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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

Advances in Nuclear Data Evaluation Theory for NCSP [Slides]

The generalized form of the Bayes’ Theorem improves UQ for NCSP of differential and/or integral data evaluations and of applications. It is being implemented in an API for use by SCALE, SAMMY, etc. Extended R-matrix formalism improves evaluations of RRR including direct reactions, direct capture, and the Reich-Moore approx., doorway state reactions with applications to RPI data on lead isotopes. Extended R-Matrix formalism will be implemented into SAMMY post modernization.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Validating Thermal Compensated Deposition using Computed Aided Manufacturing Software

DP Technology Corporation’s flagship product, ESPRIT, is a highly adaptable computer-aided manufacturing system that’s used across industries and continents to create nearly anything. ESPRIT is used to generate toolpath trajectories for traditional subtractive and additive manufacturing (AM) cycles. DP Technology and Oak Ridge National Laboratory have partnered together to improve the generated additive toolpath by means of API simulation. The potential impact of this research is the enhancement of toolpath planning for additive and hybrid manufacturing. Being able to simulate and compensate for various effects such as overheating, and distortion are critical components for the industrial adoption of hybrid manufacturing processes. Industrial applications include the mold & die, automotive, and aerospace industries.

42 ENGINEERING↗

Environmental creep-fatigue and weld creep cracking: a summary of design and fitness-for-service practices

This report surveys current creep-fatigue design and fitness-for-service assessment procedures, with a particular focus on environmental effects and creep-fatigue cracking near weldments. Included in this assessment are the American Society of Mechanical Engineers Boiler and Pressure Vessel Code Section III, Division 5, the British R5 standard, the French RCC-MRx design code, the ITER Structural Design Criteria, and the API-579/ASME FFS-1 fitness-for-service rules for petrochemical components. The focus of this review is to identify gaps in the available methods that could prevent regulators from evaluating future high temperature reactor designs. The report makes recommendations, where appropriate, on actions that could be taken to fill these gaps by either providing adequate assessment procedures for creep-fatigue damage in harsh environments or by evaluating strategies vendors could use to mitigate regulatory concerns with creep-fatigue damage in high temperature reactor components.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Unified Language Frontend for Physic-Informed AI/ML

Artificial intelligence and machine learning (AI/ML) are becoming important tools for scientific modeling and simulation as in several other fields such as image analysis and natural language processing. ML techniques can leverage the computing power available in modern systems and reduce the human effort needed to configure experiments, interpret and visualize results, draw conclusions from huge quantities of raw data, and build surrogates for physics based models. Domain scientists in fields like fluid dynamics, microelectronics and chemistry can automate many of their most difficult and repetitive tasks or improve the design times by use of the faster ML-surrogates. However, modern ML and traditional scientific highperformance computing (HPC) tend to use completely different software ecosystems. While ML frameworks like PyTorch and TensorFlow provide Python APIs, most HPC applications and libraries are written in C++. Direct interoperability between the two languages is possible but is tedious and error-prone. In this work, we show that a compiler-based approach can bridge the gap between ML frameworks and scientific software with less developer effort and better efficiency. We use the MLIR (multi-level intermediate representation) ecosystem to compile a pre-trained convolutional neural network (CNN) in PyTorch to freestanding C++ source code in the Kokkos programming model. Kokkos is a programming model widely used in HPC to write portable, shared-memory parallel code that can natively target a variety of CPU and GPU architectures. Our compiler-generated source code can be directly integrated into any Kokkosbased application with no dependencies on Python or cross-language interfaces.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Computed Tomography Scanning and Geophysical Measurements of the Wellington 1-32 Core

The computed tomography (CT) facilities and the Multi-Sensor Core Logger (MSCL) at the U.S. Department of Energy’s (DOE), National Energy Technology Laboratory (NETL) in Morgantown, West Virginia were used to characterize core from the Wellington 1-32 well (API 15-191-22591), a small-scale field test site in the Wellington Field, in Sumner County, Kansas. Wellington 1-32 was drilled in association with the Kansas Geologic Survey’s (KGS) Phase I pre-feasibility study under the DOE-NETL Carbon Storage Assurance Facility Enterprise (CarbonSAFE) program, with the goal of utilizing the Arbuckle Group as a reservoir for CO 2 storage and the potential for stacked reservoir enhanced oil recovery from Mississippian reservoirs.

