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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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At least 19 records

Collaborative development of diffraction-limited beamline optical systems at US DOE light sources

An ongoing collaboration among four US Department of Energy National Laboratories has demonstrated key technology prototypes and software modeling tools required for new high-coherent flux beamline optical systems. New free electron laser (FEL) and diffraction-limited storage ring (DLSR) light sources demand wavefront preservation from source to sample to achieve and maintain optimal performance. Fine wavefront control was achieved using a novel, roomtemperature cooled mirror system called REAL (resistive element adjustable length) that combines cooling with applied, spatially variable auxiliary heating. Single-grating shearing interferometry (also called Talbot interferometry) and Hartmann wavefront sensors were developed and used for optical characterization and alignment on several beamlines, across a range of photon energies. Demonstrations of non-invasive hard x-ray wavefront sensing were performed using a thin diamond single-crystal as a beamsplitter.

Goldberg, Kenneth A.↗

ESnet Requirements Review Program Through the IRI Lens: A Meta-Analysis of Workflow Patterns Across DOE Office of Science Programs (Final Report)

The Department of Energy (DOE) ensures America’s security and prosperity by addressing its energy, environmental, and nuclear challenges through transformative science and technology solutions. The DOE’s Office of Science (SC) delivers groundbreaking scientific discoveries and major scientific tools that transform our understanding of nature and advance the energy, economic, and national security of the United States. The SC’s programs advance DOE mission science across a wide range of disciplines and have developed the research infrastructure needed to remain at the forefront of scientific discovery. The DOE SC’s world-class research infrastructure — exemplified by the 28 SC scientific user facilities — provides the research community with premier observational, experimental, computational, and network capabilities. Each user facility is designed to provide unique capabilities to advance core DOE mission science for its sponsor SC program and to stimulate a rich discovery and innovation ecosystem. Research communities gather and flourish around each user facility, bringing together diverse perspectives. A hallmark of many facilities is the large population of students, postdoctoral researchers, and early-career scientists who contribute as full-fledged users. These facility staff and users collaborate over years to devise new approaches to utilizing the user facility’s core capabilities. The history of the SC user facilities has many examples of wildly inventive researchers challenging operational orthodoxy to pioneer new vistas of discovery; for example, the use of the synchrotron X-ray light sources for study of proteins and other large biological molecules. This continual reinvention of the practice of science — as users and staff forge novel approaches expressed in research workflows — unlocks new discoveries and propels scientific progress. Within this research ecosystem, the high-performance computing (HPC) and networking user facilities stewarded by SC’s Advanced Scientific Computing Research (ASCR) program play a dynamic cross-cutting role, enabling complex workflows demanding high performance data, networking, and computing solutions. The DOE SC’s three HPC user facilities and the Energy Sciences Network (ESnet) high-performance research network serve all of the SC’s programs as well as the global research community. Argonne Leadership Computing Facility (ALCF), the National Energy Research Scientific Computing Center (NERSC), and Oak Ridge Leadership Computing Facility (OLCF) conceive, build, and provide access to a range of supercomputing, advanced computing, and large-scale data-infrastructure platforms, while ESnet interconnects DOE SC research infrastructure and enables seamless exchange of scientific data. All four facilities operate testbeds to expand the frontiers of computing and networking research. Together, the ASCR facilities enterprise seeks to understand and meet the needs and requirements across SC and DOE domain science programs and priority efforts, highlighted by the formal requirements reviews (RRs) methodology. In recent years, the research communities around the SC user facilities have begun experimenting with and demanding solutions integrated with HPC and data infrastructure. This rise of integrated-science approaches is documented in many community and high-level government reports. At the dawn of the era of exascale science and the acceleration of artificial intelligence (AI) innovation, there is a broad need for integrated computational, data, and networking solutions. In response to these drivers, DOE has developed a vision for an Integrated Research Infrastructure (IRI): To empower researchers to meld DOE’s world-class research tools, infrastructure, and user facilities seamlessly and securely in novel ways to radically accelerate discovery and innovation.

