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DOE OSTI2018

MP1 Intermediate Characterization Report Summary

Great effort worldwide has been invested in replacing high enriched uranium (HEU) fuel with low enriched uranium (LEU) fuel in nuclear plants. This effort aims in safeguarding nuclear material and promoting the proliferation resistance of current reactors. The United States Department of Energy (DOE), National Nuclear Security Administration's (NNSA) Materials Management and Minimization Reactor Conversion program is actively working to convert civilian research and test reactors from the use of HEU to LEU fuel. To date, DOE NNSA has converted or verified the shutdown of various domestic reactors and also reactors worldwide. The task to develop and test a new LEU fuel while maintaining current performances has been assigned to the High-Performance Research Reactor (USHPRR) program. U alloyed with Mo achieves the goal of high uranium density necessary for the conversion of the high performance research reactors, and has also demonstrated good performance in pile [1]. The alloying process of U with Mo stabilizes the body-centered cubic (bcc) gamma phase (?-U) at room temperature. Without this alloying property enhancement, this phase is only stable at temperatures only above 770 °C. Retaining this isotropic gamma phase within the U-Mo alloy provides swelling and oxidation resistance and desired mechanical properties [2]. Generally 10% w. has been considered sufficient to achieve stabilization. However, local phenomena within the alloy can affect the local Mo content and lead to gamma phase decomposition. Because of this, it has been suggested that controlling gamma phase decomposition is most critical during processing [2-3]. The work detailed in this document is part of the HPPR program and focuses on the characterization of fresh fuel (a.k.a. as fabricated, before reactor testing) in collaboration with other laboratories including PNNL (Pacific Northwest National Laboratory), LANL (Los Alamos National Laboratory) and BWXT (Babcock and Wilcox Technologies). This testing is part of a 4 way validation for which similar samples from master plates were taken and distributed to each laboratory to independently analyze utilizing a standardized set of measurement and analysis procedures. When complete this work will supply a “toolbox” of information for alloying and fabrication parameters with its direct effects on microstructure quantified. Various parameters have been analyzed in this characterization effort (including grain size, quality of the coating layer, composition of the samples, carbide content etc.), based on the direction of the working group in ref.[4]. The final aim of this work is to increase the understanding of the impact of processing conditions on the final fuel microstructure, using fabrication processes that meet “commercial viability” requirements [4]. The strength of this campaign rests on the extent of the samples studied and the variation of the manufacture parameters which will permit to achieve the required understanding. Thus permitting to use these experiments to down-select test samples used to evaluate irradiation performance [4] to be tested in various locations of the Idaho National Laboratory (INL) Advanced Test Reactor (ATR).

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2017

Stochastic optimization of GeantV code by use of genetic algorithms

GeantV is a complex system based on the interaction of different modules needed for detector simulation, which include transport of particles in fields, physics models simulating their interactions with matter and a geometrical modeler library for describing the detector and locating the particles and computing the path length to the current volume boundary. The GeantV project is recasting the classical simulation approach to get maximum benefit from SIMD/MIMD computational architectures and highly massive parallel systems. This involves finding the appropriate balance between several aspects influencing computational performance (floating-point performance, usage of off-chip memory bandwidth, specification of cache hierarchy, etc.) and handling a large number of program parameters that have to be optimized to achieve the best simulation throughput. This optimization task can be treated as a black-box optimization problem, which requires searching the optimum set of parameters using only point-wise function evaluations. Here, the goal of this study is to provide a mechanism for optimizing complex systems (high energy physics particle transport simulations) with the help of genetic algorithms and evolution strategies as tuning procedures for massive parallel simulations. One of the described approaches is based on introducing a specific multivariate analysis operator that could be used in case of resource expensive or time consuming evaluations of fitness functions, in order to speed-up the convergence of the black-box optimization problem.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2018

