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DOE OSTI2022

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↗

DOE OSTI2022

Integration of Wireless Sensor Networks and Battery-free RFID for Advanced Reactors

To address an important need for Nuclear Power Plants (NPPs) to significantly reduce the amount of the required cables for sensor data communications, this Phase I SBIR effort successfully developed and demonstrated a novel low-cost proof-of-concept prototype of a secure wireless sensor network backbone communications system. This system combines commercially available low power, low cost XBEE wireless communications network and passive (battery-free) Radio Frequency Identification (RFID) systems to report individual sensor data and their location through the containment wall for rapid response to anomalies in nuclear facilities. This WIreless Sensing and Locating (WISLO) system network architecture allows non-intrusive wireless collection of sensor data with the sensor’s accurate location information from inside of the instrumentation or containment area with minimal need for power sources. The multi-node sensor data in the containment area is wirelessly transmitted to outside through the metal reinforced concrete walls without the need for any batteries. The WISLO system could be readily used in current reactor fleet and future advanced reactors, as well as in small modular reactors (SMR). The WISLO system is the first dual frequency battery-free trough the wall communications backbone system developed specifically for use in nuclear power plants. It not only can modernize the sensor monitoring practices in the existing reactor fleet, but also offers a secure, low-cost solution to advanced reactors and SMRs by removing cables and issues related to them such as cable integrity, reporting delays, and installation and maintenance costs. The intent is to improve process safety, reliability, efficiency, and cost effectiveness to the monitoring and maintenance process in current and future plants. As we address the next productization and manufacturing capabilities in the next phase, this system will serve the needs of many commercial and government applications in remote monitoring of sensor data that demand battery-free transmission of sensor data such as Internet-of-Things (IOT).

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2022

Transportation Energy Data Book (Edition 40)

The Transportation Energy Data Book: Edition 40 is a statistical compendium prepared and published by Oak Ridge National Laboratory (ORNL) under contract with the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Office. Designed for use as a desk-top reference, the Data Book represents an assembly and display of statistics and information that characterize transportation activity and presents data on other factors that influence transportation energy use. The purpose of this document is to present relevant statistical data in the form of tables and graphs. The latest edition of the Data Book is available via the Internet (tedb.ornl.gov).This edition of the Data Book has 13 chapters which focus on various aspects of the transportation industry. Chapter 1 focuses on petroleum; Chapter 2 – energy; Chapter 3 – highway vehicles; Chapter 4 – light vehicles; Chapter 5 – heavy vehicles; Chapter 6 – alternative fuel vehicles; Chapter 7 – transit and other shared mobility; Chapter 8 – fleet vehicles; Chapter 9 – household vehicles; Chapter 10 – nonhighway modes; Chapter 11 – transportation and the economy; Chapter 12 – greenhouse gas emissions; and Chapter 13 – criteria pollutant emissions. The sources used represent the latest available data. There are also two appendices which include detailed source information for some tables and measures of conversion. A glossary of terms is also included for the reader’s convenience.

02 PETROLEUM↗

DOE OSTI2022

Safeguards by Design Projects (Final Report-FY-22)

This University Engagement project challenged engineering students at universities, that do not have Bachelor degree programs in nuclear engineering but do have research reactors and some nuclear engineering coursework, to incorporate Safeguards by Design concepts into their Senior Capstone Design Project. This University Engagement project was part of the U. S. Department of Energy’s (DOE) National Nuclear Security Administration (NNSA), Office of Defense Nuclear Nonproliferation, Office of International Nuclear Safeguards, Next Generation Safeguards Initiative (NGSI), Human Capital Development (HCD): University Engagement Program. This program exposed university students with Mechanical Engineering majors and Nuclear Engineering minors to the concepts of international nuclear safeguards. In FY22, three teams at the University of Rhode Island and two teams at the University of Texas - Austin participated in researching, designing, building, and testing projects to support international nuclear safeguards measurements or verification. The projects involved engaging in activities at the university’s research reactors. All the projects engaged students with prototyping a design and/or tool for application at the Universities’ reactor. At the end of the course, most of the students expressed the experience was positive and they learned more about international nuclear safeguards and applying requirements than they had previously encountered. This school year the projects were further complicated by the COVID-19 pandemic. Both universities had limited in classes on campus, still relying on Zoom classes, and limited direct student/professor interactions. Furthermore, Los Alamos National Laboratory (LANL) greatly restricted travel, therefore making it impossible to visit the students at the end of the semester for the review of their design projects. The final design and review meeting for the projects happened via meetings over the internet. Additionally, the teams did build and test some prototypes but could only do so in a limited capacity.