58 GEOSCIENCES↗

Viability of S3 Object Storage for the ASC Program at Sandia

Recent efforts at Sandia such as DataSEA are creating search engines that enable analysts to query the institution’s massive archive of simulation and experiment data. The benefit of this work is that analysts will be able to retrieve all historical information about a system component that the institution has amassed over the years and make better-informed decisions in current work. As DataSEA gains momentum, it faces multiple technical challenges relating to capacity storage. From a raw capacity perspective, data producers will rapidly overwhelm the system with massive amounts of data. From an accessibility perspective, analysts will expect to be able to retrieve any portion of the bulk data, from any system on the enterprise network. Sandia’s Institutional Computing is mitigating storage problems at the enterprise level by procuring new capacity storage systems that can be accessed from anywhere on the enterprise network. These systems use the simple storage service, or S3, API for data transfers. While S3 uses objects instead of files, users can access it from their desktops or Sandia’s high-performance computing (HPC) platforms. S3 is particularly well suited for bulk storage in DataSEA, as datasets can be decomposed into object that can be referenced and retrieved individually, as needed by an analyst. In this report we describe our experiences working with S3 storage and provide information about how developers can leverage Sandia’s current systems. We present performance results from two sets of experiments. First, we measure S3 throughput when exchanging data between four different HPC platforms and two different enterprise S3 storage systems on the Sandia Restricted Network (SRN). Second, we measure the performance of S3 when communicating with a custom-built Ceph storage system that was constructed from HPC components. Overall, while S3 storage is significantly slower than traditional HPC storage, it provides significant accessibility benefits that will be valuable for archiving and exploiting historical data. There are multiple opportunities that arise from this work, including enhancing DataSEA to leverage S3 for bulk storage and adding native S3 support to Sandia’s IOSS library.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Modernization efforts for the R-Matrix code SAMMY [Slides]

This presentation details modernization efforts for the R-Matrix code SAMMY. It provides an overview of SAMMY, modernization and maintenance goals, modernization accomplishments, covariance data, SAMMY API development, as well as future plans.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Status of the Atlas of Neutron Resonances [Slides]

The Atlas of Neutron Resonances is the most comprehensive compilation of neutron resonances, thermal cross sections, resonance integrals and Maxwellian averaged cross sections generally available. For decades, the Atlas was carefully curated and maintained by Dr. Said Mughabghab who sadly passed on during the summer of 2018 after publishing the 2018 edition of the Atlas . We are continuing the development of this important compendium. To a large extent, the Atlas book is generated from a series of text files given in a single purpose domain-specific format. Therefore, we developed a software API and began the systematic assessment of the Atlas files. With this work past, we are now focusing on new efforts to expand the quality and scope of the Atlas . Current and recently completed projects include a cross comparison of the Atlas bibliography with Nuclear Science References and the EXFOR data library, a better determination of average resonance parameters, and using machine learning to assess the correctness of the spin group assignments of resonances tabulated in the Atlas .

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

CrossLink: General Overview [Slides]

Problem: Traditional mesh generation approaches are labor intensive and have limited robustness when applied to parametric design exploration and optimization of complex geometries. While automatic mesh generation approaches exist, they tend to generate tetrahedral or mixed-hybrid meshes which are generally unsuitable for physics applications with strong shock waves, thin boundary layers, and strong gradients. In addition, simulations sizes in the billions of cells are becoming more common with traditional mesh generation methods quickly reaching scalability limits. Solution: CrossLink offers a topology-based mesh generation approach with unstructured block-filling methods and a scalable mesh generation engine. In addition, CrossLink incorporates a python-based API for seamless workflow integration and robust repeatability of the geometry handling and mesh generation process. This makes it ideal for parametric design study and optimization of complex geometries. Finally, future versions of CrossLink will offer a parametric mesh capability that optimizes a high-order mesh and enables reconstruction of the final mesh in memory by the physics solver.

97 MATHEMATICS AND COMPUTING↗

GNDS v2.0 release and future developments [Slides]

This presentation begins by discussing the major changes in v2.0 of GNDS and that the GNDS-2.0 formatted libraries are now available. It also examines how code support for GNDS is growing with processing codes, APIs and transport codes, and evaluation/testing codes. The presentation states that while migrating to GNDS can be a major effort it worthwhile, especially for anyone who is just getting started as nuclear data creator or user. Additionally, this presentation outlines the established milestones that the EG-GNDS (the group in charge of GNDS specs) has for the next GNDS release and elaborates on the first goal, which is to migrate GNDS specifications to the new JSON schema language.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

PipeSight: A High-Performance Computing Platform for Pipeline Integrity Management