USHPRR FUEL FABRICATION PILLAR: FABRICATION STATUS, PROCESS OPTIMIZATIONS, AND FUTURE PLANS

The Fuel Fabrication (FF) Pillar, a project within the U.S. High Performance Research Reactor Conversion program of the National Nuclear Security Administration’s Office of Material Management and Minimization, is tasked with the scale-up and commercialization of high-density monolithic U-Mo fuel for the conversion of appropriate research reactors to use of low-enriched fuel. The FF Pillar has made significant steps to demonstrate and optimize the baseline co-rolling process using commercial-scale equipment at both the Y-12 National Security Complex (Y-12) and BWX Technologies (BWXT). These demonstrations include the fabrication of the next irradiation experiment, Mini-Plate 1 (MP-1), and casting optimizations at Y-12. The FF Pillar uses a detailed process flow diagram to identify potential gaps in processing knowledge or demonstration, which helps direct the strategic research agenda of the FF Pillar. This paper describes the significant progress made toward understanding the fuel characteristics, and models developed to make informed decisions, increase process yield, and decrease lifecycle waste and costs.

Wight, Jared M.↗

DOE OSTI2021

Utilizing Additive Manufacturing to Create Prototype and Functional Beamline Instrumentation and Support Components

The world of beamline science is often fast-paced and dynamic. One of the major challenges in this environment is to be able to design, manufacture and then implement new items for use on the beamlines in a fast and accurate manner. Many times, this involves iterating the design to address unknown or new variables which were not pre- sent at the beginning of the project planning task. Through the use of additive manufacturing, I have been able to support the user programs of various (APS) Ad- vanced Photon Source beamlines* across multiple scien- tific disciplines. I will provide a few detailed examples of Items that were created for specific beamline applications and discuss what benefits they provided to the pertinent project. I will also talk about why choosing consumer- level printer options to produce the parts has been the direction I went and the pros and cons of this decision. Pri marily, this choice allowed for quicker turnaround times and the ability to make more frequent changes in an efficient manner. Currently, we are utilizing only the fused deposition modelling (FDM) type printers but I am exploring the addition of UV-activated resin printing, exotic materials that can be utilized using the current toolset, and the possibility of commercial metal printing systems. This technology has been a game-changer for the implementation of new support items and instrumentation over the last couple of years for the different disciplines I am sup- porting. I will discuss how the roadmap ahead and what the evolving technologies could potentially allow us to do.

Jensen, D.↗

DOE OSTI2017

High Dexterity Robotics for Safety and Emergency Response - 17104

Recently, significant advances in robotics have led to increased use in industrial and military applications. For example, the military has used explosive ordnance disposal (EOD) robots to enable responders to remotely investigate hazardous environments. While EOD robots have saved many lives, their utility is hampered by: 1) limited ability to manipulate complex objects and mechanisms (e.g. open a car door, operate power tools or turn valves), and 2) the requirement for significant operator training using joystick-type interfaces. Most robots today have simplistic manipulators and cannot easily operate in environments designed for humans as evidenced by the recent Amazon Picking Challenge and the DARPA Robotics Challenge. Simple tasks that humans perform easily, such as picking up objects or operating a cutting tool, require customized rigs that are expensive and time-consuming to use. The specialized nature of these robots limits their utility in highly unstructured environments, for example during emergency situations where a robot may need to be rapidly re-purposed for an unanticipated situation (i.e. the Fukushima nuclear disaster). Robots are needed that can perform complex human-like tasks and are easy to use for everyday and emergency tasks. In 2005 the Defense Advanced Research Projects Agency (DARPA) initiated the Revolutionizing Prosthetics (RP) Program with the goal of creating prosthetics as capable as the human arm and a human-machine interface enabling highly intuitive operation. The Johns Hopkins University Applied Physics Laboratory (JHU/APL) created the Modular Prosthetic Limb (MPL), originally developed for amputees and paralyzed individuals as part of the RP Program, to replicate the capability of the human hand and arm to the extent technologically possible. With 26 joints and over 180 sensors, it is one of the most sophisticated and fully integrated robotic arms in the world. We have also demonstrated human-machine interface techniques that are highly intuitive requiring minimal training. While the MPL was originally designed as a prosthetic, it has also been incorporated into mobile robotic systems to project human capability. Using tele-operation, we have demonstrated the ability to perform dual-arm remote operations in complex environments. For nuclear facilities, high dexterity robots combined with tele-operation offer the potential to enhance worker safety, productivity and quality. Safety enhancements include enabling remote operation in hazardous environments, remote handling of heavy or dangerous materials, and elimination of injury due to repetitive motions. Because the MPL is designed to function like a human limb, the robot can work in environments designed for humans with limited need for specialized tools. When used for routine operations, it can also maintain a level of familiarity and confidence that effectively accomplishes reinforcement training for use in emergency situations, unlike a specialized robot that might sit unused for months or years at a time. In August 2016 we demonstrated the use of the MPL at the Portsmouth Gaseous Diffusion Plant in Piketon, Ohio. Two robotic platform technologies were demonstrated to familiarize the DOE Emergency Management's (EM) workforce on the potential benefits of this technology. Here we present the results of those efforts, highlight the lessons learned during 'EM Week,' and outline potential future developments that could further advance application of these technologies to enhance worker safety. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2017

