Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “creativity”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 145 records · Page 8

DUNE Offline Computing Conceptual Design Report

This document describes Offline Software and Computing for the Deep Underground Neutrino Experiment (DUNE) experiment, in particular, the conceptual design of the offline computing needed to accomplish its physics goals. Our emphasis in this document is the development of the computing infrastructure needed to acquire, catalog, reconstruct, simulate and analyze the data from the DUNE experiment and its prototypes. In this effort, we concentrate on developing the tools and systems that facilitate the development and deployment of advanced algorithms. Rather than prescribing particular algorithms, our goal is to provide resources that are flexible and accessible enough to support creative software solutions as HEP computing evolves and to provide computing that achieves the physics goals of the DUNE experiment.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Inferring Water Content from Neutron Die-away Curves for Planetary Science Applications

Signatures of liquid water on planetary bodies may provide evidence for past, present, or future life elsewhere in the solar system. Multiple current and upcoming planetary science missions are prioritizing the search for water, using innovative technologies and creative algorithms. For this project, we explore the capabilities of an instrument similar to the Dragonfly spacecraft to map water content on the surface of Titan, the largest moon of Saturn. We simulate Dragonfly’s neutron observations for a variety of soil compositions and develop multiple techniques to extract water content from the resultant neutron data. Additionally, we supplement neutron observations with gamma spectroscopy in an attempt to further refine water content estimates. This work is part of a larger study to employ Gaussian process regression to estimate a map of water content along the surface of Titan. Using the estimated map, an algorithm based on prediction difference mapping is employed to optimally move multiple Dragonfly detectors around the surface of Titan, fully autonomously.

79 ASTRONOMY AND ASTROPHYSICS↗

2022 LLNL Nuclear Science and Security Summer Internship Program

The Lawrence Livermore National Laboratory (LLNL) Nuclear Science and Security Summer Internship Program (NS 3 IP) is designed to give graduate and undergraduate students an opportunity to come to LLNL for 8–10 weeks of hands-on research. Students conduct research under the supervision of a staff scientist, attend a weekly lecture series, interact with other students, and present their work to the LLNL scientific community at the end of the program. Students also have the opportunity to meet staff scientists one-on-one, participate in LLNL facility tours (e.g., the National Ignition Facility and Center for Accelerator Mass Spectrometry), and gain a better understanding of the various science programs at LLNL. Due to the travel and access restrictions imposed by the COVID-19 pandemic, the 2022 NS 3 IP was organized as a hybrid internship program. Five of the 20 NS 3 IP students participated remotely. One of the 8 students funded directly by DTRA participated remotely. With LLNL’s extensive institutional support, remote students accessed the laboratory’s cyberinfrastructure through a secure virtual desktop environment and all seminars, mentor interactions, summer presentations, and laboratory tours had a remote option. The hybrid approach to the internship program provided flexibility to both the interns and their mentors to construct creative research projects that maximized student exposure to nuclear science research that is relevant to DTRA and LLNL. We anticipate continuing a hybrid internship format in the summer of 2023.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Laboratory Directed Research and Development Program: FY 2021 Completed Projects

Oak Ridge National Laboratory (ORNL) is the US Department of Energy’s (DOE’s) largest multiprogram science, technology, and energy laboratory. It possesses distinctive capabilities in neutron science, computing, advanced materials, nuclear science and technology, and other fields. Using these capabilities, ORNL conducts basic and applied R&D to support DOE’s overarching mission “to ensure America’s security and prosperity by addressing its energy, environmental and nuclear challenges through transformative science and technology solutions.”1 As a national resource, ORNL also applies its capabilities and skills to specific needs of other federal agencies and customers through the DOE Strategic Partnership Projects (SPP) Program. Information about the laboratory and its programs is available on the ORNL website.2 The Laboratory Directed Research and Development (LDRD) Program at ORNL operates under the authority of the DOE Order 413.2C, “Laboratory Directed Research and Development,”3 which establishes DOE’s requirements for the program while providing the laboratory director broad flexibility for program implementation. The LDRD Program funds are obtained through a charge to all laboratory programs. Although it represents a relatively small portion of the overall research budget, the LDRD Program plays an essential role in maintaining the laboratory’s ability to respond to national needs. The program allows ORNL to improve its distinctive capabilities and to enhance its ability to conduct cutting-edge R&D. In accordance with the DOE order, R&D projects funded through the LDRD Program at ORNL support the following goals: (1) maintain the scientific and technical vitality of the laboratory; (2) enhance the laboratory’s ability to address future DOE missions; (3) foster creativity and stimulate exploration of forefront areas of science and technology; (4) serve as a proving ground for new concepts in R&D; and (5) support high-risk, potentially high-value R&D. This report provides an overview of the LDRD Program at ORNL in FY 2021 and contains summaries of all LDRD research projects that concluded between October 1, 2020, and September 30, 2021.