The Phase I feasibility study completed as part of this project has led to a number of innovative technologies being developed and has laid the foundation for a successful Phase II effort to commercialize a platform for managing the integrity of pipelines for the damage mechanisms of the new, hybrid-energy based economy. To ground the development efforts and direction of the project, an extensive market research and customer discovery effort was undertaken early in Phase I. Through this effort, a number of pipeline owners and operators were interviewed, and the following key findings were discovered about the pipeline industry: • Small pipeline operators do not have the central engineering groups necessary to perform their own independent analysis of inspection data, but instead rely on summarized tally sheets provided to them by inspection service providers. • The time it takes to go from an inspection to a completed engineering assessment, even for small segments of pipeline, can take anywhere from 30-120 days. During this delay, critical threats can (and have been known to) cause failures. • Uncertainty is often not accounted for in the assessment of pipeline integrity. The tally sheets provided by third-party service providers are almost always deterministic in nature, identifying threats that present a concern only to the current (not the future) integrity of the pipeline. • It is uncommon to apply the latest technologies to perform advanced assessments of damaged pipelines. There is a desire to use more advanced analysis capabilities to assess threats. Many pipeline operators indicated that they would often excavate a pipeline to perform an inspection and find that the damage was not as bad as they anticipated, thus using limited resources unnecessarily. Companies are not consistent in their use of inspection data to determine corrosion rates, and those that do only calculate deterministic corrosion rates. • The industry has prominently relied on time-based inspections but has recently started to transition to risk-based inspections. However, there appears to be no uniform guidance on how to do so while properly accounting for all sources of uncertainty. • Companies are not storing inspection data in a manner that allows for the ready determination of temporal trends. • Predictive maintenance principles and practices are beginning to be used by early adopters • Some pipelines are being re-purposed to transport different process fluids than they were designed for, e.g., H 2 and CO 2 rich process streams to serve the new hybrid-energy based economy, which are presenting new integrity concerns for the existing pipeline network that crisscrosses the United States. As a result of these discoveries, we were able to target the development efforts in Phase I to best serve the needs of the industry. In Phase I, we developed a way to correlate multiple large-scale scans of the pipeline to determine a probabilistic corrosion rate that accounts for all sources of error and uncertainty in the inspection process. This probabilistic corrosion rate can be used to predict the future thickness distribution of the pipe wall. We demonstrate how this analysis may be performed in an analytical fashion and has been implemented in such a manner that it can be readily distributed using GPU computing through integration of the Kokkos programming model. We also make a very novel extension of the analytical corrosion rate model to Bayesian Networks (an explainable AI technique) that can account for non-parametric distributions of corrosion rates. With the predictions made above for the probabilistic corrosion rate and corresponding future distribution of the pipe wall thickness, we can assess the integrity of the pipeline through the use of a probabilistic engineering assessment. We developed a novel screening data analysis approach that can rapidly identify ‘hotspots’ (local thin areas) where the integrity of the pipeline is a concern. Once more, we implemented this screening approach in C++ to leverage GPU computing via the Kokkos programming model. After the critical hotspots are identified, we developed a program that can automatically generate an advanced finite element model of the damaged regions. Since the number of damaged regions that require advanced analysis can number in the thousands, we integrated an open-source container-native workflow engine for orchestrating parallel jobs on the cloud. Initially, these advanced numerical models were only designed to account for loading due to internal pressure. However, in a slight pivot from the initial Phase I proposal, we developed a complete pipe stress analysis program (called Simflex) which can simulate the complete pipeline and its response to thermal expansion, pressure, thermal bowing, weight, wind, earthquake, support displacement, support friction and external forces. This pipe stress analysis program was written generically, to handle any piping system, but contains the features needed to model long pipelines (i.e., it incorporates a model for soil mechanics and can account for the nonlinear boundary conditions necessary to simulate long underground pipelines). This pipe stress analysis program can simulate any segment of the pipeline (simple or complex) under any set of conditions and loads, to determine the supplemental loads (axial forces and bending moments) at the location of damage. This enables the most accurate state of stress to be accounted for in the pipeline, which can prove critical when evaluating the integrity of a damaged region. In the process of developing the technologies to perform the integrity assessment of the pipeline, we also extended one of the industry standard approaches for performing the assessment of local thin areas that extend more in the circumferential direction than the longitudinal direction of the pipeline. This approach was presented to the API 579-1/AS ME FFS-1 steering committee in November 2021 for consideration in the next edition of the industry standard for Fitness-For-Service (expected to be released in 2023). To help pipeline operators make decisions with the results on any integrity assessment, we developed a new approach to the life-cycle management of pipelines which uses a Bayesian Decision Network. The network is designed to help pipeline operators plan and prioritize inspection activities and ultimately make smarter, more cost-effective decisions. The Bayesian approach accounts for all sources of uncertainty and carries them through to the final optimal decisions, providing a probabilistic framework for optimizing inspection intervals. The proof-of-concept networks developed in the feasibility study are complete, verified, and are focused on a subset of the pipeline. To expand this novel approach to the scale necessary for an entire network of pipelines in Phase II, we will leverage the DOE-funded Bengi solver for industrial-scale decision making with Bayesian Networks [22]. Once implemented, we will be able to provide the pipeline industry with a much-needed tool for optimal inspection planning using truly explainable artificial intelligence (XAI). To handle all of these advanced capabilities into a cloud-based platform, the architecture of the Equity Engineering Cloud (EEC) was extended to include Argo Workflows, a framework capable of distributing and managing a massive number of jobs that consume their own resources, such that thousands of serial finite element simulations can be run in parallel. As part of this substantial undertaking, we also integrated Argo Continuous Delivery (CD) into the EEC, to aid with the rapid prototyping and iterations that will be imperative to the success of the PipeSight platform’s Agile development process in Phase II. As part of the pipe stress analysis program, we also developed a custom visualizer that leverages the DOE-funded VTK visualization library. We added custom contouring capabilities and a means for interacting visually with both the inputs and outputs of the pipe stress analysis program. We also developed routines for automating the post-processing of the finite element simulations to determine if any failure criteria are met and to visualize the deformations, stresses and strains in ParaView using the exodus II file format (a subset of netCDF).

