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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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Basic Research Needs for Catalysis Science to Transform Energy Technologies: Report from the U.S. Department of Energy, Office of Basic Energy Sciences Workshop May 8–10, 2017, in Gaithersburg, Maryland

Energy technologies affect virtually every aspect of life in modern societies—including transportation, utilities, agriculture, medicine, and the availability of a myriad of consumer products—and depend on human ability to accelerate and to guide chemical transformations. Controlling these transformations, which occur in the microscopic world of atoms and molecules, forms the basis of countless technologies such as production of fuels, fertilizers, plastics, pharmaceuticals and much more. At the very core of these chemical transformations are catalysts—specialized and often highly complex types of matter that allow chemical reactions to occur rapidly and produce specific products. Catalysts also have the remarkable ability to perform their tasks millions of times without themselves being consumed. The discovery of inexpensive and widely-deployable energy and chemical technologies, and their underpinning catalysis science, is critical to ensure the economic viability of U.S. energy and chemical industries. Over the past decade, remarkable new tools have been discovered that allow the observation of catalytic transformations in exquisite detail, and assembly of novel and elaborate catalytic architectures with atomic precision. Furthermore, increasingly sophisticated theoretical and computational tools allow understanding of the essential details of the catalytic processes, and this overall progress has led to the discovery of catalysts with superior performance and the associated economic benefit. In the next decade and beyond, science promises to revolutionize how catalysts and catalytic processes are designed, to enable the introduction of new energy resources, to provide routes to sustainable synthesis of chemicals and other valuable materials, and to create novel approaches to chemical energy storage. This report is the result of the Basic Energy Sciences Workshop on Basic Research Needs for Catalysis Science to Transform Energy Technologies that was held in May 2017, and was attended by more than 100 leading national and international scientific experts. The attendees were organized into four panels: 1. Diversified Energy Feedstocks and Carriers, 2. Novel Approaches to Energy Transformations, 3. Advanced Chemical Conversion Approaches, and 4. Crosscutting Capabilities and Challenges: Synthesis, Theory, and Characterization. The workshop identified five priority research directions (PRDs) that are aimed at harnessing complexity in catalysis to create next-generation energy technologies and realizing efficient catalytic processes to increase the diversity of resources for production of chemicals and energy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Basic Research Needs for Future Nuclear Energy: Report of the Basic Energy Sciences Workshop for Future Nuclear Energy, August 9-11, 2017

Nuclear power today accounts for approximately 20% of the electrical supply for the US. It provides reliable energy that helps to stabilize the national grid. In contrast to current nuclear power facilities, future concepts operate at higher temperatures, are operationally more efficient, more fully utilize the energy stored within the fuel, and reduce the amount of waste produced. Recent advances in chemistry and materials sciences provide an unprecedented opportunity to develop the critical systems—the fuel, coolant, and structural materials—needed for deployment of advanced nuclear reactor designs. To address the challenge of stringent demands on material systems as their properties and performance continuously evolve over the operational lifetime, the frameworks to uncover the underlying processes that cause reduced performance have been developed over the last decade. There is now the prospect of designing materials that report upon their own damage, are self-healing, and leverage what would be considered deleterious chemical processes to increase their performance within advanced reactor designs. Success will provide an energy source needed to secure a stable and safe energy supply for the nation. To identify the key research directions required to discover the chemical processes and material degradation mechanisms that result in loss of performance of the fuel, coolant, and structural materials, nearly 150 theoreticians, computational experts, and experimentalists from industry, national laboratories, academia, and federal agencies participated in a workshop held in August 2017. Based on the discussions held at the workshop, five Priority Research Directions (PRDs) were identified. These PRDs defined the key scientific challenges that must be met as well as the opportunities that can be exploited to achieve a multi-scale spatial and temporal understanding of fundamental processes that govern the properties and performance of the different material systems required for advanced reactors.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Basic Research Needs Workshop on Quantum Materials for Energy Relevant Technology

Imagine future computers that can perform calculations a million times faster than today’s most powerful supercomputers at only a tiny fraction of the energy cost. Imagine power being generated, stored, and then transported across the national grid with nearly no loss. Imagine ultrasensitive sensors that keep us in the loop on what is happening at home or work, warn us when something is going wrong around us, keep us safe from pathogens, and provide unprecedented control of manufacturing and chemical processes. And imagine smart windows, smart clothes, smart buildings, supersmart personal electronics, and many other items — all made from materials that can change their properties “on demand” to carry out the functions we want. The key to attaining these technological possibilities in the 21st century is a new class of materials largely unknown to the general public at this time but destined to become as familiar as silicon. Welcome to the world of quantum materials — materials in which the extraordinary effects of quantum mechanics give rise to exotic and often incredible properties. To realize the tantalizing potential of quantum materials, there is much basic scientific research to be done. Recognizing the high potential impact of quantum materials, nations around the world are already investing in this effort. We must learn how the astonishing properties of quantum materials can be tailored to address our most pressing technological needs, and we must dramatically improve our ability to synthesize, characterize, and control quantum materials. To accelerate the progress of quantum materials research, the U.S. Department of Energy’s Office of Science, Office of Basic Energy Sciences (BES), sponsored a “Basic Research Needs Workshop on Quantum Materials for Energy-relevant Technology,” which was held near Washington, D.C. on February 8–10, 2016. Attended by more than 100 leading national and international scientific experts in the synthesis, characterization, and theory of quantum materials, the workshop identified four priority research directions (PRDs) that will lay the foundation to better understand quantum materials and harness their rich technological potential.

