d) interfaces and inter-dependencies with machine learning and artificial intelligence codes at higher software layers, and (e) highly challenging load balancing needs, especially in effectively accounting for accelerated/extremely heterogeneous computing in current and future high-performance computing systems. Efficient and accurate parallel execution of PDES workloads is also dominated by challenges in dealing with their asynchronous concurrency fundamentally present at the model level. Conservative synchronization, optimistic/speculative synchronization, and their hybrid schemes open new questions in fundamental computer science with respect to reversibility of computation and prediction (lookahead) of behaviors inherent within model codes. On the implementation front, there are relatively few scalable, general-purpose parallel discrete event simulators in the world, and even fewer have been studied on emerging hardware platforms. To enable scientific advances using PDES, the research needs in computer science must also be pursued and met in the intersection of the algorithmic and hardware-aware aspects of scalable PDES engines. This report is aimed at capturing a computer science-oriented view of this important area of research in PDES, presenting a sample of important applications with their inherent discrete event technology elements. Needs are outlined in core areas of parallel discrete event research as well as cross-cutting directions in computer science research that positively impact scientific advancements across several important application areas. A selection of priority research opportunities in advanced computing for PDES is identified to serve as reference for key research topics and their order of importance for scientific advancements.

97 MATHEMATICS AND COMPUTING↗

8 Ft Vessel Refinishing Contract Introduction [Slides]

LANL utilizes spherical vessels for numerous basic science, materials, and system performance experiments. The 8 ft vessel was fabricated in the early 2000s to ASME B&PVC Section VIII Division 1 using HSLA-100 material. This vessel was not used operationally due to programmatic change in direction. Years of improper maintenance and storage has resulted in deterioration of sealing surfaces and bolt hole threads. New mission needs call for expanded capabilities in terms of vessel sizes, therefore refinishing the 8ft vessel is crucial.

42 ENGINEERING↗

Coincident Capture through Post-processing PTRAC [Slides]

This presentation discusses the new PTRAC capabilities and workflows. The PTRAC capability in MCNP6.3 has seen a massive overhaul since MCNP6.2. The new HDF5 file format allows for both MPI- and thread-based parallelism. MCNPTools has been updated to handle the new HDF5 PTRAC format and is now open sourced on GitHub. Built-in capabilities, such as the pulse-height tally coincident capture special treatment, can largely be replicated through separate postprocessing scripts that leverage both PTRAC and MCNPTools. This allows for greater flexibility in user-specified and controlled detector response functionality, ultimately using the MCNP code for what it is best at (i.e., particle transport).

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

The VTK-m Users' Guide (V.1.9)

High-performance computing relies on ever finer threading. Advances in processor technology include ever greater numbers of cores, hyperthreading, accelerators with integrated blocks of cores, and special vectorized instructions, all of which require more software parallelism to achieve peak performance. Traditional visualization solutions cannot support this extreme level of concurrency. Extreme scale systems require a new programming model and a fundamental change in how we design algorithms. To address these issues we created VTK-m: the visualization toolkit for multi-/many-core architectures. VTK-m supports a number of algorithms and the ability to design further algorithms through a top-down design with an emphasis on extreme parallelism. VTK-m also provides support for finding and building links across topologies, making it possible to perform operations that determine manifold surfaces, interpolate generated values, and find adjacencies. Although VTK-m provides a simplified high-level interface for programming, its template-based code removes the overhead of abstraction. VTK-m simplifies the development of parallel scientific visualization algorithms by providing a framework of supporting functionality that allows developers to focus on visualization operations. Consider the listings in Figure 1.1 that compares the size of the implementation for the Marching Cubes algorithm in VTK-m with the equivalent reference implementation in the CUDA software development kit. Because VTK-m internally manages the parallel distribution of work and data, the VTK-m implementation is shorter and easier to maintain. Additionally, VTK-m provides data abstractions not provided by other libraries that make code written in VTK-m more versatile.