24 POWER TRANSMISSION AND DISTRIBUTION↗

CrossLink: Advancements in Scalable Unstructured Mesh Generation [Slides]

Traditional mesh generation approaches are labor intensive and have limited robustness when applied to parametric design exploration and optimization of complex geometries. While automatic mesh generation approaches exist, they tend to generate tetrahedral or mixed-hybrid meshes which are generally unsuitable for physics applications with strong shock waves, thin boundary layers, and strong gradients. In addition, simulations sizes in the billions of cells are becoming more common with traditional mesh generation methods quickly reaching scalability limits. CrossLink offers a topology-based mesh generation approach with unstructured block-filling methods and a scalable mesh generation engine. In addition, CrossLink incorporates a python based API for seamless workflow integration and robust repeatability of the geometry handling and mesh generation process. This makes it ideal for parametric design study and optimization of complex geometries. Finally, future versions of CrossLink will offer a parametric mesh capability that optimizes a high-order mesh and enables reconstruction of the final mesh in memory by the physics solver.

97 MATHEMATICS AND COMPUTING↗

Useability and Optimization Improvements in MOOSE

The Multiphysics Object-Oriented Simulation Environment (MOOSE) framework is a foundational capability used by the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program to create over 15 different simulation tools for advanced nuclear reactors. Due to this broad use, improvements to the framework in support of modeling and simulation goals are critical to the program. These improvements can take many forms, including optimization, improved user experience, streamlined application programming interfaces (APIs), parallelism, and new capabilities. The work transcribed in this report was conducted in direct support of the simulation tools and has already been deployed or will be deployed in the coming months. The capabilities were implemented in the same order as they are covered in this report: increased support of face variables, arbitrary spatial and temporal evaluation of material properties, and the addition of a triangular meshing library in libMesh.

97 MATHEMATICS AND COMPUTING↗

NEAMS Technical Area Support in MOOSE

The Multiphysics Object-Oriented Simulation Environment (MOOSE) framework is a foundational capability used by the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program to create over 15 different simulation tools for advanced nuclear reactors. Due to this ubiquity, improvements to the framework in support of modeling and simulation goals are critical to the program. These improvements can take many forms, including optimization, improved user experience, streamlined application programming interfaces (APIs), parallelism, and new capabilities. The work transcribed in this report was conducted in direct support of the simulation tools and has already been deployed. The capabilities outlined in this report include a factor of 10^4 improvement in dependency resolution speed, sorting of user objects, ability to compute residuals and Jacobians together, transfer fixes, support for the mortar method in finite volume discretizations, addition of generalized advection schemes for fluid simulations, 10^2 speedup in some Griffin simulations due to a new matrix-only solve type, and much more.