99 GENERAL AND MISCELLANEOUS↗

Cyberguardians and STEM Warriors (Final Technical Report (FTR))

In the past decade, solar power, with and without energy storage has become the fastest growing source of energy generation in the world. In the U.S., solar employment more than doubled from 105,145 jobs in 2011 to 255,037 jobs in 2021, four times faster than the U.S. job growth rate overall. These factors, combined with technology advancements, creates a skills gap that puts tremendous stress on society to deliver the workers to fill the open job requisitions. The Cyberguardians and STEM Warriors project (Cyberguardians) was designed to address the trained-worker shortage in the energy industry in three ways: 1) by developing educational curriculum that addresses DER technology changes; 2) by delivering curriculum to prospective workers, including military veterans and their families, via universities, community colleges, and vocational training outlets; and 3) introducing individuals who have completed training to employers that can hire them. Cyberguardians exceeded its curriculum goals by producing 27 academic units of university-accredited material (12 total courses) covering energy fundamentals, smart inverters, Distributed Energy Resource (DER) data communication, cybersecurity, standardization, certification, data analytics, and IEEE 1547 standard topics. The North American Board of Certified Energy Practitioners (NABCEP) also accredited the material for use in their credential program. Seven instructors were recruited and trained, and six academic institutions (University of California San Diego, State University of New York, North Carolina State University, Harper Community College, Green Village Academy, and the SunSpec Alliance) were enlisted, meeting program goals. All course material was published under the Creative Commons license and made available royalty free, thus providing a long-lasting public benefit. The program’s outreach program vastly exceeded program goals and incorporated the efforts of 13 outreach partners (11 of which are veteran focused), an advisory board representing 15 companies, webinars and 10’s of thousands of email messages sent to prospective students and hiring managers. Despite these efforts, the global pandemic depressed anticipated program participation by about a third. Still, a total of 396 students enrolled and 289 completed the courses and were accredited. The job applicant task achieved similar results (111 realized vs a 174 goal) but reported job placement was weaker at (9 realized vs. a 51 goal). The Cyberguardians program fills a critical void for cost-effective, royalty-free curriculum and training pertaining to DER technologies and cybersecurity that prospective energy workers must possess to be effective in the 21 st century. On this basis alone, the investment of taxpayer funds will pay dividends for years to come.

14 SOLAR ENERGY↗

Powering the Future: Fusion & Plasmas

This report provides a decade-long vision for the field of fusion energy and plasma science and presents a path to a promising future of new scientific discoveries, industrial applications, and, ultimately, the delivery of fusion energy. We identify critical areas for research and development and prioritize investments to maximize impact. The research community worked for more than a year to develop a wealth of creative ideas designed to accelerate fusion energy and advance plasma science. The effort culminated in the consensus Community Planning Process report. Our work is based heavily on that report, and we extend our sincere gratitude to our colleagues for their efforts. Following the research community’s lead, we worked through consensus to generate this report. Many ideas were heard and were thoughtfully deliberated until a shared view on each issue emerged. This process allowed us to discuss and appreciate our different points of view and come to consensus language. Ultimately, we speak with one voice in conveying a vision for a vibrant program that will bring significant benefit to society.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Downselection and Basic Properties of Additively Manufactured ODS Alloys