Task allocation in geo-distributed cyber-physical systems - 256

This paper studies the task allocation algorithm for a distributed test facility (DTF), which aims to assemble geo-distributed cyber (software) and physical (hardware in the loop) components into a prototype cyber-physical system (CPS). This allows low cost testing on an early conceptual prototype (ECP) of the ultimate CPS (UCPS) to be developed. The DTF provides an instrumentation interface for carrying out reliability experiments remotely such as fault propagation analysis and in-situ testing of hardware and software components in a simulated environment. Unfortunately, the geo-distribution introduces an overhead that is not inherent to the UCPS, i.e. a significant time delay in communication that threatens the stability of the ECP and is not an appropriate representation of the behavior of the UCPS. This can be mitigated by implementing a task allocation algorithm to find a suitable configuration and assign the software components to appropriate computational locations, dynamically. This would allow the ECP to operate more efficiently with less probability of being unstable due to the delays introduced by geo-distribution. The task allocation algorithm proposed in this work uses a Monte Carlo approach along with Dynamic Programming to identify the optimal network configuration to keep the time delays to a minimum. (authors)

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

ASME Design Code Rule Changes for Nuclear Graphite

The American Society of Mechanical Engineers Boiler Pressure and Vessel Code (ASME BPVC) Section III, Division 5, Article HHA-3000 outlines graphite core component and graphite core assembly design guidelines. Graphite core components are defined as ?components manufactured from graphite that are installed to form a graphite core assembly within the reactor pressure vessel of a high temperature, graphite moderated fission reactor.? (p. 413) Graphites? inherent defect distributions do not allow for deterministic material reliability. Rather, graphite has variable strength distributions which change by grade. Article HHA-3000 outlines two semi-probabilistic methods, the full and simplified assessments, which set design load limit targets for each of three component structural reliability classes. The Design Task Group was officially recognized as a specialized task group within ASME November of 2023, though we?ve been collaborating since 2022. The purpose of the Design Task Group is to correct, clarify, and make HHA-3000 function as intended. The Design Task Group will sunset once we?ve achieved our objectives. The Design Task Group was specifically told to not write new Code. While there may be more precise and more accurate methods to determine reliability targets, the current methods are conservative, relatively simple to implement, and have thus far been considered satisfactory for setting design reliability targets. Much of the ground-work to write proposal files and background documents for records to make the changes needed to achieve our objective have been completed. The Design Task Group has documented much of their work through papers, presentations, and memorandums. Three memorandums in which INL team members had substantial contributions are found in the Appendices: FEA Modeling for the Baseline Program, Evaluating the Effects on Margin of Updating the Threshold and Shape Parameters in the Full Assessment, and Interpretations of the Full and Simplified Assessments in ASME BPVC. Most of the on-going work to achieve the Design Task Group?s objective will be addressing comments on existing records and moving records through the balloting process. The Design Task Group met bi-weekly mostly through the end of FY2023. Since February 2024, the Design Task Group has mostly been completed with solving and documenting the technical issues associated with the assessments. Unless new tasks are identified, the remaining work of the Design Task Group will be political and editorial.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2017

