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DOE OSTI2014

High Performance Computing Modeling Advances Accelerator Science for High-Energy Physics

The development and optimization of particle accelerators are essential for advancing our understanding of the properties of matter, energy, space, and time. Particle accelerators are complex devices whose behavior involves many physical effects on multiple scales. Therefore, advanced computational tools utilizing high-performance computing are essential for accurately modeling them. In the past decade, the US Department of Energy's SciDAC program has produced accelerator-modeling tools that have been employed to tackle some of the most difficult accelerator science problems. The authors discuss the Synergia framework and its applications to high-intensity particle accelerator physics. Synergia is an accelerator simulation package capable of handling the entire spectrum of beam dynamics simulations. Our authors present Synergia's design principles and its performance on HPC platforms.

43 PARTICLE ACCELERATORS↗

DOE OSTI2017

Special Issue on Data-Intensive Scalable Computing Systems

Traditional high performance computing (HPC) systems were designed from a compute-centric perspective, with an emphasis on high floating point performance. As scientific and analytics applications become more data intensive, there is a need to rethink HPC system architectures, programming models, runtime systems, and tools with a focus on scalable data intensive computing. Industry approaches supporting data intensive applications have been highly successful, leading many in the HPC community to search for ways to adapt them to HPC hardware and software contexts. Conversely, industry looks to the HPC community for their expertise in designing, deploying, and using extremely large and high performance computing systems. This special issue contains seven articles, each of which is an extended version of a paper presented in the 2015 International Workshop on Data Intensive Scalable Computing Systems (DISCS-2015) held in Austin, Texas on November 15, 2015. The workshop program included papers that ranged from programming models to systems software to storage, each with a strong focus on data intensive computing.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2019

AN APPROACH TO BRINGING AUTOMATED FAULT DETECTION AND DIAGNOSIS (AFDD) TOOLS FOR HVAC&R INTO THE MAINSTREAM

Heating, ventilation and air-conditioning (HVAC) systems can consume over 5 quads of energy annually, representing 30% of energy consumption in the U.S. in commercial buildings. Additionally, commercial refrigeration (R) systems add about 2 quads to commercial buildings energy consumption. Most HVAC systems have one or more faults (low/high refrigerant charge, valve leakage, condenser/evaporator fouling, filter/dryer restriction, economizer faults, controls faults) that result in increased energy consumption. Automated fault detection and diagnosis (AFDD) tools have been developed to address this national issue and many tools are commercially available. AFDD tools have the potential to save considerable energy for existing commercial RTUs, chillers and refrigeration systems. These devices can be used for both retro commissioning, and, when faults are addressed, continuous commissioning as well. However, there appears to be multiple market barriers for this technology. A key market barrier for this technology is the lack of awareness of AFDD products among potential customers. Most HVAC contractors are not familiar with the latest AFDD technologies and HVAC technicians lack skills regarding these technologies. Quantifying potential benefits to building owners is difficult since there are several FDD tools with varying capabilities. For instance, there are several FDD products ranging from handling just economizer faults to those that also handle full-blown refrigerant-side and air-side faults. Methods/algorithms used in FDD vary significantly. Even though there are efforts to develop standards, currently there are no standards/methods to define functions, capabilities, accuracy, and reliability of FDD tools. Moreover, most of the commercial AFDD tools have not been verified in the field independently. This paper presents a comprehensive approach to bringing HVAC AFDD tools into the mainstream. The approach involves demonstrating ten commercially available tools at ten different sites, independent testing and evaluation of the FDD tools, communication with various stakeholders, identifying market barriers, and assisting utility companies in developing incentive programs. This paper presents selection of AFDD tools, ite identification, and field testing and evaluation method.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2025

Single Primary Heat Extraction and Removal Emulator (SPHERE) Long Duration Testing

For the development of heat-pipe cooled microreactors, it is crucial to thoroughly understand the characteristics and functioning of heat pipes across a wide spectrum of operating conditions. Passive heat removal and its long-term performance stability are critical factors in this context. Enhanced experimental data is vital for evaluating the operational lifespan of alkali metal heat pipes. Idaho National Laboratory (INL) has successfully conducted an extended duration test on a high-performance sodium-filled heat pipe, closely monitoring the axial temperature profile, power supplied by the heaters, and heat removed by a gas-gap calorimeter. The results from this testing provide valuable data that are instrumental in supporting heat pipe validation efforts. Specifically, this data aids in the development and validation of Sockeye, the Multiphysics Object-Oriented Simulation Environment (MOOSE) tool under the US-DOE NEAMS program designed for heat pipe modeling. By comparing experimental results with Sockeye’s predictions, the tool's accuracy and reliability can be assessed and improved, thereby enhancing its capability to simulate heat pipe operations under various conditions.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2018