In the AMMT program the work package for development of new materials aimed to explore the advanced manufacturing techniques that are feasible for the manufacturing of advanced materials components. A merit-based feasibility study was attempted to identify an accelerated development path for dispersion strengthened (ODS) alloys by creatively combining additive manufacturing (AM) technologies with the recent advances in ODS materials and traditional manufacturing technologies. For the fiscal year, the primary tasks were focused to develop additive manufacturing (AM) and post-build processing route for oxide dispersion strengthened (ODS) ferritic (Fe-Cr alloy or 14YWT) and austenitic (Fe-Cr-Ni alloys or 316L and 316H) alloys and to perform basic microstructural and mechanical characterizations to provide feedbacks to the alloy and processing design. Further, the multi-laboratory effort created collaboratively a decision criteria matrix to evaluate and downselect the new materials processed by advanced manufacturing methods. This report is to describe the ODS alloy processing routes combining AM processes and post-build thermomechanical treatments, mechanical and microstructural characteristics of the newly developed materials, and the application results of the decision criteria matrix for the AM ODS alloys including a downselected material and feasible processing route. Key mechanical test results including tensile strength, tensile ductility, and fracture toughness data and are reported and explained. Higher strength was measured from the ferritic ODS alloys, while higher ductility and fracture toughness were measured from the austenitic ODS alloys. Many of the decision criteria were scored the same for the AM ferritic and austenitic ODS alloys, however, the generally known fact that the austenitic alloys have higher corrosion resistance and significantly better ductility. Although these scores are not significantly different to make them highly discernable, the austenitic ODS alloys were downselected to be the primary materials group in the future research on ODS materials in AMMT program.

36 MATERIALS SCIENCE↗

Technology Strategy Assessment: Findings from Storage Innovations 2030 Bidirectional Hydrogen Storage

Hydrogen is the most common element in the universe, comprising nearly 75% of all normal matter, and it has been used by scientists for centuries, but it was not fully recognized as an element until 1766, when it was isolated by Henry Cavendish. Early work focused on the generation of hydrogen through the oxidation of metals in water, which released hydrogen gas. Hydrogen’s lighter-than-air and flammable properties were immediately used in engines, zeppelins, and as feedstock for a wide variety of chemical reactions. Several approaches were developed for the production of hydrogen with the most common being associated with the production and conversion of hydrocarbon-based fuels. Coal gasification, steam methane reforming, and other reformation processes provide the majority of current hydrogen production due to the relatively low cost of hydrogen produced through these processes. More than 95% of hydrogen production is used for industrial processes rather than energy storage. To facilitate affordable decarbonization of these industrial processes and to advance the use of hydrogen as a fuel in transportation, DOE launched the Hydrogen Shot as part of the Energy Earthshots Initiative. The goal of the Hydrogen Shot is to reduce the cost of clean hydrogen by 80% to $1/kg of clean hydrogen production within one decade (known as the “1 1 1” goal). This is distinct from the Long-Duration Storage Shot, which is the primary focus of this report; however, it is intrinsically linked to bidirectional hydrogen storage. Several important chemical synthesis processes are dependent upon hydrogen, and the production and use of hydrogen is generally driven by its connection to one of these markets. For example, ammonia is one of the most highly produced chemicals in the world and it depends chiefly on hydrogen. Ammonia is primarily used for agricultural fertilizer and is considered to be largely responsible for a doubling of agricultural production per unit of land over the last century. Another one of hydrogen’s primary uses is as a catalyst in petroleum refining during the desulfurization process. Beyond chemical production, hydrogen is used as a reductant in the production of steel and has been demonstrated as a substitute for metallurgical coal in the production of raw iron. It is even used in the hydrogenation reaction for food products to create more shelf-stable semi-solid fats. However, while hydrogen is produced on the order of 100 million metric tons/year globally to feed these industries, more than 95% of hydrogen is produced from hydrocarbons that emit CO2 during the process. Conversely, electrolysis is a process by which electricity is used