42 ENGINEERING↗

U.S. DOE’s Energy Treasure Hunt Exchange In-Plant Trainings – DOE Resources, Early Results and Lessons Learned

The primary objective of the Department of Energy’s (DOE) Energy Treasure Hunt In-Plant Training (INPLT) is to train Better Plants partner employees to lead and conduct future energy efficiency Treasure Hunts within their facilities without DOE assistance. By taking a “learning-by-doing” approach, this INPLT, like other DOE INPLT trainings, has the added benefit of uncovering real energy and cost-saving opportunities. This INPLT leverages DOE and Better Plants technical staff, resources and tools and the EPA “Energy Treasure Hunt Guide: Simple Steps to Finding Energy Savings” process. While Treasure Hunts are a relatively well-known approach to identifying energy-savings in manufacturing plants, DOE is adding several additional elements in its Treasure Hunt Exchanges. The first element is technical assistance and methodology. DOE provides high-quality technical resources, such as energy efficiency calculators, fact sheets, source books etc., to facilitate the Treasure Hunt process and teaches four fundamentals: 1) how to profile equipment, 2) how to collect data, and 3), data & ROI calculation methodologies. Another element is the “train the trainer” approach wherein the training facilitator will train at least one partner employee to facilitate future treasure hunts. Another element is that DOE provides energy diagnostic equipment and teaches the participants how to use them. Finally, DOE also offers partners the opportunity to exchange teams of employees either within a partners’ enterprise or with other partners to conduct the treasure hunt in each other’s facilities. This exchange of teams is important because each team can bring different insights and uncover energy-saving opportunities that would otherwise be missed. This paper will discuss DOE methodology and the early results and lessons learned from DOE’S Energy Treasure Hunt In-Plant Trainings at Better Plants Partner facilities.

Nimbalkar, Sachin U.↗

ROS-DOE: Leveraging Open-Source Robotics Software for the DOE-EM Mission? - 17181

In order to establish a common software framework for its robotic systems, the United States Department of Energy - Environmental Management (DOE-EM) is considering the possibility of extending the Robot Operating System (ROS) open source robotics software to address the varied, complex challenges facing DOE-EM. The effort, preliminarily called ROS-DOE, would enhance the reliability, robustness, security, and user friendliness of ROS to meet the requirements of the nuclear waste remediation mission, and those of DOE as a whole. As envisioned, the ROS DOE program would also support rapid progress to mature cross-cutting capabilities including supervised autonomy, inter-operability with off-the-shelf industrial equipment, and physics-based robot simulation (i.e., Gazebo). This paper provides background context about the current state of ROS software and its supporting community, surveys DOE-EM needs and requirements for robotic solutions, and analyzes the gaps between the current state of ROS and those needed for DOE-EM robotics. It then identifies new capabilities that are recommended for ROS-DOE and outlines software development practices that could be leveraged to blend the best of the open-source world with high-reliability software development practices. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

ElectroCat: DOE's approach to PGM-free catalyst and electrode R&D

The successful development of high-performance, durable platinum group metal-free (PGM-free) electrocatalysts and electrodes for polymer electrolyte membrane fuel cells (PEMFCs) will ultimately improve the cost-competiveness of fuel cells in a wide range of applications. This is considered to be a critical development especially for automotive fuel cell applications in order to bring the system cost of an automotive fuel cell system down to the $30/kW cost target set by the U.S. Department of Energy (DOE). The platinum group metal (PGM) electrocatalysts are a major contributor to the system cost. Addressing the technical challenges to PGM-free electrocatalyst and electrode development, therefore, represents one of DOE's most pressing research and development (R&D) priorities. ElectroCat was formed by the DOE as part of the Energy Materials Network (EMN) in early 2016, and shares with other EMN consortia the goal of decreasing the time to market for advanced materials related to clean energy technologies, in the context of increasing U.S. fuel cell electric vehicle (FCEV) manufacturing competitiveness. To accomplish this, the consortium performs core research and development and provides universities and companies streamlined access to the unique, world-class set of tools and expertise relevant to early-stage applied PGM-free catalyst R&D of the member national laboratories. Moreover, ElectroCat fosters a systematic methodology by which prospective catalysts and electrodes are prepared and analyzed rapidly and comprehensively using high-throughput, combinatorial methods. Catalyst discovery is augmented by theory as well as foundational electrocatalysis and materials knowledge at the participating national laboratories. Furthermore, ElectroCat has developed a data sharing framework, requisite of all EMN consortia, for disseminating its findings to the public via a searchable database, to further expedite incorporation of PGM-free electrocatalysts into next-generation fuel cells by advancing the general understanding of the PGM-free electrocatalyst field.