Hanford Waste End Effector Prototype Test Plan

This test plan describes the Phase 1 testing program of the Hanford Waste End Effector (HWEE) at the Washington River Protection Solutions (WRPS) Cold Test Facility (CTF) using a Pacific Northwest National Laboratory (PNNL)-designed testing setup. This task supports Phase 1 development testing of the HWEE to support the informational needs for initial assessment of the HWEE to support Hanford single shell tank A-105 retrieval. This task will install the HWEE on a PNNL-designed robotic gantry system at CTF, install instrumentation to measure reaction forces and process parameters, prepare and characterize simulant materials, and implement the test program. The tests will involve retrieval of water, sludge, and hardpan simulants to determine pumping rate, dilution factors, and screen fouling rate.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2017

Hanford Waste End Effector Prototype Test Plan (Rev.1)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2020

P SI4 1.4: Open-source software for high-throughput quantum chemistry

PSI4 is a free and open-source ab initio electronic structure program providing implementations of Hartree–Fock, density functional theory, many-body perturbation theory, configuration interaction, density cumulant theory, symmetry-adapted perturbation theory, and coupled-cluster theory. Most of the methods are quite efficient, thanks to density fitting and multi-core parallelism. The program is a hybrid of C++ and Python, and calculations may be run with very simple text files or using the Python API, facilitating post-processing and complex workflows; method developers also have access to most of PSI4 's core functionalities via Python. Job specification may be passed using The Molecular Sciences Software Institute (MolSSI) QCSCHEMA data format, facilitating interoperability. We announce a rewrite of our top-level computation driver, and concomitant adoption of the MolSSI QCARCHIVE INFRASTRUCTURE project, makes the latest version of PSI4 well suited to distributed computation of large numbers of independent tasks. The project has fostered the development of independent software components that may be reused in other quantum chemistry programs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2019

MPI + OpenACC: Accelerating radiation transport mini-application, minisweep, on heterogeneous systems

According to the article, architectures are rapidly evolving, and exascale machines are expected to offer billion-way concurrency. We need to rethink algorithms, languages and programming models among other components in order to migrate large scale applications and explore parallelism on these machines. Although directive-based programming models allow programmers to worry less about programming and more about science, expressing complex parallel patterns in these models can be a daunting task especially when the goal is to match the performance that the hardware platforms can offer. One such pattern is wavefront. This paper extensively studies a wavefront-based miniapplication for Denovo, a production code for nuclear reactor modeling. We parallelize the Koch–Baker–Alcouffe (KBA) parallel-wavefront sweep algorithm in the main kernel of Minisweep (the miniapplication) using CUDA 9.0, OpenMP 4.0 (SIMD) and OpenACC 2.6. Our OpenACC implementation running on NVIDIA’s next-generation Volta GPU boasts an 85.06x speedup over serial code, which is larger than CUDA’s 83.72x speedup over the same serial implementation. We also explore the scalability of our solution using MPI to decompose our simulation domain, allowing us to run on many nodes and accelerators present in state-of-the-art HPC systems. Our parallelization effort across platforms also motivated us to define an abstract parallelism model that is architecture independent, with a goal of creating software abstractions that can be used by applications employing the wavefront sweep motif.