to separate hydrogen and oxygen in water molecules, usually across a membrane. Hydrogen production via electrolysis lowers the carbon intensity of produced hydrogen when coupled with low-carbon electricity. Currently, global electrolysis capacity is on the order of 1 GW, which equates to about 500 metric tons/day of hydrogen production. To support large-scale industrial decarbonization, capacity will likely need to increase by two to three orders of magnitude. Electrolysis technology is broadly separated into groups that are defined by the electrolyte used, with further subdivision based on the operating characteristics. The majority of commercial electrolyzer systems are based around three main technology groups: liquid alkaline, proton exchange membrane, and solid oxide. Liquid Alkaline (LA) electrolysis is the oldest, most mature, least expensive, and most common commercial technology, with 400 plants in operation by 1902. Its hydrogen output is low relative to the size of the system due to a low current density. LA electrolysis utilizes a liquid potassium hydroxide solution as the electrolyte. Proton exchange membrane (PEM) electrolysis (also known as polymer electrolyte membrane electrolysis), described in 1960, relies on an acid-impregnated polymer membrane as the electrolyte and typically offers three to six times higher hydrogen production per unit cell area than LA electrolysis. Solid oxide electrolysis, or high-temperature electrolysis, utilizes a ceramic cell as the electrolyte and operates on steam rather than liquid water, enabling electrical efficiencies of more than 90%, which is up from 60% with PEM. Two pre-commercial electrolyzer technologies to note are alkaline exchange membrane (AEM) and proton-conducting solid oxide electrolysis cell (SOEC). AEM potentially has the advantages of both LA and PEM technologies in that it is able to use low-cost materials like LA but with the ability to operate at higher output pressures with a smaller footprint like PEM. Proton-conducting SOEC is similar to commercial SOEC, which uses an oxide-conducting ceramic; however, it uses a proton-conducting ceramic that has the potential to operate at lower temperatures and has lower capital costs. Each of these technologies is experiencing a rapid improvement in performance and a reduction in installed cost, and each appears to be well suited to specific applications. Besides differences in the type of electrolyzer used, the main difference in the architecture of bidirectional hydrogen systems is how the hydrogen is stored. Currently, the most cost-effective way to store large amounts of hydrogen gas is underground, such as in large salt caverns that have been hollowed out. These salt caverns are geographically concentrated in small portions of the United States and are not generally near large metropolitan areas; however, other subsurface architectures are being investigated to expand this reach. A more widely deployable option is aboveground pressurized tanks. These systems are about 10 times as expensive because of the materials and safety margins required to hold hydrogen at high pressures. A third option is using materials-based storage, such as liquid organic hydrogen carriers. By reversibly attaching the produced hydrogen to other molecules, it can be stored at near atmospheric pressure and room temperature. This has the potential to reduce the material cost of storage but may result in a reduction in the efficiency of the process because there are both hydrogen uptake and release processes. While materials-based storage has not been used extensively for large-scale hydrogen storage in the past, there is currently significant activity regarding developing materials and processes for use in large-scale hydrogen storage applications. Electrolysis-produced hydrogen offers an unusual opportunity for energy storage applications. Unlike more conventional energy storage approaches, such as batteries, which operate entirely within electrical markets, hydrogen is a valuable product beyond the electric market and can be directed to the most lucrative use. Hydrogen also can be directly converted back to electricity using either a fuel cell or turbine, or it can be sold to other markets, such as chemical synthesis, steel production, or even export. In this way, excess electricity can be upgraded to the most valuable product. Finally, its use can be actively managed between multiple off-takers; for example, local hydrogen storage can provide a specific amount of stored electricity and any excess can be exported to ammonia production. This flexibility is amplified by the fact that hydrogen storage has fully decoupled power and energy components, which allows for affordable scaling options. Together, this allows a substantial amount of creativity to enable the economic utilization of variable power resources while supporting decarbonization of the industry.