97 MATHEMATICS AND COMPUTING↗

The Effects of Conditioning and Additives on the Viscosity Measurement of Cement Slurries

This study compares the rheological properties of several cement slurries of Class H, Class G, and two pozzolan-amended cement recipes. Viscosity measurements were taken on both preconditioned and unconditioned cement slurries. Tests were performed using a dual cylinder viscometer following the recommendations of the American Petroleum Institute (API). It was observed that the effect of conditioning on viscosity increased with the increase of particle size in the comparison of Class G to Class H cement. The addition of fly ash significantly changed how cement would react to conditioning. The unconditioned pozzolan-amended cement slurry’s viscosity decreased with the addition of fly ash, whereas the conditioned pozzolan-amended cement slurry increased with the addition of fly ash.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

An Overview of the Molten Salt Thermal Properties Database–Thermophysical, Version 2.1.1 (MSTDB-TP v.2.1.1)

The current status of the Molten Salt Thermodynamic Database- Thermal Physical (MSTDB-TP) is reported. Building off of MSTDB-TP and through the direction of the Roadmap for thermal property measurement of Molten Salt Reactor systems, MSTDB-TP 2.1.1 has now been released containing a total 448 salt entries (data from 140+independent studies) compared to the original commit of 62, containing thermophysical properties including density, viscosity, thermal conductivity, and heat capacity. Along with the new database release, further advancement of Saline, a C++application programming interface (API), and a graphical user interface (GUI) has facilitated increased user/developer interaction with the database. Furthermore, estimation techniques, first principles calculations (Ab-Initio) and interpolation/extrapolation methods (Redlich-Kister/Muggianu), have shown great promise in the future of thermophysical property determination for filling out compositional spaces and investigating experimentally difficult salts (hazardous/expensive). This report describes the database composition, development and advancement of database tools, and the strategy of advancing and implementing estimation data into future iterations of the database for MSTDB-TP.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Computed Tomography Scanning and Petrophysical Measurements of the Lively Grove #1 Well Core

The computed tomography (CT) facilities and the Multi-Sensor Core Logger (MSCL) at the National Energy Technology Laboratory (NETL) in Morgantown, West Virginia were used to characterize core from the Lively Grove #1 Well (API 121892494700), drilled near Marissa, Washington County, Illinois. Core from the well was obtained as part of the Illinois Storage Corridor’s Carbon Storage Assurance Facility Enterprise (CarbonSAFE) project (DE FE0031892). The primary impetus of this work was to capture a detailed digital representation of the core from the Lively Grove #1 Well. The collaboration between the U.S. Department of Energy’s (DOE) NETL and the Illinois State Geological Survey (ISGS) enables other research entities to access information about this potential carbon storage location and Cambro-Ordovician Storage Complex formations of the Illinois Basin. The resultant datasets are presented in this report and can be accessed from NETL’s Energy Data eXchange (EDX) online system. All equipment and techniques used were non-destructive, enabling future examinations and analyses to be performed on these cores. Fractures, discontinuities, and millimeter-scale features were readily detectable with the medical CT scanner-acquired images. Imaging with the NETL medical CT scanner was performed on entire cores. Qualitative analysis of the medical CT images, coupled with X-ray fluorescence (XRF), gamma density, and magnetic susceptibility measurements from the MSCL were useful in identifying zones of interest for potential future analysis. Higher-resolution industrial and micro-CT images were acquired from selected zones along the depth of the core to visualize the structure in higher detail. The ability to quickly identify key areas for more detailed study with higher resolution will save time and resources in future studies. The combination of methods used provides a multi-scale analysis of the core; with the resulting macro- and micro-descriptions relevant to many subsurface energy related examinations traditionally performed at NETL.

54 ENVIRONMENTAL SCIENCES↗

User-oriented Improvements in the MOOSE Framework in Support of Multiphysics Simulation

The Multiphysics Object-Oriented Simulation Environment (MOOSE) framework is a foundational capability used by the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program to create over 15 different simulation tools for advanced nuclear reactors. Due to this ubiquity, improvements to the framework in support of modeling and simulation goals are critical to the program. These improvements can take many forms, including optimization, improved user experience, streamlined application programming interfaces (APIs), parallelism, and new capabilities. The work transcribed in this report was conducted in direct support of the simulation tools and has already been deployed or will be deployed in the coming months. The capabilities were implemented in the same order as they are covered in this report: chainable execution objects or executors, support for transfers between same-level applications in a coupling scheme, support for boundary/subdomain restricted transfers, support for transfers between applications with different coordinate or unit systems, support for MOOSE applications in the NEAMS Workbench, deployment of the MOOSE application of the Idaho National Laboratory (INL) high-performance computing (HPC) OnDemand platform, the addition of a triangular meshing library in libMesh, and increased support of face variables.

97 MATHEMATICS AND COMPUTING↗