Computer Science↗

DOE OSTI2018

Abstractions and Directives for Adapting Wavefront Algorithms to Future Architectures

Architectures are rapidly evolving, and exascale machines are expected to offer billion-way concurrency. We need to rethink algorithms, languages and programming models among other components in order to migrate large scale applications and explore parallelism on these machines. Although directive-based programming models allow programmers to worry less about programming and more about science, expressing complex parallel patterns in these models can be a daunting task especially when the goal is to match the performance that the hardware platforms can offer. One such pattern is wavefront. This paper extensively studies a wavefront-based miniapplication for Denovo, a production code for nuclear reactor modeling. We parallelize the Koch-Baker-Alcouffe (KBA) parallel-wavefront sweep algorithm in the main kernel of Minisweep (the miniapplication) using CUDA, OpenMP and OpenACC. Our OpenACC implementation running on NVIDIA's next-generation Volta GPU boasts an 85.06x speedup over serial code, which is larger than CUDA's 83.72x speedup over the same serial implementation. Our experimental platform includes SummitDev, an ORNL representative architecture of the upcoming Summit supercomputer. Our parallelization effort across platforms also motivated us to define an abstract parallelism model that is architecture independent, with a goal of creating software abstractions that can be used by applications employing the wavefront sweep motif.

Searles, Robert↗

DOE OSTI2024

Axolotl: a scalable genomics library based on Apache Spark (Axolotl) v1.0.0

Axolotl is a Python library for scalable distributed genome and metagenome data analysis. Existing tools and systems that we rely on are struggling to keep up with the rapid explosion of genomic data. Compounding this issue, developing scalable solutions require a steep learning curve in parallel programming, which presents a barrier to academic researchers. While we do have scalable solutions for specific tasks, we lack comprehensive, end-to-end solutions. It's this gap in our toolkit that we aim to address with Axolotl. The Axolotl library is built for easy parallel processing, efficiently handling multiple tasks or large datasets simultaneously, and scaling up to meet the demands of extensive genomic data analysis.

Wang, Zhong↗

DOE OSTI2024

xesn: Echo state networks powered by Xarray and Dask

Xesn is a Python package that allows scientists to easily design Echo State Networks (ESNs) for forecasting problems. ESNs are a Recurrent Neural Network architecture introduced by Jaeger (2001) that are part of a class of techniques termed Reservoir Computing. One defining characteristic of these techniques is that all internal weights are determined by a handful of global, scalar parameters, thereby avoiding problems during backpropagation and reducing training time significantly. Because this architecture is conceptually simple, many scientists implement ESNs from scratch, leading to questions about computational performance. Xesn offers a straightforward, standard implementation of ESNs that operates efficiently on CPU and GPU hardware. The package leverages optimization tools to automate the parameter selection process, so that scientists can reduce the time finding a good architecture and focus on using ESNs for their domain application. Importantly, the package flexibly handles forecasting tasks for out-of-core, multi-dimensional datasets, eliminating the need to write parallel programming code. Xesn was initially developed to handle the problem of forecasting weather dynamics, and so it integrates naturally with Python packages that have become familiar to weather and climate scientists such as Xarray (Hoyer & Hamman, 2017). However, the software is ultimately general enough to be utilized in other domains where ESNs have been useful, such as in signal processing (Jaeger & Haas, 2004).

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2019

Evaluation of a Material Balance Only and Material Balance with Real-Time In-line Monitoring Approaches for DFLAW Processing

The Assistant Manager, WTP chartered an Integrated Technical Team (ITT), which includes personnel from the Savannah River National Laboratory (SRNL), Pacific Northwest National Laboratory (PNNL), from the Savannah River National Laboratory (SRNL), Pacific Northwest National Laboratory (PNNL), Bechtel National, Inc., and DOE-ORP, to evaluate the capability and potential benefits of replacing sample collection/analyses requirements with real-time, in-line monitoring. The initial focus of the ITT is the Direct Feed Low Activity Waste (DFLAW) Program. This work scope is being performed in multiple phases. The Phase 2 work scope contains tasks to evaluate a materials balance only approach as well as continuing scoping evaluations for instruments that could be used for Real-Time In-Line Monitoring (RTIM). The Phase 2 work scope for evaluation of a materials balance approach was completed by both SRNL and PNNL and is documented in this report. The material balance evaluation included a review of the WTP Low Activity Waste (LAW) vitrification process as well as the WTP Effluent Management Facility (EMF) process. Sampling requirements and unit operations were reviewed to determine which sample requirements could be met with a material balance without significantly increasing processing or reporting uncertainties.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2019