42 ENGINEERING↗

DOE OSTI2022

CRADA Number NFE-18-07342 with Lux Semiconductors, LLC (CRADA Final Report)

Lux Semiconductors is a flexible microelectronics startup developing a new class of Systemon-Foil electronics for rapidly emerging Internet-of-Things (IoT) markets. By leveraging its patent pending breakthrough in thin-film recrystallization, Lux is able to produce highly crystalline and flexible silicon substrates on a thin metal backing. This novel platform allows for high-speed silicon circuitry to be patterned directly into the substrate alongside low-cost printed electronics. The System-on-Foil approach has potential to enable the fabrication and integration of all core IoT functionality, including microprocessors, sensors, antennas, interconnects, and power supplies, required to enable highly durable, low profile, flexible electronics.

42 ENGINEERING↗

DOE OSTI2022

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

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

Survey of the Worldwide Supply Chain of Commodities Needed for a Quantum Technology Program

Quantum Information Science (QIS) is an emerging technology being pursued by fundamental science research groups worldwide, as well as commercial companies and government programs. There are a variety of QIS disciplines, including quantum computing, quantum sensing and quantum encryption. Some of the commodities needed for a robust quantum laboratory are particular to quantum phenomenon, but in general the equipment needed is similar to that needed for a typical high - technology lab (e.g. oscilloscopes, lasers, vacuum chambers, etc.). This study focuses on identifying commodities manufactured worldwide that would be needed for a robust quantum lab. The authors' own knowledge of needed equipment and primary vendors was used as a starting point, follow ed by extensive internet searching and utilization of buyer's guides to create a large spreadsheet of most of the components needed, the company offering the components, and country of manufacture. With this extensive spreadsheet, stakeholders can identify commodities that would be needed for a quantum lab oratory and potentially identify market choke points.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2022

Demonstration and Evaluation of a Non-Invasive, Low-Cost, Strap-On Sensor for Natural Gas Meters

The U.S. General Services Administration (GSA) is interested in installing internet-connected, gas submeters to better understand gas consumption in its portfolio of buildings. The GSA in partnership with the National Renewable Energy Laboratory conducted a demonstration to assess a specific submeter technology. This technology was implemented at two GSA separate facilities located in Dallas, Texas. This demonstration evaluated hardware and software installations and integrations, data integrity and accuracy, and included an economic analysis. This demonstration evaluated a gas submeter technology provided by the vendor Vata Verks, who produces a non-invasive strap-on submeter. The company was founded with a mission to conserve water (and eventually gas) cheaply and simply, as explained on its website. The product intends to streamline submeter deployments for gas and water by eliminating most hardware costs while allowing for easy integration of submetered data into other systems such as the Building Automation System and removing tenant and building disruption This demonstration evaluated the product features when used on a gas utility meter.

03 NATURAL GAS↗

DOE OSTI2022

Roadmap to Automated Mobility Systems: Informing the Planning of a Sustainable, Resilient Transportation Ecosystem for Dallas/Fort Worth International Airport

The National Renewable Energy Laboratory (NREL) developed this report to provide Dallas/Fort Worth International Airport (DFW) assistance toward a vision that considers the maturation and proliferation of mobility automation, electrification, and infrastructure integrated with Internet of Things (IoT) technologies as they present themselves on the path to 2035. In planning ongoing infrastructure investments, DFW has goals to accommodate and leverage these enabling technologies toward greater sustainability and enhanced traveler and employee experiences, ensuring that infrastructure investments are fully utilized into the future. The objective of this document is to assist DFW to anticipate and envision future airport access by travelers, employees, and goods by examining existing needs and exploring opportunities enabled by technology that informs longer-term infrastructure planning. The vast infrastructure of DFW, which includes buildings, roadways, and other physical structures, as well as growing digital and energy network infrastructures, requires long-term planning and strategy to fully leverage technology advancement and avoid abandoning assets due to functional obsolescence.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2023

LDRD 2022 Annual Report: Laboratory Directed Research and Development Program Activities