08 HYDROGEN↗

Oak Ridge National Laboratory Annual Sustainability Report 2023

ORNL, managed under contract by UT-Battelle LLC, is DOE’s largest science and energy laboratory and, as such, executes the widest range of mission capabilities. Diverse expertise spans a broad range of scientific and engineering disciplines, enabling research and science achievements to accelerate the delivery of solutions to the marketplace. ORNL supports DOE’s national missions of scientific discovery, clean energy, and security. To execute these activities, ORNL has grown significantly over 80 years of continuous operations, consisting of facilities with commissioning dates ranging from the 1940s to the present—an extraordinary set of distinctive scientific facilities and equipment. The complexities of such a variety of facilities require teamwork among divisions, a wide variety of conservation projects, and creative strategies to achieve the desired energy and water savings. Such a diverse and unique set of major facilities, totaling over 5.5 million square feet, with 6,000 employees, requires an innovative plan to accomplish advancements in operational efficiencies. ORNL is tasked with the management of an extraordinary set of distinctive scientific facilities and equipment for DOE. ORNL is mission-driven, and its mission has grown substantially over the decades. ORNL’s core research capabilities provide broad science and technology support for DOE in the areas of energy, environment, and national security. Currently, ORNL is a world leader in materials, neutron, and nuclear science and engineering, and in high-performance computing and data analytics. ORNL’s vast portfolio of research facilities must be maintained and carefully upgraded to protect the nation’s investment in scientific analysis. The goal of sustainable and resilient operations is to enable more effective execution of ORNL’s science and technology mission. Sustainable operational practices and enhanced resilience strive for excellent results while remaining diligent in energy conservation, environmental stewardship, asset management, and community engagement. The Sustainable ORNL Program (Sustainable ORNL) Continuous improvements in operational and business processes must be integrated into the fabric of the ORNL culture to maximize the return from the investment made in modernizing facilities and equipment. The Sustainable ORNL program promotes the legacy of system-wide best practices, management commitment, and employee engagement that will lead ORNL into a future of efficient, resilient, and sustainable operations. ORNL leadership and Sustainable ORNL champions receive regular status reports on the progress of each project and focus area (i.e., roadmap) and periodic summary reports. More information can be found at the program’s website. The Sustainable ORNL roadmap structure endorses 15 vital roadmaps. The figure below summarizes the current project assignments and demonstrates that each project contributes to the wellbeing of the whole. Continuous employee engagement and regular status reports confirm the ideals of the program. The roadmap structure is not static; as the science mission advances and the needs of the organization evolve, the Sustainable ORNL roadmap structure elements are modified to align with developing priorities. In 2022, Sustainable ORNL made roadmap changes to better align ORNL to support new federal requirements that have been issued.

54 ENVIRONMENTAL SCIENCES↗

Water Innovation and R&D Concept Exploration and Preliminary Assessment: Water Scoping Project Report Deliverable

Pacific Northwest National Laboratory and Idaho National Laboratory produced a cursory review and initial framework to support the US Department of Energy’s Water Power Technologies Office (WPTO) in considering options for program development related to water. The laboratories provided a suite of tools – rationales, evaluation criteria, and visual maps – as well as R&D concepts that could be applied at various scales over short- and long-term time horizons. The effort is, by DOE request, largely the result of the authors’ creative efforts and not intended to be a comprehensive or detailed analytical exercise. This report summarizes the work provided to WPTO and is not intended for broad distribution.

54 ENVIRONMENTAL SCIENCES↗

Industrial Assessment Center

Established in 1990, San Diego State University’s (SDSU) Industrial Assessment Center (IAC) is proud of its years of service. During this period, it has served over 620 small and medium-sized manufacturing plants in Southern California. SDSU/IAC’s efforts to transfer state-of-the-art technologies to industry have increased revenues, cultivated creativity, improved energy efficiencies, and benefited the environment. The Center has contributed to the region's economic growth and stability by assisting small and medium size companies to better compete in the global market. It has helped mitigate climate change by reducing greenhouse gas emissions. IAC activities have fostered productive relationships between the University and local industry, assisted industrial sectors to improve their energy efficiency and enhance their manufacturing productivity, in turn impacting the material and working conditions of their employees. In addition to financial savings and environmental benefits, we have trained tens of students who became energy specialists in various companies. Thus, a substantial benefit of the IAC has been the ongoing training of engineering faculty and students. All IAC graduates were offered jobs before or within weeks of their graduation. The activities of the SDSU/IAC have expanded the institutional expertise of the College and improved the knowledge base of the faculties involved leading to several related publications, master’s theses, and senior student projects. Significant number of peer-reviewed publications of the IAC director at SDSU have greatly benefitted from the experience of the Center. As a result of this extensive exposure to manufacturing processes, the SDSU/IAC has grown to be an integral component of SDSU’s engineering research and training. We have successfully built upon these established achievements and academic excellence. IAC service to industry is particularly vital in Southern California, a region with one of the highest manufacturing concentrations in the country. SDSU/IAC has understood and implemented the overall objectives of DOE’s IAC program and guidelines except for the pandemic years when the country’s manufacturing sector was put in dire stress. In addition to student training and service to industry, IAC’s contribution to state and local governments as well as utility companies to assess energy policies and design rebate and incentive strategies cannot be undermined.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Perceptions of Value in Process-based Engineering in LANL's Intelligence and Space Research Division [Capstone Project]

This project studied a perceived aversion to process-based engineering in ISR Division. Thirty interviews were conducted with ISR staff to explore research questions including perceived advantages and disadvantages of process and ISR strengths and weaknesses. Results were analyzed for synergies between the research questions. Results indicate an unexpected willingness to adopt process so long as that process does not stifle creativity and is flexible enough that it can be applied if and when it provides the most value.