U.S. Industry Opportunities for Advanced Nuclear Technology Development

The Statement of Work (SOW) for this activity involved three main tasks. (1) Carry out an international survey to construct a comprehensive list of safety related experimental programs that have been and are important contributors to the safety assessments for nuclear installations. Furthermore, this survey also served to collect the views of many scientists and engineers, who have been in nuclear safety for many decades, regarding the experimental programs for which there is the most immediate need to archive the experimental data. (2) Perform a search for possible sources (libraries, experimental data bases, etc.) that may contain relevant information for one, or more of the three important, and expensive experiments initially identified as key experimental information to be preserved (LOFT, Marviken, HDR). The information gathered includes experimental test reports, peer reviewed technical papers, articles prepared for technical meetings that were not peer reviewed and papers that were written for specialist meetings but which did not have a peer review, all of which help to provide insights on the experiments of interest. (3) Provide a demonstration of how the archival status of three of the most important experimental programs can be characterized and archived for the different levels of experimental documentation that might be found for each of the three experimental programs selected for the demonstration.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2021

Home Energy Professionals Certifications ISO/IEC 17024: 2021 Policies and Procedures Manual

The U.S. Department of Energy (DOE) enlisted its National Renewable Energy Laboratory (NREL) to coordinate the development of a framework for new certifications in the weatherization and home performance industry. The Home Energy Professional certifications support DOE's Weatherization Assistance Program (WAP) and the broader residential home performance industry through the credentialing process of defined job task analysis for energy auditors and quality control inspectors. The HEP certifications are not intended to supplant or infringe upon any existing industry-recognized credentials, however, the WAP and the home performance industry have utilized the advanced HEP certifications to promote quality work and standardized job task analysis since 2010. On an ongoing basis, NREL brings industry practitioners and subject matter experts together to develop, review, and revise the certification schemes in accordance with the International Organization for Standardization (ISO)/International Electrotechnical Commission (IEC) 17024 standard, "Conformity assessment - General requirements for bodies operating certification of persons" (ISO/IEC 17024). This handbook covers the policies and procedures for the process of developing, maintaining, and validating the certification schemes. Each policy and procedure includes the relevant ISO/IEC 17024 section at the beginning.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2022

IACMI Project 4.10: Blade Finishing Automation (Final Report)

IACMI Project 4.10, the Innovative Wind Turbine Blade Finishing with Advanced Automated Technology project, performed research addressing the challenges and opportunities associated with automating wind turbine blade finishing operations, including blade trimming and grinding. These activities, developed and conducted in close cooperation with wind industry partners, included: • The development of new automation technology and systems; • The integration of automation technology and components; • The improvements of sensor technology and their deployment in automation systems • The elimination of extensive manual programing for the automation of wind blade finishing; • The rethinking of the approach to specific work tasks for automation systems; • The demonstration at scale of innovative wind turbine blade finishing automations systems. The IACMI Wind TA team worked with GE Renewable Energy and LM Wind Power to establish the metrics of the automated blade finishing system developed in the project. In addition, the project team helped to integrate the advanced automated systems into wind turbine blade production facilities. This project was divided into two phases. Phase I provided project management, preliminary techno-economic model development, early US wind turbine industry outreach, and early research into robotic solutions for automated wind blade finishing. This second phase continued with project management, as well as final techno-economic model development, advanced research into robotic solutions for automated wind blade finishing, as well as specifications and procurement of a robotic system for automated wind blade finishing. The 4.10 project leveraged the capabilities and facilities established through the Institute for Advanced Composites Manufacturing Innovation (IACMI), the Colorado Office of Economic Development and International Trade (OEDIT) and the National Renewable Energy Laboratory (NREL). The IACMI Wind Technology Area (TA) designed and prepared for deployment a robotic automated wind turbine blade finishing system at the NREL/IACMI Composites Manufacturing Education and Technology (CoMET) facility. The results of this project led to follow-on funding to build upon and expand research in automated wind turbine blade finishing.

17 WIND ENERGY↗