Each year, Brookhaven National Laboratory (BNL) is required to provide a report of its completed Laboratory Directed Research and Development Program (LDRD) projects to the Department of Energy (DOE) Office of Scientific and Technical Information in accordance with DOE Order 413.2C Chg1 (MinChg) dated August 2, 2018. This report provides a detailed look at the scientific and technical activities for each of the LDRD projects funded by BNL in FY 2022, in fulfillment of that requirement. In FY 2022, the BNL LDRD Program funded 70 projects, 30 of which were new starts, at a total cost of $17.2M. The investments that BNL makes in its LDRD program support the Laboratory’s strategic goals. BNL has identified seven scientific initiatives that define the Laboratory’s scientific future and that will enable it to realize its overall vision. This requires simultaneous excellence in all aspects of BNL’s work – from science and operations, to external partnerships with the local, state, and national communities, and beyond. This is enabled by safe, efficient, and secure operations; by an unwavering commitment to a diverse, equitable, and inclusive environment, including workforce development, both with staff and reaching out to the community; and by a strong focus on renewed infrastructure. The seven scientific initiatives are: 1) Nuclear Physics: uncover the structure of visible matter by constructing and operating the Electron-Ion Collider at BNL to maintain international leadership in nuclear physics for decades; 2) Clean Energy and Climate: support a net-zero U.S. economy through fundamental research in basic energy and climate sciences to revolutionize grid-scale storage, renewable integration, and the study of atmospheric processes with a new facility to improve climate predictability; 3) Quantum Information Science and Technology: discover new quantum materials to enhance quantum computers and develop an entanglement sharing quantum network as a prototype for the first quantum internet; 4) Discovery Science Driven by the Human-AI Facility Integration: revolutionize the operation of experiments across the sciences at user facilities and in core programs; 5) High Energy Physics: understand the origin of space and time with the ATLAS high luminosity upgrade at CERN and the future Long Baseline Neutrino Facility/Deep Underground Neutrino Experiment; 6) Isotope Production: accelerate and expand isotope production to ensure the security of the Nation’s supply; 7) Accelerator Science and Technology: harness the cross-cutting accelerator science expertise at BNL to develop new facilities, improve and expand its user facilities, and promote the use of accelerators in industry. The funded projects support BNL’s seven scientific initiatives and priority programs as well as new areas of research and competencies at the Laboratory that are consistent with the Laboratory’s vision and mission. In total, these LDRD investments supported 43 postdoctoral researchers in whole or in part and resulted in 138 publications and 7 awards. This Program Activities Report represents the future of BNL science; it is an impressive body of exploratory work that investigates many scientific and technical directions in support of the DOE and BNL missions.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2023

Digital Twin for Hydropower System Object Modeling: Alder Dam (FY2023)

Hydropower is the world's largest source of renewable electricity, and hydropower plants are distributed all over the world. Typical major components of a hydropower plant are the governor, excitation, generator, thrust bearing, hydraulic turbine, transformer, the main lead, metering and control, tailwater depression, and dissolved oxygen. For each component, various measures are taken. The measurements are acquired by various heterogeneous systems, including standalone sensors, programmable logic controllers (PLC), Supervisory control and data acquisition (SCADA), Internet of Things (IoT), and data acquisition and integration platforms such as OSI/PI. The measured data are often archived within the plant by a data management platform, and many institutions have cloud-based archive systems, such as Hydropower Research Institution (HRI), U.S. Army Corps of Engineers (USACE), and Columbia River Data Access in Real Time (DART). Object Modeling is a general framework for designing information systems. It focuses on objects, the actions they perform, and the messages they send to one another to cause those actions to be taken. The major differences among object modeling, network modeling, data modeling, and process modeling are that in the first we focus on the actions in response to information, objects which form the system, the actions they perform, and how they pass information to one another, while in the second we concentrate on where, when and how much information is moved, while in the third we focus on what information is moved and where it is moved, while in the last we focus on how it is moved and when it is moved. Object modeling was developed basically as a method to develop object-oriented systems and to support object-oriented programming. It describes the static structure of the system. The object Modeling Technique is easy to draw and use. That is why we choose object modeling to connect physical hydropower plants to Digital Twin. It recognizes the objects and the relationship between them. It identifies the attributes and functions of each class. Dynamic Modeling: It explains how objects respond to events. Functional Modeling indicates the processes executed in an object and how data changes when it moves to objects. It has been used in many applications like telecommunication, transportation, etc.