Thompson, Simon T.↗

Session 058 - Panel: Ensuring Strong Return on Investment for DOE EM Technology Development: DOE Views (1/2) (R1.26)

The panel represented the views of US DOE National Laboratories and DOE Contractors and focused on DOE Technology Development Projects discussing how they approach tech development to maximize return on investment. Successful examples were discussed. Panelists with presentations: Ensuring a Strong ROI for DOE EM Technology Development (Jud Virden); The DOE EM Technology Development Technical Assistance Program (Carol Eddy-Dilek); SRR Liquid Waste Technology Development Program: Encouraging Creativity Maximize Return on Investment (Vijay Jain); Ensuring Strong Return on Investment for DOE EM Technology Development: A Vendor Perspective (Martin Williams)

99 GENERAL AND MISCELLANEOUS↗

Computational Tools and Workflows for Quantitative Risk Assessment and Decision Support for Geologic Carbon Storage Sites: Progress and Insights from the U.S. DOE’s National Risk Assessment Partnership

The 2005 Intergovernmental Panel on Climate Change (IPCC) Special Report on CCS raised the profile of CO2 capture and storage (CCS) as an important technology for reducing greenhouse gas (GHG) emissions. CCS is now recognized as a key component of most climate change mitigation scenarios. Since publication of that report the international research, development, and deployment (RD&D) community has advanced key technical aspects, clarified regulatory requirements, explored value chain and infrastructure solutions, and developed incentive paradigms to enable and promote large-scale deployment of CCS. These efforts have included research to better characterize geologic storage resources, to improve injection performance and storage efficiency, to assess and manage subsurface environmental risks, and to advance monitoring technologies to assure system conformance. These efforts have helped to build confidence in the viability of geologic carbon storage (GCS), but stakeholder concerns about long-term risks and liability associated with GCS remain a hurdle to broad acceptance and large-scale deployment of CCS. Since 2010, the U.S. DOE’s National Risk Assessment Partnership (NRAP) – a research collaboration between five contributing national laboratories – has worked to establish and demonstrate methods and tools to quantify and manage the subsurface environmental risks associated with GCS, amidst uncertainty. This work supports the Office of Fossil Energy and Carbon Management Carbon Transport and Storage Program’s goal of advancing safe and secure commercial-scale GCS deployment. To address the technical challenge of simulating the physical response of the GCS site to large-scale CO2 injection, NRAP has adopted an approach that relies on coupling computationally efficient reduced-order and/or data-driven proxy models of important system components (i.e., storage reservoir, sealing caprock, leakage pathways, intermediate formations, overlying groundwater aquifers, and the atmosphere) in integrated assessment framework. That integrated model of the physical system is complemented with fit-for purpose functionality to support site characterization and risk-related decisions. The recently released NRAP Phase II toolset includes the Open-Source Integrated Assessment Model (NRAP-Open-IAM) for evaluation of trends in leakage risk and potential impact, tools to support monitoring design optimization (Designs for Risk Evaluation and Management – DREAM v3.0 and Passive Seismic Monitoring Tool - PSMT), and tools for state of stress evaluation (State-of-Stress Analysis Tool - SOSAT) and forecasting induced seismicity risk. The NRAP team has also released a pair of reports describing conceptual workflows to incorporate physics-based, quantitative risk assessment into many of the design, planning, operation, and closure decisions for GCS projects. An online catalogue highlights published studies where these tools and methods are demonstrated. In this presentation, the utility of these products to assess risks and address key stakeholder questions will be highlighted through examples, and related insights about the safety and security of geologic carbon storage in qualified storage sites will be discussed. The prospect of rapid, large-scale deployment of GCS technology to aggressively reduce anthropogenic CO2 emissions requires careful consideration of interference between multiple commercial-scale storage projects within a basin. Going forward, NRAP is expanding and adapting site-scale risk quantification tools and methods to enable assessment of risks and inform management decisions for basin-scale deployment. Increasingly, this work will leverage next-generation approaches for surrogate modelling, fast prediction, and advanced visualization enabled by machine learning and artificial intelligence to promote virtual learning, scenario evaluation, and augment risk-based decision making.