36 MATERIALS SCIENCE↗

Basic Research Needs Workshop on Synthesis Science for Energy Relevant Technology

The technology that lies at our fingertips becomes more powerful each day. Smartphones connect us instantly to family, friends, and co-workers around the globe; give us access to a limitless stream of information; control the heating in our homes; and serve as our cameras, calculators, flashlights, music players, boarding passes and, on occasion, our phones. Cars are ever more fuel-efficient, safer, semi-autonomous, and have more computing power than the systems that guided humankind to the moon. LED lighting and solar panels are becoming commonplace, replacing less efficient technologies and expanding the energy options available worldwide. Novel polymers and nanoparticles are playing a crucial role in enhanced oil recovery. None of these advances would have been possible without the discovery and development of, and ability to create, new materials and chemical processes. Now imagine what our world would be like if we could accelerate those discoveries a thousandfold. What if the only limit to synthesizing new forms of matter were the imagination? We could build complex assemblies of atoms and molecules with architectures and capabilities far exceeding those of materials found in nature—for example, develop catalysts that turn garbage into fuels, design solar cells to power our homes directly from sunlight, make batteries with the energy density of gasoline, and create one- and two-dimensional solids that transport charge hundreds of times faster than silicon or allow us to build quantum bits based on the spins of electrons or photons to realize the promise of “beyond Moore’s law” computing. Advances in synthesis science are required to bring about this future—we not only must know how to design new molecules and materials with desired functions and properties through theory and computational techniques; we also must be able to make the materials we envision. New approaches to discovering as yet unimagined matter require a sea change in the way we think about the science of synthesis. Chemical and materials sciences have traditionally focused on understanding structure–function relationships with the goal of predicting where the atoms should be placed to achieve a targeted property or process. Much less effort has been directed toward a predictive science of synthesis—understanding how to get the atoms where they need to go to achieve the desired structure. This report, which is the result of the Basic Energy Sciences Workshop on Basic Research Needs for Synthesis Science for Energy Technologies, lays out the scientific challenges and opportunities in synthesis science. The workshop was attended by more than 100 leading national and international scientific experts. Its five topical and two crosscutting panels identified four priority research directions (PRDs) for realizing the vision of predictive, science-directed synthesis.

99 GENERAL AND MISCELLANEOUS↗

Breaking the Bottleneck of Genomes: Understanding Gene Function Across Taxa Workshop Report

In the last few decades, high-throughput technologies using various “omics” have enabled unprecedented views of biological systems at the molecular level. In parallel, the integration of omic datasets using computational modeling has provided new understanding of biological processes in organisms relevant to the U.S. Department of Energy’s (DOE) missions in energy and the environment. Collectively, these developments have spearheaded the advancement of systems biology, which can be viewed as a holistic approach for deciphering the complexity of biological systems. However, as high-throughput omic technologies and integrative systems biology efforts have improved our understanding of some biological systems, analyzing and finding meaningful answers within these massive datasets remain extremely challenging, in large part due to the lack of fundamental knowledge of gene function. Indeed, all sequenced genomes, both microbes and plants, contain large numbers of genes of “unknown function” that significantly limit scientists’ ability to model, predict, and engineer organisms with enhanced functions relevant to DOE. Current methodologies can be employed to decipher gene function, but they are typically slow, laborious, inefficient, and not scalable. This “bottleneck” in genome understanding could be broken with new, innovative, and transformative experimental tools, datasets, and computation that can define gene function on a massive and high-throughput scale compatible with the pace of DNA sequencing. In light of this grand challenge, DOE’s Office of Biological and Environmental Research (BER) convened the Breaking the Bottleneck of Genomes: Understanding Gene Function Across Taxa workshop on November 1–2, 2018. This workshop brought together leaders in microbiology, plant sciences, technology, and computation, who collectively identified the experimental and data analysis gaps preventing large-scale gene function determination as well as opportunities for overcoming these gaps.