Making Commercial Whole Building Program Delivery Easier and Less Risky Greg Thomas, Performance Systems Development

Whole building commercial programs can be challenging to deliver due to their complexity and scope. A broad suite of Federal tools and reference standards can be leveraged to reduce program cost and risk, and improve scalability. The OpenEfficiency Initiative (OEI) is a DoE funded effort to expand the deployment of Federal tools and reference standards into whole building commercial efficiency programs. OEI is developing an open source data exchange platform which is being informed and motivated by pilots.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2014

TU-C-17A-03: An Integrated Contour Evaluation Software Tool Using Supervised Pattern Recognition for Radiotherapy

Purpose: Radiotherapy (RT) contours delineated either manually or semiautomatically require verification before clinical usage. Manual evaluation is very time consuming. A new integrated software tool using supervised pattern contour recognition was thus developed to facilitate this process. Methods: The contouring tool was developed using an object-oriented programming language C# and application programming interfaces, e.g. visualization toolkit (VTK). The C# language served as the tool design basis. The Accord.Net scientific computing libraries were utilized for the required statistical data processing and pattern recognition, while the VTK was used to build and render 3-D mesh models from critical RT structures in real-time and 360° visualization. Principal component analysis (PCA) was used for system self-updating geometry variations of normal structures based on physician-approved RT contours as a training dataset. The inhouse design of supervised PCA-based contour recognition method was used for automatically evaluating contour normality/abnormality. The function for reporting the contour evaluation results was implemented by using C# and Windows Form Designer. Results: The software input was RT simulation images and RT structures from commercial clinical treatment planning systems. Several abilities were demonstrated: automatic assessment of RT contours, file loading/saving of various modality medical images and RT contours, and generation/visualization of 3-D images and anatomical models. Moreover, it supported the 360° rendering of the RT structures in a multi-slice view, which allows physicians to visually check and edit abnormally contoured structures. Conclusion: This new software integrates the supervised learning framework with image processing and graphical visualization modules for RT contour verification. This tool has great potential for facilitating treatment planning with the assistance of an automatic contour evaluation module in avoiding unnecessary manual verification for physicians/dosimetrists. In addition, its nature as a compact and stand-alone tool allows for future extensibility to include additional functions for physicians’ clinical needs.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2022