42 ENGINEERING↗

FY22 Grid Modernization & Energy Storage Program: Accomplishments & Impacts

Sandia’s Grid Modernization and Energy Storage program works to advance a national vision of a secure, resilient, and sustainable electric system for all users. Our achievements reflect a strategic approach combining technology development; modeling, simulation, and data analytics; and partnered demonstrations and outreach to further the adoption of advanced grid and storage technologies. Our FY22 efforts leverage the strengths of our partnerships—spanning Sandia’s core science and technology competencies as well as external technology leaders—to develop the solutions today which enable the grid of tomorrow. Much of the material in this report comes from the separate 2022 Accomplishments Report compiled by our Energy Storage subprogram team, a cornerstone of our grid research and achievements. The Grid Energy Storage Program at Sandia is focused on making energy storage cost-effective through research and development (R&D) in new battery technologies, advanced power electronics and power conversion systems, improved safety and reliability for energy storage systems, analytical tools for the valuation of energy storage, and the validation of new energy storage technologies through demonstration projects. During the 2022 fiscal year, Sandia executed R&D work supported by the U.S. Department of Energy’s (DOE) Office of Electricity – Energy Storage Program under the leadership of Dr. Imre Gyuk. This report indicates key areas of research and engagement and summarizes the impact of Sandia’s contributions through notable accomplishments, journal publications, patents, and technical conferences and presentations. It is provided with the hope that readers discover ways we can further team to create our modern grid and apply the outcomes of our efforts. The bulk of work described herein is funded by the DOE Office of Electricity and key programs within the DOE Office of Energy Efficiency and Renewable Energy. As we indicated in our report from last year, the contributors to our successes are too numerous to name here, though our team wishes to express our deep gratitude to the numerous program and project sponsors at the US Department of Energy, who often function equally as technical collaborators; our many partners in industry, academia, utilities, and other national labs; and fellow researchers and business partners at Sandia whose leadership and creativity have enabled the accomplishments described herein.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Visioning Energy: Science Fiction Author-Energy Researcher Collaboration Workshop Recap

The Visioning Energy: Science Fiction Author-Energy Researcher Collaboration Workshop brought together speculative fiction authors and NREL researchers to examine possible scenarios of the future. The goals of the workshop were to support out-of-the-box thinking and creative future visioning for the researchers and to provide authors with insights into the latest clean energy technologies and their potential. This report outlines the proceedings of the workshop and insights from the collaborative brainstorming activity, highlighting themes and opportunities for further exploration.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Hardware Fuzzing with An Emulator

Bugs in digital logic have led to some significant security vulnerabilities. Hardware bugs are particularly troublesome since they cannot be easily patched. Additionally, if the bug is in the root of trust, all trust built upon it can be vulnerable. Traditional testing either require a deep knowledge of the system, creative attack vectors and lots of human interaction. This is not scalable as there are very few engineers that can wear the hat of a designer, a verification engineer, and a cybersecurity expert. Hardware fuzzing is a relatively new research area in dynamic hardware testing. It has proven to be an effective method for discovering bugs, unexpected behaviors, and security vulnerabilities in software. While hardware fuzzing is new to the hardware domain, it has a strong track record in software testing. Fuzzing is a testing technique that randomly mutates the input data to uncover bugs or vulnerabilities in the design. It is especially good at finding corner cases that test engineers can not envision. Another advantage over other dynamic testing techniques is that, if done well, deep knowledge of the design is not required. Additionally, fuzzing scales well. If the system is set up correctly, it can run unsupervised for weeks if necessary. In this work, we propose using hardware fuzzing to improve the input vector generation for an information flow tracking tool. To get reasonable throughput of test vectors, an emulator is targeted as the execution platform. Efficient emulator execution has some specific requirements.

42 ENGINEERING↗

SAVY O-ring characterization for lifetime extension

Los Alamos National Laboratory and Nuclear Filter Technology, Inc. developed the SAVY-4000 nuclear material storage container, named after the designers Stone, Anderson, Viers, and Yarbro. The SAVY 4000 meets the requirements of Department of Energy (DOE) M 441.1-1,2 Nuclear Material Packaging Manual, to protect workers who handle nuclear materials against radiation exposures resulting from the leakage of stored materials. The SAVY-4000 is an innovative and creative design: it can be opened and closed in a few seconds without using torque wrenches and instead only a tire iron or equivalent prying tool; has a built-in, fire-rated filter that prevents the build-up of hydrogen gas yet retains 99.97% of plutonium particulates at 200 ACCM rated flow; and prevents the release of stored materials upon a 12- foot drop.