59 BASIC BIOLOGICAL SCIENCES↗

Genome Engineering for Materials Synthesis: Workshop Report

The Biological Systems Science Division (BSSD) within the U.S. Department of Energy’s (DOE) Office of Biological and Environmental Research (BER) funds basic research on plants and microbes relevant to several DOE bioenergy and environmental mission areas. BSSD has a long history of developing and supporting genomic, molecular, and structural characterization of biological systems. This sustained focus has led to important discoveries and increased understanding of these systems, as well as translational pathways to new processes and products. BSSD research seeks to understand the fundamental genome-encoded properties of plants and microbes that can be harnessed or redesigned for beneficial purposes. Current emphases are leading to the discovery, development, and understanding of numerous plant and microbial species with traits suitable for the production of fuels and chemicals from renewable biomass or light. Additionally, BSSD supports research leading to an understanding of the complex and essential interactions among plants, microbial communities, and the environment. The processes by which living organisms synthesize intricate and potentially valuable inorganic biomaterials are gaining increasing attention. The application of genomic, molecular, and structural tools offers great potential to better understand and potentially exploit these widespread, yet still poorly understood, genome-encoded biosynthetic processes. To engage the relevant scientific communities in discussions of this research opportunity, BER convened the Genome Engineering for Materials Synthesis workshop on October 9–11, 2018 (see Appendices 1–3, pp. 45–48). Workshop participants defined opportunities and challenges for future efforts by considering a foundation of existing experimental work relevant to the biosynthesis of three classes of renewable inorganic biomaterials: (1) inorganic biominerals, (2) inorganic-organic hybrids, and (3) composites of inorganic materials and living cells.

59 BASIC BIOLOGICAL SCIENCES↗

Strategic Competition In Cyberspace: Challenges And Implications Workshop Summary

On July 10th and 11th 2019, the Center for Global Security Research (CGSR) at Lawrence Livermore National Laboratory convened a workshop to examine the nature of strategic competition in cyberspace and the challenges facing current United States cyber domain strategy. The event aimed to situate the discussion of cyber strategy within the broader context of national defense strategy, also taking account of the complex dual-use nature of cyberspace and the variety of stakeholders involved. This was the second workshop that CGSR has hosted on cyber domain strategy and its implications. This event focused specifically on cyber domain military strategy, but with an eye to the implications also for civilian cyberspace, economic and technical interdependence, and democratic Internet governance.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

From Long-distance Entanglement to Building a Nationwide Quantum Internet: Report of the DOE Quantum Internet Blueprint Workshop

A Quantum Path Forward. Today, many scientific experts recognize that building and scaling quantum-protected and enhanced communication networks are among the most important technological frontiers of the 21st century. The international research community perceives the construction of a first prototype global quantum network-the Quantum Internet-to be within reach over the next decade. In February 2020, the U.S Department of Energy (DOE)'s Office of Advanced Scientific Computing Research hosted the Quantum Internet Blueprint workshop to define a potential roadmap toward building the first nationwide quantum Internet. The workshop participants included representatives from DOE national laboratories, universities, industry, and other U.S. agencies with serious interests in quantum networking. The goal was to provide an outline of the essential research needed, detail any engineering and design barriers, and suggest a path forward to move from today's limited local network experiments to a viable, secure quantum Internet.

97 MATHEMATICS AND COMPUTING↗

Plastics for a Circular Economy Workshop: Summary Report

This report summarizes the results of a public workshop sponsored by the Bioenergy Technologies Office, the Advanced Manufacturing Office, and Mars held on December 11–12, 2019 in Golden, Colorado. The Plastics for a Circular Economy Workshop brought together experts from industry, academia, and national laboratories to discuss opportunities and challenges facing the development of new technologies to address plastic waste.

36 MATERIALS SCIENCE↗

Fundamental Needs for Dynamic and Interactive Thermal Storage Solutions for Buildings (2019 Workshop)

The 2019 Workshop on Fundamental Needs for Dynamic and Interactive Thermal Storage Solutions for Buildings was held at Lawrence Berkeley National Laboratory (LBNL) in Berkeley, California, on November 19–20, 2019. The workshop convened 47 individuals involved in thermal, building, and materials science to present and discuss the use of thermal energy storage (TES) associated with buildings. The goals of the event were to revisit recent breakthroughs and identify future research opportunities in scientific areas.

25 ENERGY STORAGE↗

Predictive Models and High-Performance Computing as Tools to Accelerate the Scaling-Up of New Bio-Based Fuels Workshop: Summary Report

This report summarizes the results of a virtual workshop sponsored by the Bioenergy Technologies Office held on June 9–11, 2020. The workshop discussed best practices for utilizing mathematical modeling tools across multiple scales to reduce technology uncertainty and accelerate scaling-up of biorefinery/chemical production equipment and optimize operations.