Low-Cost Preform and Molding Processes

The entry cost for prototyping a composite component for manufacture using automated, high rate processes is prohibitively expensive in many cases, especially for small business, where tooling costs may be several $100k. Discussions with industry also indicate that many small companies, tier 1 and 2 suppliers, have an interest to mold composite parts but do not want to deal with the capital cost, material handling issues, and labor associated with dry fiber preforming operations. While the molders may locate near the end user for logistics reasons, it may be more cost effective for the performer to remain regional and invest in capital equipment to support preform automation, thus keeping costs to a minimum. This project was designed to explore and demonstrate several options to meet these industry needs. Dry fiber preforming approaches were evaluated which allow for low pressure resin infusion, single sided tooling options such a vacuum assisted resin transfer molding (VARTM) or low pressure resin transfer molding (RTM-light). Unlike sheet molding compound, SMC compression molding where typical molding pressures of 1000 psi are required to push material into the desired location; positioning of a dry fiber preform into the desired location on the tool allows for low molding pressures of 10-50 psi. Lower molding pressures allow for use of low cost, additive fabrication of polymeric tooling. Polymeric tooling is suitable for rapid part prototyping and limited production. Dry fiber preforming approaches evaluated included use of commercial chopped strand mat, robotic chopper gun deposition, and continuous fiber preform augmentation using tailored fiber placement (TFP). Use of chopped strand mat does not require a robotic deposition method, however a cutting table is generally required and there is typically 20-30% scrap generation. While various fiber areal weights are available, the preform is not readily optimized for minimal fiber use or weight savings. In contrast, a robotic chopper gun approach allows for localized deposition where fiber is required to meet structural requirements. The robotic method is highly automated and minimizes fiber scrap, however the capital cost of the equipment and engineering labor for programming can result in higher preform cost compared to chopped strand mat in certain cases depending on preform complexity. Dry fiber preforming using the robotic chopper gun method allows for creation of three dimensional forms. This approach may be ideal for molding in-house, or if the preforms stack together densely to allow for efficient shipping. Applications evaluated for this program considered trade-off between fabrication of a fully 3D preform versus production of a flat preform which is designed to readily drape into the final desired shape. Such a preform design greatly simplifies robotic programming and requires no specialized tooling. The flat preforms are easily stacked and shipped to the final molding location. Flat preforms are much easier to augment with TFP continuous fiber to provide local reinforcement. The demonstration and evaluation of these preforming and tooling methods were completed on three component applications. The first application was a battery box cover for an electric vehicle which was highly three dimensional. The second demonstrator article was comprised of complex contours and was used to demonstrate the use of TFP and RTM-light molding process. The third demonstration article was the roof of an operator’s cab for large construction equipment. The roof is relatively flat however it is comprised of complex changes in thickness which clearly demonstrate the advantage of robotic chopper gun approach as compared to using numerous preform layers of chopped strand mat. The cost trades for the various preforming methods are summarized to help guide the reader as to preforming method considerations. Finally, these demonstrations all used glass fiber roving. A fourth, exploratory task was added to evaluate the ability to make preforms using Zoltek’s carbon fiber split tow roving. We were able to adapt the chopper gun to make flat preforms for laminate testing, but further development effort would be required to make suitable preforms.

36 MATERIALS SCIENCE↗

DOE OSTI2019

Simulation of Thermal Spectrum MSR using PROTEUS

In recent years, there has been renewed interest in Molten Salter Reactors (MSRs) for their potential advantages compared to reactors that rely on solid fuel. Given the current interest for MSRs, it is a good opportunity to demonstrate that the advanced tools developed in the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program are useful for modeling MSRs. In addition, one objective of the program is to develop modeling and simulation capabilities to predict the performance and safety of all types of advanced nuclear reactor. For this study, PROTEUS [1], the primary reactor physics tool within the program, was assessed and used to model one of the preliminary core designs provided by ThorCon, one of the leading MSR companies from industry. The focus of this first step in the modeling and simulation work is to predict the core design’s steady state performance.

Fei, T.↗

DOE OSTI2021

ESPC ESA Webinar Series: ESPC IDIQ Contract Vehicle Overview

This webinar provides instructions and resources for financing distributed energy projects (e.g. on-site renewable energy, storage, and combined heat and power) using an energy savings performance contract (ESPC) energy sales agreement (ESA) through the U.S. Department of Energy (DOE) indefinite-delivery, indefinite-quantity (IDIQ) energy savings performance contract (ESPC) vehicle. The DOE IDIQ ESPC contract vehicle uses a streamlined master contract that allows federal agencies to work with 21 energy service companies holding the current DOE IDIQ ESPC. Topics covered in the webinar include: An overview of the DOE IDIQ contract vehicle; ESA-specific considerations for IDIQ contracts; and Specific use cases. The webinar also provides an overview of the resources available on the Federal Energy Management Program website, such as IDIQ tools and templates. This webinar is the fifth in a series that provides information, best practices, and resources for implementing an ESPC ESA project. ESPC ESAs are a great option for federal sites that are motivated to reduce site costs, have no capital investment funding, and cannot use the U.S. Department of Defense 10 USC 2922a authority for long-term contracting.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Thermal Hydraulics Validation Activities in the ART-GCR Campaign