42 ENGINEERING↗

Adaptive Discovery and Mixed-Variable Optimization of Next Generation Synthesizable Microelectronic Materials

Design of new microelectronic materials is characterized by several challenges such as high-dimensionality of the atomic structure-composition variable space, formidable cost of directly using high-fidelity simulations for design optimization, dispersity in literature-reported similar materials and synthesis methods, complex physical mechanisms, and mixed qualitative and quantitative design variables that lead to a disjointed design space. Even though machine learning (ML) techniques have been employed to expedite materials innovation, existing methods treat ML and design optimization as two separate processes, failing to resolve the fundamental challenges associated with high dimensionality and mixed-variable complexity. We have developed a ML enhanced mixed-variable material design optimization framework to efficiently extract useful information from existing data in literature and physics-based simulations to guide the autonomous search for optimal materials. Our proposed framework is composed of four computational modules: (1) a natural language processing (NLP) based virtual screening module, (2) classification based concept exploration module, (3) a density functional theory (DFT)-based high-fidelity evaluation model, and (4) a novel latent-variable Gaussian process (LVGP) ML model for mixed-variable problems with uncertainty quantification, which seamlessly integrates with Bayesian Optimization (BO) and achieves superb efficiency through embedded physics-based dimension reduction. Our approach is demonstrated and validated using the testbed of functional materials exhibiting metal-insulation transitions (MITs), with the targeted reversible resistivity changes (∼10^5) near room temperature. At the end of the 30-month project, we have developed a series of new ML techniques using NLP, conditional variational autoencoders, active learning, latent-variable Gaussian processes, integrated with Bayesian optimization. Our project has resulted in new predicted MITs compounds and improved understanding of MITs microscopic mechanisms, which in turn will revolutionize microelectronics science to provide energy-saving solutions. Our research has improved both creativity and efficiency in transforming rare-event discoveries of new functional materials to persistent innovations. In addition to open-sourcing the online MIT database and the classification model, the LVGP open source code has been downloaded more than 15,000 times within two years. More than 40 MIT compounds have been identified and many have been pursued experimentally via collaborators. The research results are published in close to 20 collaborative papers in high-impact journals, such as Chem. Mater., Appl. Phys. Rev., Sci. Rep., among others of design space.

36 MATERIALS SCIENCE↗

Collaborative: in situ visual analytics technologies for extreme scale combustion simulations

This project aims to drastically enhance the usability of in situ analysis and visualization for extreme-scale scientific simulations. Current exascale computing capabilities promise to offer greater predictive ability of simulations and to further push the frontiers of science and technology. However, to validate the simulation output at extreme scale, examine the modeled phenomena, and discover previously unknowns from the output data, the output must be reduced or transformed in situ as it is being generated during the simulation such that the amount of data to examine and store is kept to a minimum. Such in situ approaches allow us to process and analyze the data and any embedded geometry to an extent that would be prohibitively expensive, if not impossible, to perform as a post hoc task. While in situ processing has been demonstrated to be a feasible and promising approach, its full potential has not yet been leveraged. In this project, we have developed comprehensive enhancements to in situ technology based on probability distributions in data. Our research focuses on jointly developing new ways of interacting with massive statistical samples while creatively utilizing new state-of-the-art computational resources to push the boundaries of in situ exploration. Moreover, we have developed new time-dependent techniques to enable previously unattainable capabilities in areas such as intelligent simulation steering and precise feature identification. We have experimentally studied our design and implementation at NERSC and OLCF, and are able to leverage existing in situ infrastructures whenever possible. While the exemplar in this project is combustion, many other fields for which turbulent transport is important, e.g., fusion, climate, astrophysics among others, encounter similar issues as simulations scale up to the exascale. This project shows its potential to generate high impact on DOE missions since the resulting technology promises to improve scientists’ ability to rapidly and correctly interpret and tune extreme-scale simulations, leading to new scientific understanding and advancements.

97 MATHEMATICS AND COMPUTING↗