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At least 217 records · Page 12

Manipulating and Probing Ultrafast Atomic and Molecular Dynamics (Final Report)

This program has focused on the exploration and control of dynamics in atoms, small molecules, clusters, and micro- or nano-structures following ultrafast excitation and/or driven by strong oscillating fields. In our principal experiments, gas phase atoms and molecules were exposed to short pulses of electromagnetic radiation with frequencies ranging from THz into the XUV spectral regions, and with durations from picoseconds to attoseconds. The pulses coherently induce and/or probe dynamics in the electronic, vibrational, and rotational degrees of freedom of the targets. The overarching goal of the various projects has been to exploit strong-field processes and/or implement novel ultrafast techniques for manipulating and probing coherent electronic and nuclear motion. Typically, the relevant system evolution occurs over attosecond to picosecond timescales. In doing so, we have gained a more complete picture of correlated multi-particle dynamics in atoms, molecules, and other complex systems and expanded the toolbox of useful techniques for manipulating and probing those dynamics. Grant funds were primarily used to: (i) pay salaries and fringe benefits for the PI and postdocs and stipends, tuition, and health care costs for graduate students; (ii) cover travel expenses for the PI, postdocs, and students to attend and participate in professional meetings, conferences, and workshops; and (iii) purchase research materials, supplies, and equipment required for experiments. The research resulted in the publication of 24 peer reviewed articles (including 1 in Nature Physics, 2 in Nature Communications, 7 in Physical Review Letters, and 12 in Physical Review A), and 4 PhD dissertations. The specific results from different funding periods are summarized separately in the main report.

74 ATOMIC AND MOLECULAR PHYSICS↗

High Energy Experimental Research Effort: Intensity Frontier Physics with Liquid Argon Time Projection Chambers (Final Technical Report DE-SC0017925)

The proposal “University of Florida High Energy Physics Intensity Frontier Research: Liquid Argon Detectors” requested one year of funding support for the PI, one postdoc and one graduate student to start their involvement in ongoing and upcoming experiments that use Liquid Argon Time Projection Chambers (LAr TPCs) to reconstruct neutrino interactions. Specifically, it was proposed that the group join the Short Baseline Near Detector (SBND) at Fermilab and that the PI continue their involvement in the Deep Underground Neutrino Detector (DUNE).

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

West Virginia University Industrial Assessment Center (Final Progress Report)

The Industrial Assessment Center at West Virginia University has been successful in workforce development, and in generation of energy savings for manufacturing facilities during the period 2016 to 2021. Graduate and undergraduate students have benefited from energy assessment experience and most of them have found good positions as energy engineers and analysts in the industrial sector. Several peer reviewed research papers in archival journals as well as conference papers on the topic of energy engineering and assessment have been published. The implemented energy savings for manufacturing facilities have been significant in the areas of lighting, compressed air, process heating, steam, HVAC, chillers and cooling towers, and motors. In addition, water use reduction, smart manufacturing applications to save energy, cyber security evaluation, energy management, productivity improvements and waste reduction opportunities that lead to energy intensity reductions have been explored. The students have obtained an opportunity to interact with energy efficiency and productivity improvement professionals at various conferences and workshops and their research has generated important results. In summary, the West Virginia University Industrial Assessment Center (WVU-IAC) has fulfilled its mission in regard to workforce development, energy efficiency for manufacturing facilities, and laid a strong platform enhancing sustainability through reductions in carbon emissions achieved through energy efficiency and energy management initiatives and reductions in water usage and waste reduction. During the project period (2016-2021) the WVU-IAC has made numerous energy efficiency, water use reduction, waste reduction, and productivity improvement recommendations, a significant number of them having been implemented by the manufacturing facilities. The research adds significant understanding to the area of energy efficiency, water and waste reduction, and productivity improvement. The technical effectiveness and economic feasibility of the methods and techniques investigated and demonstrated through this project have been exemplary, resulting in significant recommended and implemented resource savings and reductions in carbon emissions. The project has been of significant benefit to the public owing to replication of results within the industrial sector, thus reducing operating costs for businesses that result in increase of growth and employment, as well as community benefits in terms of reductions in carbon emissions.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Nuclear Forensics