The Advanced Reactor Technologies - Gas Cooled Reactor Campaign (ART-GCR) is part of the United States Department of Energy - Office of Nuclear Energy's Advanced Reactor Technologies program aimed at developing a High Temperature Gas-cooled Reactor (HTGR) which will offer enhancements in safety and efficiency. The Design, Methods, and Validation arm of the ART-GCR program provides experience and advanced tools for HTGR design and analysis. The Methods and Validation arm is developing data to validate predictions of decay heat removal through an extensive experimental campaign the Natural Convection Shutdown Heat Removal Test Facility at Argonne National Laboratory. In-core thermal hydraulics validation is being facilitated through the OECD/NEA's Thermal Hydraulic Code Validation Benchmark for High Temperature Gas-Cooled Reactors using HTTF Data. That benchmark contains code-to-code and code-to-data comparisons for 3 sets of HTGR thermal hydraulics phenomena. This ongoing benchmark activity has 16 participants from 9 countries developing leading insights into HTGR thermal hydraulics code validation. The ART-GCR campaign is also working on the development of state-of-the-art MOOSE-based models of the High Temperature Engineering Test Reactor (HTTR). Through the OECD/NEA's HTTR Loss of Forced Cooling (LOFC) program, the ART-GCR campaign is developing a multiphysics transient code validation benchmark based on 3 HTTR experiments that will provide an opportunity for international collaboration on multiphysics code validation.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2012

A Tool to Prioritize Energy Efficiency Investments

To provide analytic support of the U.S. Department of Energy's Office of the Building Technology Program (BTP), NREL developed a Microsoft Excel-based tool to provide an open and objective comparison of the hundreds of investment opportunities available to BTP. This tool uses established methodologies to evaluate the energy savings and cost of those savings.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2020

Status of the NEAMS and ARC neutronic fast reactor tools integration to the NEAMS Workbench

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

Status of the NEAMS and ARC fast reactor tools integration to the NEAMS Workbench

The Workbench initiative was launched in FY-2017 within the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program to facilitate the transition from conventional tools to high-fidelity tools. The NEAMS Workbench provides a common user interface for model creation, real-time validation, execution, output processing, and visualization for integrated codes. The integration of the Argonne Reactor Computation (ARC) suite of codes into the NEAMS Workbench through the PyARC module was initiated in FY-2017. The ARC codes, which focus on fast reactor multiphysics analysis, contain both legacy codes like DIF3D and REBUS-3 that were developed with over 30 years of experience, and newer NEAMS additions like MC 2 -3, PERSENT, and PROTEUS. Recent work expended this integration to other tools to support the U.S. fast reactor community such as DASSH for sub-channel thermal-hydraulics, Griffin for high-fidelity deterministic transport calculations, and OpenMC for Monte Carlo simulations (with Shift integration planned for FY-2023). The integration of the “extended ARC” suite of codes into the NEAMS Workbench interface relies on the PyARC and PyGriffin modules to handles the pre- and post-processing of these codes input, and the runtime environment. The PyARC module together with the NEAMS Workbench interface are both released under Open Source Software licenses.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2022

Energy Emergency and Preparedness Data: Frequently Asked Questions (FAQs) and Quick Guidance on Crisis Communications

State Energy Offices and Public Utility Commissions rely on timely, accurate, and actionable information to perform their energy emergency response duties and execute their roles as state energy security planners. In support of this need, the National Association of State Energy Officials (NASEO) and the National Association of Regulatory Utility Commissions (NARUC) hosted an Energy Security and Data Analysis Workshop in Washington, DC to identify energy security response and planning data sources; and to share successful methods of data use and integration in state, federal, and private sector tools. Following the workshop, NASEO and NARUC hosted two topical data-centric webinars based on state priorities to identify best practices in Geographic Information Systems (GIS) and Crisis Communications programs leveraged in energy assurance planning and response. The Crisis Communications webinar covered best practice tactics for how states can respond during energy emergencies and other crises. Based on the workshop and webinars, this document summarizes commonly used data sources and includes frequently asked questions which may be used by state energy officials (i.e., consisting of staff from Public Utility Commissions and Governor-designated State Energy Offices) to help guide them in developing or improving their Crisis Communications capabilities. A strong public information program is a key crisis management tool. Timely and accurate information helps prevent confusion and uncertainty and encourages public support and cooperation. As energy subject matter experts, state energy officials are vital in the distilling, clarifying, and conveying energy sector information and implications to decision-makers and the public. Other participants in an effective public information program include the Governor’s Office, other state agencies, local governments, energy providers, local businesses, state legislature, and the federal government. It is essential to provide stakeholders and the public with information about the nature, severity, and duration of an emergency because inadequate understanding and awareness can lead to undesirable actions that could further exacerbate the situation. Before a state government can provide information to the public, it must gather information, describe the emergency accurately, and develop recommendations to manage the situation.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2022