quantitative risk assessment, geologic carbon stor↗

An Integrated ML/AI Framework for Digitizing, Structuring and Searching DOE U-TRU-Fuels Data with Gap Analysis of Non-DOE Records

The U.S. Department of Energy (DOE) Advanced Fuels Campaign (AFC) is advancing transmutation fuel technologies to reduce long-lived radioactive waste by converting minor actinides into shorter-lived or stable elements through irradiation in sodium-cooled fast reactors. Key experiments such as AFC-1, AFC-2, FUels for the transmutation of Trans-URanium elements In phéniX (FUTURIX)-Fortes Teneurs en Actinides (FTA), and Experimental Breeder Reactor-II (EBR-II) X501 have provided fuel fabrication, irradiation, and performance data on various transuranic-bearing fuel forms. This report documents the creation of an artificial-intelligence assisted database, which has consolidated all DOE-owned data related to Transuranic (TRU)-bearing fuel experiments and stored across it across both the Idaho National Laboratory (INL) Nuclear Data Management and Analysis System and the INL high performance computing (HPC) infrastructure. A dedicated webpage, hosted on the INL HPC system, has been developed to support role-based access and data interaction. The database architecture allows researchers to navigate large, heterogeneous archives with far greater speed and accuracy than manual search and lays the foundation for future expansion into multimodal nuclear materials analysis environments. The database represents a major step towards a nationally integrated fuels database utilizing artificial intelligence tools.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE Network 2025: Network Research Problems and Challenges for DOE Scientists (Workshop Report)

The growing investments in large science instruments and supercomputers by the US Department of Energy (DOE) hold enormous promise for accelerating the scientific discovery process. They facilitate unprecedented collaborations of geographically dispersed teams of scientists that use these resources. These collaborations critically depend on the production, sharing, moving, and management of, as well as interactive access to, large, complex data sets at sites dispersed across the country and around the globe. In particular, they call for significant enhancements in network capacities to sustain large data volumes and, equally important, the capabilities to collaboratively access the data across computing, storage, and instrument facilities by science users and automated scripts and systems. Improvements in network backbone capacities of several orders of magnitude are essential to meet these challenges, in particular, to support exascale initiatives. Yet, raw network speed represents only a part of the solution. Indeed, the speed must be matched by network and transport layer protocols and higher layer tools that scale in ways that aggregate, compose, and integrate the disparate subsystems into a complete science ecosystem. Just as important, agile monitoring and management services need to be developed to operate the network at peak performance levels. Finally, these solutions must be made an integral part of the production facilities by using sound approaches to develop, deploy, diagnose, operate, and maintain them over the science infrastructure.

97 MATHEMATICS AND COMPUTING↗

Extreme Heterogeneity 2018 - Productive Computational Science in the Era of Extreme Heterogeneity: Report for DOE ASCR Workshop on Extreme Heterogeneity

The 2018 Basic Research Needs Workshop on Extreme Heterogeneity identified five Priority Research Directions for realizing the capabilities needed to address the challenges posed in this era of rapid technological change. This report captures the outcomes of that workshop. In the context of extreme heterogeneity, it defines basic research needs and opportunities in computer science research to develop smart and trainable operating and runtime systems, programming environments, and predictive tools that will make future systems easier to adapt to scientists’ computing needs and easier for facilities to deploy securely.

97 MATHEMATICS AND COMPUTING↗

Review of the Scientific Understanding of Radioactive Waste at the U.S. DOE Hanford Site

This paper reviews the origin and chemical and rheological complexity of radioactive waste at the U.S. Department of Energy’s Hanford Site. The waste, stored in underground tanks, was generated via three distinct processes over decades of plutonium extraction operations. Although close records were kept of original waste disposition, tank-to-tank transfers and conditions that impede equilibrium complicate our understanding of the chemistry, phase composition, and rheology of the waste. Tank waste slurries comprise particles and aggregates from nano to micron scales, with varying densities, morphologies, heterogeneous compositions, and complicated responses to flow regimes and process conditions. Further, remnant or changing radiation fields may affect the stability and rheology of the waste. These conditions pose challenges for transport through conduits or pipes to treatment plants for vitrification. Additionally, recalcitrant boehmite degrades glass quality and must be reduced prior to vitrification, but dissolves much more slowly than predicted given surface normalized rates. Existing empirical models based on ex situ experiments and observations lack true predictive capabilities. Recent advances in in situ microscopy, aberration corrected TEM, theoretical modeling across scales, and experimental methods for probing the physics and chemistry at mineral-fluid and mineral-mineral interfaces are being implemented to build robustly predictive physics-based models.