Nuclear forensics is a key part of the nuclear security strategy for the United States and the international community. The NACS Division is central to the leadership role that LLNL has had in nuclear forensics over the past 25 years. Our current nuclear forensic program includes conducting R&D on provenance and attribution signatures, collaborating with international partners, training the next generation of nuclear forensic experts, developing test materials for verification and validation exercises, and providing expert advice to national and international policy makers. Key to our success in these areas has been the strong and continuing involvement in nuclear forensic casework obtained through law enforcement and intelligence channels as well as our outstanding analytical capabilities. NACS must continue to conduct forward-thinking R&D in nuclear forensics that supports operational programs and addresses intelligence gaps. To maintain leadership in nuclear forensics, we must attract, develop, and retain the best talent. The NNSA has a central leadership role in developing educational initiatives for nuclear forensics. In concert with the Glenn T. Seaborg Institute, the NACS Division will continue to participate in all nuclear forensic educational initiatives (undergraduate, graduate, postdoctoral) and incorporate LLNL’s D&I vision into its student and postdoc recruitment efforts. We will continue to build formal relationships with key academic partners and institutions with active and emerging nuclear forensic research interests. We will also strengthen relationships with NNSA DNN and SSAA funded university consortia (e.g. NSSC, ACE, CNEC, CVT, ETI, MTV), helping them conduct research of interest and relevance to nuclear forensics, while at the same time evaluating and recruiting promising talent from these programs.

07 ISOTOPE AND RADIATION SOURCES↗

Oklahoma State University – Industrial Assessment Center (Final Report)

Our first primary objective is to provide industrial assessments to clients in Oklahoma, Arkansas, Kansas, and north and northwest Texas, including the Texas Panhandle (about 10% of the state of Texas). This geographical region extends about 400 miles north and south and about 600 miles east and west. In addition, the partnership links two universities, Oklahoma State University (OSU) and Wichita State University (WSU) within our region together in a significant collaboration focused on improving our region’s industrial competitiveness. Our second primary objective is to produce competent, motivated energy engineers. Student training will be a combination of classroom work, individual mentoring, and on-the-job training. The focus will be on energy conservation technologies, in conjunction with increased productivity, the economics of the same, and client relationships including client recruiting, on-site assessment, reporting, and client-related communications. Finally, we will work to provide resources and expertise to complement the first two primary objectives. The effectiveness and efficiency of our IAC will be measured, internally, by four broad criteria: (1) client benefits, (2) student development and acceptance after graduation, (3) regional/national contribution to lowering energy use and reducing pollutants, and (4) compliance with DOE/FM requirements. Client-related benefits include client contacts, timeliness of assessments and reports, the value of recommendations provided, and the value of recommendations implemented. Student development includes many students trained and the level of training provided in energy, waste, and productivity-related technologies as well as teamwork and communication skills. The contribution to lower national energy use and waste production is a natural outcome of the program. Compliance with DOE/FM requirements includes timeliness of reports, participation in Best Practices activities, contributions to EERE goals and objectives, and other requirements as communicated to the IAC.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Fundamental Studies of Complex Oxides and Their Interfaces

This is a final close-out report for DOE contract DE-FG02-00ER45818 entitled “Fundamental Studies of Complex Oxides and their Interfaces” at the University of Missouri, Columbia, Missouri. It funded research in Condensed Matter Physics Basic Energy Science from July 1, 2000 through Nov 30, 2022. Presented below are: (i) An overview of the research accomplishments during the entire grant period with highlights of research results from the last funding period, (ii) A list of postdocs and graduate students that received support from this grant, and (iii) A list of original papers published through the duration of the grant with impact factor metrics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Shared Mobility Data Availability and Usage Trends

In this report, we summarize data availability of new shared mobility technologies by mobility type and region and analyze how shared mobility usage varies by time and by demographic factors in the United States. The shared mobility technologies include ridehailing from transportation network companies (TNC), bikeshare, and scooter share. There is a wide range in shared mobility usage per capita across the country, even within urban areas. We observe that there was steady growth of new shared mobility usage from 2015 to early 2020, before COVID-19 reduced overall ridership. An analysis focused on Chicago shows that despite the availability of good public transportation, high usage of new shared mobility modes is centered in high income communities, especially by households who own less vehicles. However, we find that TNC is used for first-mile and last-mile in lower income communities. Analysis on the bikeshare usage also shows that household income is shown to not be a statistically significant factor when accounting for other factors including employment density, population density, percentage of college graduates, and bike-lane proximity.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Outflow from Post-Black Hole-Neutron Star Merger Disks [Poster]

Histograms of mass of a given ratio of electron to baryon number in winds from a post-merger disk for four disks of different masses. This ratio determines how many elements heavier than iron, if any, are produced by a black hole-neutron star merger event. Analysis performed by PhD student Sanjana Curtis (NCSU, now graduated) on Capulin in collaboration with her advisor, Carla Frohlich, and LANL staff Jonah Miller.