13 HYDRO ENERGY↗

DOE OSTI2011

Electrical Power Engineering Academic Landscape (November 2011)

University Outreach Initiative Overview The GridWise ® Architecture Council (GWAC) is a team of experts with diverse, relevant industry backgrounds that has documented the guiding principles for the architecture and interoperability of a future, intelligent, transactive, energy system. One of GWAC’s goals includes sharing information about their work broadly with industry and other communities that have a need to understand smart grid architecture and interoperability. The concept of a University Outreach Initiative was developed in the spring of 2011 as a set of market research and outreach activities. These activities were developed to identify opportunities for the dissemination of information about GWAC to academic and workforce development communities. Grant recipients of the Smart Grid Workforce Training Program, funded through the American Recovery and Reinvestment Act (ARRA), were identified as initial outreach recipients. This community consists of academic and workforce program managers involved in the development of electrical power engineering or other closely related smart grid technology and business programs at two and four-year institutions, via private sector curriculum development companies, and governmental or collaborate workforce development agencies. The Outreach Initiative started with the development of the Landscape Database and Contact Directory. These documents provide descriptive project and contact information for the Smart Grid Workforce Training Program recipients. Contact information was gathered through telephone calls and Internet research. Contacts identified by telephone were introduced in conversation to the project and were asked if they wished to participate. Their knowledge of GWAC was assessed. Contacts we could not reach by phone received introductory emails explaining the Outreach Initiative and providing links to important GWAC documents for background. A survey to identify contact interest in the initiative was circulated to all contacts several weeks later.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2022

Connected Loads – Grid Connected Appliances: Deployment IoT Solution for Fault Detection and Diagnostics

As one of the most energy-intensive end-uses in the commercial buildings sector, supermarkets consume around 50 kWh/ft 2 ( or 537.6 kWh/m 2 ) of electricity annually, or more than 2 million kWh of electricity per year for a typical store. The biggest consumer of energy in a supermarket is its refrigeration system, which accounts for 40–60% of its total electricity usage and is equivalent to about 2–3% of the total energy consumed by commercial buildings in United States, or around 0.5 quadrillion Btu (or 0.53 quadrillion KJ). Also, the supermarket refrigeration system is one of the biggest consumers of refrigerants. Current supermarket refrigeration systems rely on high global warming potential hydrofluorocarbon refrigerants. Reducing refrigerant usage or using environment friendly alternatives can result in significant climate benefits. Transcritical CO2 refrigeration systems have attracted more attention in recent years because of their zero-carbon emission advantages compared with traditional refrigerants. These systems are widely used in commercial buildings such as supermarkets. The refrigeration system can also be adapted to handle flexible building loads and be integrated into grid response transactive control to balance the supply and demand of the electric grid. Even minor improvements in the efficiency and operational reliability of supermarket refrigeration systems can create significant value in terms of saving energy, improving food quality, protecting the environment, reducing carbon footprint, and enhancing electric grid resilience. For decarbonization, the new administration has set a target to reduce greenhouse gas emissions by 50– 52% by 2030 and targeting a carbon-neutral economy by 2050. For electrification, the goal is to achieve 100% clean electricity by 2035. Such decarbonization and electrification in the building sector require that energy consumption in buildings be reduced significantly. Therefore, the building sector must continuously adopt new technologies to achieve its energy and carbon emission goals. One of the most fundamental technologies is the Internet of Things (IoT). IoT has proven to be an effective solution for the building domain, including building information/energy modeling, smart buildings, etc. Although much progress has been made in the development of IoT-based building energy systems, there is still a lack of reliable, scalable, and affordable IoT-based automated fault and degradation diagnostics (AFDDs) solutions. Such solutions would enable deployment of advanced algorithms into real systems to archive the projected energy benefits. This study reviews existing IoT solutions developed for building energy– related application and developed a simple but effective AFDD IoT deployment solution, including developing a suitable IoT architecture and conducting easy and scalable deployment by leveraging a common cloud-based IoT service.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2023