Environmental Molecular Sciences Laboratory↗

I. Final Report for DOE SBIR Phase I Project DE-SC0013795 Final Report for DOE SBIR Phase I Project DE-SC0013795 Microtron-based Compact, Portable Gamma-Ray Source

Microtron-based Compact, Portable Gamma-Ray Source. The objective of Phase I of this project was to produce a conceptual design of a prototype compact microtron electron accelerator, which could be designed, built, and demonstrated in Phase II of the project. The conceptual design study included an analysis of the parameters of the microtron and its components, and the expected performance of the prototype microtron as a source of x-rays and/or RF neutrons in the MeV energy range. The major components of the microtron are the magnet, the accelerating system, the power system, the vacuum system, the control system, the beam extraction system and the targets to produce x-rays (and/or neutrons). Our objectives for the design of the prototype were for it to be compact, cost-effective, capable of producing high intensity x-ray (an/or neutron) fluxes. In addition, the prototype was to be easily assembled and disassembled so that components could be easily replaced. The main parameters for the prototype are the following: the range of electron kinetic energies, the output power, the RF frequency band (X-band, C-band, or S-Band), the type of injection (Type I or Type II), the magnet type, i.e. permanent magnet, electromagnet, or a hybrid combination of permanent and electromagnet. The results of the Phase I study and analysis for a prototype microtron are the following: The electron energy range can be varied from below 6 MeV to 9 MeV, the optimal frequency range is S-Band (2-4 GHz) RF frequency, Type II injection (described below), and the magnet type is the hybrid version. The prototype version will be capable of producing gamma ray doses of ~1800 R/min-m and neutron fluxes of up to ~6 x 10 10 n/s with appropriate targets. The results of the Phase I study and analysis are provided below. The proposed Phase II plan was to demonstrate the prototype at low beam power. In the subsequent Phase III, high power tests would be performed, and the design of commercial versions of microtrons with various energies, sizes and types would be produced and marketed, including a more compact and more portable 6 MeV battery-powered model that more closely meets the requirements in the original FOA topic description. In the course of the Phase I study, we also identified another microtron version, one that was larger (not compact) and more powerful than that of the Phase II prototype, which could serve as an intense source of photo- neutrons, up to 4 x 10 12 n/s for use in nuclear medicine, short-lived isotope production, or other applications. In addition, it could produce gamma dose rates up to 130 kR/min-m with a heavy metal bremsstrahlung target. The results and specifications of this were submitted to IPAC16 (Reference [12]) the paper is included in Addendum B. Because this version was beyond the scope of the Phase I project, there is no additional description in the Final Report.

43 PARTICLE ACCELERATORS↗

Scalable Data Center Capacity for DOE's AI Prototype: A Rapidly Available Gigawatt Data Center for DOE

The multilaboratory Gigawatt Data Center working group was commissioned to identify approaches to rapidly establish federal data centers with scalable capacities up to 1,000 MW. These state-of-the-art facilities will serve as hubs for interdisciplinary collaboration, industry partnerships, and transformative applications of artificial intelligence. The proposed strategic shift includes facilitating multilaboratory collaboration, prioritizing operational efficiency, expanding public–private partnerships, optimizing investments, ensuring long-term contractual flexibility, supporting open science and secure data enclaves, and exploiting high-speed national networks. Owing to their extensive experience and best practices, the US Department of Energy national laboratories are uniquely positioned to lead this initiative. We recommend conducting a feasibility analysis to rapidly identify the optimal sites for this initiative, and the effort will likely involve private industry for design, construction, financing, and operational integration. We also propose establishing multiple geographically diverse sites to ensure energy resilience, high operational reliability, and a diverse user base, thereby effectively addressing the nation’s critical needs.

42 ENGINEERING↗