79 ASTRONOMY AND ASTROPHYSICS↗

Magnetic Turbulence in Post-Merger Accretion Disks

Magnetic Field in the azimuthal (orbital) direction in an accretion disk formed after the in-spiral and merger of two neutron stars. Color is magnetic field strength (in code units). X-axis is time in seconds and y-axis is dimensionless height in the disk, in units of scale height. The characteristic butterfly pattern indicates onset of the magnetohydrodynamic dynamo and the magnetorotational instability. Simulations performed by graduate student Kelsey Lund working with LANL scientists Jonah Miller and Matt Mumpower and PhD advisor Gail McLaughlin at North Carolina State University

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Industrial Assessment Center – integration of education and practice. Final progress report

The goal of the DOE’s Industrial Assessment Center (IAC) program is twofold: first, to help US manufacturing competitiveness by providing assessments and recommendations for small and medium-sized enterprises (SMEs) on energy efficiency, productivity, sustainability and competitiveness – including measuring the impacts of these recommendations on reducing greenhouse gas emissions; and second, to address a growing shortage of engineering professionals with applied energy and manufacturing-related skills by training a diverse cross-section of engineering students through hands-on involvement in these assessments. IUPUI has an IAC, which was established in 2011, in the Department of Mechanical and Energy Engineering, Purdue School of Engineering and Technology, IUPUI. The IAC has won the awards twice. We have built the center that has the expertise and infrastructure for quality energy assessments to manufactures and commercial building owners and aligned our current research and teaching activities to the DOE’ training mission with programs to train the next generation of industrial energy efficiency experts, with theory and hands-on experience in conducting energy assessment for small and median manufacturing enterprises. We have made recommendations that have the potential to save about $20M annually. We also initiated research projects to meet DOE priorities, specifically in the areas of smart manufacturing and cybersecurity. On the energy assessment side, the Center has provided energy assessments to 144 qualified companies, primarily located in Indiana. On the training side, the center has trained students in various programs, such as the department’s Bachelor of Science (BS) programs in Mechanical Engineering (ME) and BS in Energy Engineering (EEN), both are ABET accredited engineering programs, as well as a graduate level Energy Management and Assessment certificate program. At the present, the center has trained 95 students, 43 or them received the DOE issued certificates. Research projects were developed within the center to advance energy efficiency related technologies, which provided excellent opportunities for our trainees. The center has also been building a professional network with utilities, Manufacturing Extension Partnership (MEP), government agencies, and manufacturing companies, to increase our client base and promote collaborations. The center received the 2019 Center of Excellence of the Year Award and three students received the “Outstanding Achievement in Energy Engineering by an IAC Student” awards in the past five years.

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AI-Enabled Robots for Automated Nondestructive Evaluation and Repair of Power Plant Boilers. Final Report

Boiler failure could cause loss of life and safety issues, cost hundreds of thousands of dollars in equipment repairs, property damage and production losses, and drive up the cost of electric power. Boiler maintenance is challenging and risky for inspectors working on scaffolding in confined hazardous spaces inside of a boiler and sometimes the space is hard to access. The operation is also time-consuming due to the large area of vertical structures for inspection and the tremendous effort needed for scaffolding. Recently, the use of robotics (e.g., drones and crawlers) in power plants for maintenance is growing rapidly. However, the existing robotics solutions show two notable technological gaps: no live repair capability, and no Artificial Intelligence (AI) for smart autonomy. The objective of this project is to develop an integrated autonomous robotic platform that is equipped with compact non-destructive evaluation (NDE) sensors to perform live inspection, operates onboard repair devices to perform live repair, and uses AI for intelligent data fusion and predictive analysis for automated and smart spatiotemporal inspection, analysis and repair of the furnace walls in coal-fired boilers. The approach to achieve the objective includes developing NDE sensors with signal processing techniques, designing and evaluating repair devices for robots based on fusion and solid-state technologies, and an autonomous robotic platform that can attach to and navigate on boiler furnace walls using magnetic drive tracks. The robot is also powered by AI to automate data gathering (e.g., 3D mapping and damage localization) and predictive analysis. This project has advanced the state-of-the-art by providing technological breakthroughs including compact NDE and repair tools for robots, AI capabilities for smart autonomy, and a robotic platform for automated boiler maintenance. This project has great potential to result in significant benefits including limiting or eliminating the need to send operators to assess difficult-to-access or hazardous areas, enabling automated live inspection and repair, avoiding time consuming scaffolding (especially for partial maintenance during unplanned outage), collecting comprehensive and well-organized data smartly, and avoiding or limiting the need for onsite or remote piloting technicians. The impacts can be tremendous in terms of the time and cost savings, reducing the risk for human operators, and increasing boiler reliability, usability, and efficiency. In addition, by developing the new technologies on the autonomous inspection and repair robot, by involving multiple undergraduate and graduate students working together with the faculty members on this project, and by generating knowledge and building up collaborations with industrial partners, this effort will significantly update the education capabilities, support long-term fundamental research, and maintain the leadership of Colorado School of Mines and Michigan State University in energy fields.