ATHENA: Analytical Tool for Heterogeneous Neuromorphic Architectures

The ASC program seeks to use machine learning to improve efficiencies in its stockpile stewardship mission. Moreover, there is a growing market for technologies dedicated to accelerating AI workloads. Many of these emerging architectures promise to provide savings in energy efficiency, area, and latency when compared to traditional CPUs for these types of applications — neuromorphic analog and digital technologies provide both low-power and configurable acceleration of challenging artificial intelligence (AI) algorithms. If designed into a heterogeneous system with other accelerators and conventional compute nodes, these technologies have the potential to augment the capabilities of traditional High Performance Computing (HPC) platforms [5]. This expanded computation space requires not only a new approach to physics simulation, but the ability to evaluate and analyze next-generation architectures specialized for AI/ML workloads in both traditional HPC and embedded ND applications. Developing this capability will enable ASC to understand how this hardware performs in both HPC and ND environments, improve our ability to port our applications, guide the development of computing hardware, and inform vendor interactions, leading them toward solutions that address ASC’s unique requirements.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Low-Income Energy Affordability Data (LEAD) Tool

The Low-income Energy Affordability Data (LEAD) tool was created to provide data, such as energy burden, to stakeholders to make data driven decisions. The LEAD Tool provides a starting point for local governments, NGOs, companies, etc. to find areas with higher energy burden and cost to inform decisions about funding distribution and program qualifications. This presentation was given to energy efficiency and conservation block grant program applicants to explain how this tool can help them develop their energy efficiency and conservation strategy.

ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2024

Infrastructure improvements in the National Reactor Innovation Center Virtual Test Bed

The National Reactor Innovation Center’s (NRIC) mission is to support deployment of novel reactor concepts. This is achieved by providing physical and virtual spaces for building and testing various components, systems, and complete pilot plants. The Virtual Test Bed (VTB) represents the virtual counterpart to the physical test bed. The VTB is being developed in collaboration with the Department of Energy’s (DOE) Nuclear Energy Advanced Modeling and Simulation (NEAMS) program. The mission of the VTB is to accelerate the deployment and licensing of advanced reactors by leveraging state-of-the-art modeling and simulation (M&S) tools developed by the DOE NEAMS program. This is accomplished via three primary means: (1) openly hosting simulations that showcase analysis capabilities, (2) continuously testing the models hosted against code updates to avoid deprecation, and (3) filling key M&S gaps that are relevant for the physical NRIC test beds. The VTB repository consists of two sub-entities: • A documentation website detailing the models: https://mooseframework.inl.gov/virtual_test_bed • A GitHub repository that hosts the corresponding files: https://github.com/idaholab/virtual_test_bed. This paper presents the infrastructure added to the VTB in the last two fiscal years. Additional information about the VTB can be found in various publications [1, 2, 3, 4, 5, 6, 7, 8].

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2024

Status of New Models Hosted on the Virtual Test Bed (VTB) in 2024

The National Reactor Innovation Center (NRIC) mission is to support deployment of novel reactor concepts. This is achieved by providing physical and virtual spaces for building and testing various components, systems, and complete pilot plants. The Virtual Test Bed (VTB) represents the virtual counterpart to the physical test bed. It is in development in collaboration with the Department of Energy’s (DOE) Nuclear Energy Advanced Modeling and Simulation (NEAMS) program. The mission of the VTB is to accelerate the deployment and licensing of advanced reactors by leveraging state-of-the-art modeling and simulation (M&S) tools developed by the DOE NEAMS program. This is accomplished by three primary means: (1) openly hosting simulations that showcase analysis capabilities, (2) continuously testing the models hosted against code updates to avoid deprecation, and (3) filling key M&S gaps that are relevant for the physical NRIC test beds. The VTB repository consists of two sub-entities: 1. A documentation website detailing the models (https://mooseframework.inl.gov/virtual_test_bed). 2. A GitHub repository that hosts the corresponding files (https://github.com/idaholab/virtual_test_bed). Previous documentation on the models hosted in the VTB can be found in [1,2,3,4]. These references also include additional background information on the various NEAMS codes showcased in the VTB (which is omitted here for brevity). This paper primarily provides a status update of the most recent additions to the repository.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