97 MATHEMATICS AND COMPUTING↗

HIPPO – A Software Platform for Electricity Market Research and Development

The goal of this project is to provide Regional transmission organizations (RTOs) and independent system operators (ISOs) a market design and prototyping software, High-Performance Power-Grid Optimization (HIPPO), that they can evaluate electricity market design options, calculate market planning strategies and operational performance. With the high standards and strict reliability requirements for operating power systems, impacts of new technologies need to be fully investigated prior to any consideration for adoption. A market design and prototyping software tool which can be used to prototype electricity market design options, to calculate market planning strategies and operational performance with high precision, and to investigate the impacts for integrating future power grid technologies will be valuable to RTOs/ISOs who operate power systems, to vendors like GE and ABB who provide the market solvers, and to market participants and researchers who are actively doing market research. HIPPO is a such tool that can be used to improve the current market operations and provide capabilities for rigorous forward-looking design and prototyping of next-generation energy markets. HIPPO has a high-resolution model for the day-ahead SCUC, which was validated with MISO and GE-Grid Solutions. HIPPO is built with parallel and distributed computing capabilities and can be executed in both multi-thread and high-performance computing (HPC) settings. This capability provides fast solution speed necessary to handle the larger and more complex SCUC problems of real-world cases and the potentially growing size and complexity of future scenarios. In addition, HIPPO has a concurrent optimizer (CO) which manages multiple algorithm executions simultaneously and leverages the advantages from different algorithms. This structure provides flexibility to better benchmark competing approaches. Highly accurate market model, fast solution technologies and flexible model and algorithm control are the features which will make HIPPO an extensible platform for developing and testing multiple approaches to meet a wide range of future market needs.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Structure and Dynamics of Entanglement in Large Quantum Systems

Final technical report for he DOE QuantISED grant "Structure and Dynamics of Entanglement in Large Quantum Systems", awarded to Profs. Albion Lawrence and Matthew Headrick a Brandeis University. The work on this grant included entanglement in "matrix quantum mechanics", a system wih large numbers of degrees of freedom; the dynamics of a system coupled to a large environment; and the formulation of he "bit threads" picture of entanglement in quantum systems which are equivalent to a theory of quantum gravity.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

The VTK-m Users' Guide (V.2.0)

High-performance computing relies on ever finer threading. Advances in processor technology include ever greater numbers of cores, hyperthreading, accelerators with integrated blocks of cores, and special vectorized instructions, all of which require more software parallelism to achieve peak performance. Traditional visualization solutions cannot support this extreme level of concurrency. Extreme scale systems require a new programming model and a fundamental change in how we design algorithms. To address these issues we created VTK-m: the visualization toolkit for multi-/many-core architectures. VTK-m supports a number of algorithms and the ability to design further algorithms through a top-down design with an emphasis on extreme parallelism. VTK-m also provides support for finding and building links across topologies, making it possible to perform operations that determine manifold surfaces, interpolate generated values, and find adjacencies. Although VTK-m provides a simplified high-level interface for programming, its template-based code removes the overhead of abstraction. VTK-m simplifies the development of parallel scientific visualization algorithms by providing a framework of supporting functionality that allows developers to focus on visualization operations. Consider the listings in Figure 1.1 that compares the size of the implementation for the Marching Cubes algorithm in VTK-m with the equivalent reference implementation in the CUDA software development kit. Because VTK-m internally manages the parallel distribution of work and data, the VTK-m implementation is shorter and easier to maintain. Additionally, VTK-m provides data abstractions not provided by other libraries that make code written in VTK-m more versatile.

97 MATHEMATICS AND COMPUTING↗

xSDK-batched Subcontract - Ginkgo Batched Iterative Solver Development (Final Report)

Iterative solvers are fundamentally different from direct solvers in terms of execution as they generally do not execute a pre-defined sequence of operations or steps, but adapt the number of iterations to the specific problem and the preset solution quality. Generally, the adaptation of the iteration count to the problem is realized by monitoring the solver convergence and stopping the iteration process once the monitored metric, e.g., the residual norm, hits a pre-defined threshold. When addressing a set of problems with different properties, it is necessary to monitor the threshold for each problem individually and break up the SIMD execution style to avoid excess iterations for “easier” problems. Ginkgo integrates a simple but customizable stopping criterion for the residual norm and generally uses a pre-defined (relative or absolute) residual norm as the stopping criterion. In order to avoid the overhead of launching a kernel at every iteration, the iteration convergence and iteration control is part of the solver kernel. Each thread maintains its own copy of the iteration count.

97 MATHEMATICS AND COMPUTING↗