20 FOSSIL-FUELED POWER PLANTS↗

The Early Career Research Program Annual Progress Report: Using ARM Data and Multiscale Models to Advance the Understanding of Liquid-Phase Cloud Response to Aerosol Perturbation over Ocean and Land

This report is for the first fiscal year of this ECRP project. This ECRP project aims to study the response of liquid-phase clouds to aerosol perturbation and reduce the related uncertainty in the DOE Earth system model. During this fiscal year, this project mainly made progress on the tasks about observational analyses for Objective 1; and successfully set up two Large-Eddy Simulation (LES) models for Objective 2. A postdoctoral researcher and a graduate student summer intern are on board and fully dedicated to this project. In addition to internal collaboration within LLNL, this project has routinely maintained external collaboration with scientists from universities, NASA Langley Research Center, and other DOE national laboratories. For the next reporting period, we plan to complete the tasks scheduled for the second year. Furthermore, we will promote the findings to communities of interest and proactively seek new collaborations to increase the impact of this project.

54 ENVIRONMENTAL SCIENCES↗

Laboratory Directed Research and Development Program Activities (LDRD 2021 Annual Report)

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 2021, in fulfillment of that requirement. In FY 2021, the BNL LDRD Program funded 68 projects, 24 of which were new starts, at a total cost of $17.1M. The investments that BNL makes in its LDRD program support the Laboratory’s strategic goals. BNL has identified six 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 six scientific initiatives are: (1) Nuclear Physics: The Electron Ion Collider, (2) Clean Energy and Climate, (3) Quantum Information Science and Technology, (4) Discovery Science Driven by the Human-AI-Facility Integration, (5) High Energy Physics: Building for Discovery, and (6) Accelerating Isotope Production: Ensuring the Nation’s Supply is Secure. The funded projects support BNL’s six 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 80 postdoctoral researchers and graduate students in whole or in part and resulted in 136 publications and 3 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.

07 ISOTOPE AND RADIATION SOURCES↗

Cooperative Research and Development Agreement between National Energy Technology Laboratory and University of Kentucky (Abstract)

The National Energy Technology Laboratory (NETL) and University of Kentucky (Participant) will collaborate in the development of “Deep Learning Potential-based Molecular Dynamics Simulation Investigation of Chemical Conversion-Absorption Coupling of CO 2 at Air-Reactive Deep Eutectic Solvent Interface.” This project is supported by DOE-Office of Science Graduate Student Research (SCGSR) program and managed by Oak Ridge Institute for Science and Education (ORISE). Deep eutectic solvents (DESs) are promising alternative sorbents for direct air capture (DAC) CO 2 due to their low vapor pressure, low corrosion, non-toxicity, relatively low cost, and biodegradable nature. Understanding the CO 2 reaction-transport mechanisms at the interface can help develop cost-effective DAC by DESs with high capacity and stability. The collaboration will investigate the absorption and chemical conversion of CO 2 at the air-DES interface to facilitate the development of novel DAC technology using reactive DESs. The anticipated results will make DAC more efficient, allow more sustainable use of our Nation’s fossil energy resources, and advance NETL’s ongoing CO 2 capture efforts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

University Pipeline (with UNM) for Criticality Safety Professionals [Slides]

The scope of the University Pipeline is to provide students with knowledge of NCS and to inspire students to pursue a career in NCS after graduation. There are several benefits of the University Pipeline: reduced training time and costs; interested students that naturally self-sort and pursue the discipline at the university level; and a pipeline of criticality safety candidates readily available within the DOE Complex so that unexpected organizational or mission changes can be reacted to with increased agility.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