09 BIOMASS FUELS↗

Pit Disassembly and Processing/Oxidation Capacity (PDP) for Disposition of Surplus Plutonium at Los Alamos (FY2021 Workshop 1) [Slides]

This workshop will establish NNSA/LANL consensus on the planning basis for: updating the 2017 Life Cycle Cost Estimate (LCCE) pre-conceptual estimate by identifying the specific scope elements that will be included; identifying the specific scope elements that will be included in the Line Item project; and identifying the preliminary agenda items for the next PDP workshop.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Fit for Purpose? The U.S. Nuclear Posture in 2030 and Beyond (Workshop Summary)

On June 8-10, the Center for Global Security Research (CGSR) at Lawrence Livermore National Laboratory (LLNL) hosted a workshop titled “Fit for Purpose? The U.S. Nuclear Posture in 2030 and Beyond.” This session brought together participants drawn across the policy, military, and technical communities. The workshop aimed to examine the existing modernization plans, the challenges that might obstruct their implementation, and the new deterrence requirements that might emerge in the future, in light of the modernization efforts of Russia and China.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

The Next U.S. Strategic Posture - and the Posture After Next (Workshop Summary)

On July 8-10, the Center for Global Security Research (CGSR) at Lawrence Livermore National Laboratory (LLNL) hosted a workshop titled “The Next U.S. Strategic Posture – And the Posture After Next.” This session brought together participants drawn across the policy, military, and technical communities in the United States and among allies. The event was a follow-up discussion to CGSR’s last meeting titled “Fit for Purpose? The U.S. Nuclear Posture in 2030 and Beyond.” The July workshop had a broader scope and looked at the different elements of U.S. strategic posture, including not just nuclear capabilities but missile defense, conventional prompt global strike, and space and cyberspace. Participants assessed the 2030 U.S. posture relative to the predicted Russian and Chinese postures, and they examined what capabilities will be crucial beyond 2030.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

The security implications of global climate change. Workshop summary

The Center for Global Security Research (CGSR) at Lawrence Livermore National Laboratory (LLNL) hosted a workshop titled, “The Security Implications of Global Climate Change” on January 5-7, 2021, convened virtually due to the ongoing global COVID-19 pandemic. The workshop included participants from scientific/technical, defense, diplomacy, advocacy, and academic communities in the United States as well as from U.S. allies.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Final Reports of the 2019 Los Alamos National Laboratory Computational Physics Student Summer Workshop

The Los Alamos National Laboratory Computational Physics Workshop is intended to educate select students in problems of computational physics, while exciting them about problems of particular interest to LANL. The long term goal is to train a cadre of future researchers with strong connections to LANL and both interest and expertise in the problems LANL faces. This year’s workshop ran from June 10 – August 16, 2019 and once again attracted a phenomenal group of students, whose work is presented in the following pages. The students worked with LANL staff mentors in teams of two, doing original research. In addition, they attended a lecture series focusing on both the basics and the cutting edge challenges of computational physics (Table 1). A new item this year was a modification to our Meet LANL series of brown-bag lunch session, moving from focusing on individual researchers to panel presentations from the different groups within XCP. As always, the mentors were drawn from across disciplines and divisions. Projects looked physics ranging from quantum interactions, up to solar system development.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Workshop Report for Next-Gen AI for Proliferation Detection: Accelerating the Development and Use of Explainability Methods to Design AI Systems Suitable for Nonproliferation Mission Applications

Artificial intelligence (AI) promises powerful new capabilities in an expansive array of applications. One area is proliferation detection, where AI can provide transformative tools to achieve objectives currently inaccessible using conventional methods. In particular, AI affords the opportunity to use new indicators and process massive amounts of heterogeneous data that can increase sensitivity to proliferant activities and push proliferation detection to the earliest possible stages. However, existing AI tools are not ready to achieve such potential, falling short in regard to some important considerations involved in proliferation detection. One crucial aspect that requires improvement is the explainability of the most powerful AI algorithms (i.e., understanding how the algorithms actually arrive at their conclusions)-the lack of which prevents widespread adoption in national security missions. The Data Science and AI portfolio within the National Nuclear Security Administration's Office of Defense Nuclear Nonproliferation Research and Development is driving the development of next-generation AI for proliferation detection through the expertise and work of the national laboratories and partners in academia. The "Next-Gen AI for Proliferation Detection: Accelerating the Development and Use of Explainability Methods to Design AI Systems Suitable for Nonproliferation Mission Applications" workshop aimed to further this objective. The meeting was held virtually on Sept. 15-16, 2020 and included more than 170 participants, primarily from the national laboratories with additional contributions from university researchers and mission partners. Each day included a keynote presentation, four technical presentations about cutting-edge research in explainability, and a panel to explore considerations in applying explainability and developing AI systems that can accelerate the transition of emerging AI technologies among partners and end users to solve critical mission questions. This report summarizes the Next-Gen AI for Proliferation Detection workshop's content and findings.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