TF9 Dataset Analysis

Incident Overview: In the time between November 2, 2019 and November 11, 2019, WheelByte was plagued by breaches in security. These insecurities led to breaches in customer data, company data, and even the death of an employee, Matthew Swift. They have launched an investigation into the company’s computer systems in hopes to find the root cause. We have been provided with the following artifacts from WheelByte: memory images, disk images, network packet captures, and emails. We have found multiple cyber-system attacks against WheelByte. Our investigation lasted from July 13th - August 3rd, 2023. WheelByte allowed us to look at any and every file, and there were no restrictions on what we could or could not use in our investigation. By the end of our investigation, we have been able to deduce who is behind the attack, what they have done, and why they did it. A company that is closely related to WheelByte is called Slyde. Slyde sells electric scooters and it is known that the Chief Executive Officer (CEO) of Slyde, Kimberly Holmes, sees WheelByte as a threat to business, as Wheelbyte sells electric skateboards. We have been able to deduce that Slyde is likely behind many of the malicious attacks. We have seen exfiltration addresses to Slyde domains, along with other Slyde information within their malware. We can see lots of traffic to and from Slyde Internet Protocol (IP) addresses. This may be an attempt to cripple WheelByte’s productivity to remove Slyde’s competitor from the market.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Social Vulnerability and Beacon Hill Resilience Hub Network [Slides]

Improving community resilience to climate change impacts is a core goal of the Beacon Hill stakeholder task force. Developing a network of resilience hubs in the community is a strategy the task force is pursuing to build this resilience. This technical assistance aims to assist the task force in their resilience hub network planning by: identifying hazards that the resilience hubs may address; providing background information on social vulnerability and climate impacts; identifying populations in Beacon Hill who are at risk to disproportionate climate impacts due to social isolation and physical vulnerability characteristics (e.g., lack of transportation or internet); and identifying the potential role of resilience hubs that align with best practices for reducing social vulnerability to climate impacts.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2023

Quantum Computing – Real-Time Data Processing from a Dilution Refrigerator

This poster presents a real-time data visualization system for monitoring and displaying data from a Bluefors control unit connected to a dilution refrigerator. The goal is to provide an aesthetically pleasing and user-friendly web-based interface that continuously updates and displays critical data such as temperature and flow rates at various points within the refrigerator. Leveraging WebSocket technology, the system establishes multiple connections to the dilution refrigerators, enabling simultaneous monitoring of several units. The interactive webpage dynamically updates the data, providing researchers and operators with instant insights into the system's performance. The system's ability to stream and visualize data in real-time enhances the understanding of the dilution refrigerator's behavior, aiding in optimizing its operation and ensuring efficient scientific experiments. The application's web-based nature makes it easily accessible from any device with internet connectivity, promoting seamless collaboration and remote monitoring capabilities. Overall, this poster offers a comprehensive solution for real-time data visualization and analysis of dilution refrigerators, catering to the needs of researchers and scientists working in low-temperature physics and quantum computing fields.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2023

Ultra: Underwater Laser Telecommunications & Remote Access (Final Report)

High speed wireless communication has proven elusive in subsea environments due to the inherent bandwidth limitations of acoustics and range limitations of other transmission modalities. A truly connected subsea system necessitates a high-speed, resilient architecture that can enable the integration of new sensor technologies and edge analytics and allow closed-loop monitoring and control of subsea operations for integrity monitoring and optimization. Like terrestrial Internet of Things applications, the realization of this “digital subsea” vision requires the application of high speed, point-to-point wireless technologies to complement rather than replace “hard-wired” communications such as optical fiber or acoustic systems. This work addresses the development of ULTRA (Underwater LASER Telemetry and Remote Access), an ultra-long range underwater laser communications system for use in critical points of the subsea communications architecture to increase reliability, operational flexibility, and reduce communication system maintenance associated with physical subsea connections.

02 PETROLEUM↗

DOE OSTI2023

Creating a Digital Twin for a Hydropower System through 3D Object Modeling: Alder Dam FY23

Hydropower stands as the world's leading source of renewable electricity, with hydropower plants spanning the globe. A typical hydropower plant comprises essential components including the governor, excitation system, generator, thrust bearing, hydraulic turbine, transformer, main lead, metering and control devices, tailwater depression system, and dissolved oxygen monitoring. Each of these components undergoes various measures and monitoring procedures. These measurements are collected through a diverse array of systems, encompassing standalone sensors, programmable logic controllers (PLCs), Supervisory Control and Data Acquisition (SCADA) systems, Internet of Things (IoT) devices, and data acquisition and integration platforms like OSI/PI.

13 HYDRO ENERGY↗