CRADA Number NFE-18-07313 with Nth Cycle, Inc. (CRADA Final Report)

Cooperative Research and Development Agreement (CRADA) NFE-18-07313 between Oak Ridge National Laboratory (ORNL) and Nth Cycle Inc. focused on developing a technology for sustainable recycling of rare earth and specialty metals (e.g., Y, Co, Li; RESE), as well as bulk and precious metals from industrial manufacturing and waste streams through the use of electrochemical carbon nanotube-enabled filters. The project outcome was expected to be a stronger mechanistic understanding of the electrochemical recovery of metals from real manufacturing process streams and e-waste streams, and the development of an optimized high-throughput pilot-scale device ready for commercialization. Testing, design, and development of a v1 prototype to prove the technology was unsuccessful (we were not able to reach the go/no-go outlined in Objective 1) and we were unable to continue our redesign due to COVID-19 lockdown and no access to lab from March 2020 – until our graduation from the program.

36 MATERIALS SCIENCE↗

Theoretical Particle Physics in the Data-Driven Era (Final Report)

DOE award DE-SC0021447 supports theoretical research in high energy physics. PI and students are not a part of any experimental collaboration, even if some works were done in collaboration with experimental colleagues. All research products are in the form of research articles and they are publicly available under inspirehep.net and arxiv.org, which are typical publication methods in high energy physics. No invention or patent is involved with this research. No equipment or hardware is involved with the research under this award. Research outcomes are used by colleagues in high energy physics, including both theorists and experimentalists. Therefore the outcome of research topics under this award supported the High Energy Physics experimental research program, both in understanding the data and in finding new directions for experimental exploration. The research materials are used to train undergraduate students, graduate students and postdoctoral scholars. We summarize research activity under this award in the following section and major products are listed in section 3. Section 4 contains professional presentations given by PI. Other products developed during the award period are in section 5. Students’ activities are summarized in section 6.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

High Temperature Optocoupler for 3D High Density Power Modules

The goal of this proposed research is to develop a reliable high-temperature optocouplers, which can operate at 250°C with at least ten-year lifetime, and replace isolation transforms as the galvanic isolation solution for the 3D integration of high density power modules. The electrification of future transportations (i.e., electric vehicles) will continuously drive the demand for high density power modules. Optocouplers (i.e., packaged light emitter and detector) as a promising candidate to replace bulky isolation transformers are highly desirable to facilitate the continuous scale-down of gate driver circuitry that will lead to 3D high density power modules and achieve disruptive performance in terms of thermal management, power density, power efficiency, reliability and operating environments. However, regular semiconductor optoelectronic materials and devices have significant difficulty functioning in the harsh environments designated for high density power module usage (such as operation at high temperatures). Ultimately, it is not the intrinsic properties of power devices that prevent their use at higher temperatures, but rather the low voltage electronics needed to drive them and the packaging that surrounds them. The typical operating temperature for optocouplers is only up to 100°C, due to the limitations of light emitting diode (LED) devices inside and packaging materials. A systematic characterization methodology will be developed to analyze the performance, lifetime and reliability of LED devices and distinguish multiple failure mechanisms at high temperatures. An original methodology of “design for reliability” will be developed to design the optoelectronic devices with high reliability and long lifetime at high temperatures. A new architecture of high temperature high reliable optocouplers will be developed, fabricated and demonstrated with continuous operating at 250°C. The development of efficient, reliable high density 3D power modules is the foundation for energy efficiency and energy reliability. Enabled with advanced 3D integration and packaging technologies, high density power module solutions can achieve much more superior performance over the conventional discrete solutions in terms of efficiency, thermal management and power density. The proposed concept of high temperature optocouplers as the galvanic isolation solution for high density power modules will bring together interdisciplinary research involving the wide bandgap materials, optoelectronics, high reliable device design, electronics packaging and power modules. A streamline of skilled personnel would be trained including graduate and undergraduate students, local engineers and scientists which are in great demand to both academia and optoelectronics industry. The proposed research topics, such as, solid state lighting and high temperature device reliability, are currently of major interest at the Department of Energy, in particular, Sandia National Laboratories. This project can enhance collaborations between the University of Arkansas (UA) and Sandia National Laboratories. The findings of the proposed research are expected to be integrated into high density 3-D power modules at the Engineering Research Center for Power Optimization for Electro-Thermal Systems (POETS).

42 ENGINEERING↗