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At least 109 records · Page 6

Science & Technology Review (April/May 2023)

NASA’s Double Asteroid Redirection Test (DART), featured beginning on p.4, has been a testament to Lawrence Livermore’s multidisciplinary expertise. For DART, the Laboratory developed planetary defense strategies, modeled materials and impacts, and utilized advanced machine learning to create and evaluate multitudes of impact scenarios—informing prediction and analysis of the intercept of a small spacecraft with a much larger asteroid of unknown properties. The success of the project heralds a bright future for space science and security work at the Laboratory.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

High-Performance Low-Cobalt Cathode Materials for Li-ion Batteries

The layer-structured Li[Ni x Co y Mn 1-x-y ]O 2 (NCM) cathode materials have been the best choice for increasing electric vehicle driving distance per charge. The high Ni layered oxide represents successfully commercialized NCM cathodes (such as NCM622 and NCA) in lithium-ion batteries (LIBs) for EV applications due to their high energy density and acceptable cycling stability. However, the price of cobalt, the key element within LIBs for stability, has nearly tripled over the past few years due to increased demand from the cell phone industry. As mentioned in the DOE Funding Opportunity Announcement, the current materials shortage will also cause speculation for a future global shortage. Therefore, to meet the requirement and sustainability of the next-generation long-range and low-cost EVs, developing cathode materials with low-Co content to achieve higher energy density and lower cost is both essential and urgent. The overarching objective of this work is to develop stabilized NCM cathode materials with low Co content (namely LiNi x Co y Mn 1-x-y O 2 , y ≤ 0.04) to meet DOE’s goal of reducing Co loading below 50 mg Wh -1 while maintaining energy density greater than 600 Wh kg -1 based on cathode material. Via various dopings and coatings scalable methods, we explored and enhanced the cycling performance of low-cobalt cathodes. The final obtained NCM cathodes paired with graphite anode aim to deliver batteries with a high initial specific energy density of over 240 Wh kg -1 and a low capacity fading rate of less than 20% in 1000 cycles under a C/3 discharge rate. To accomplish this goal, a multidisciplinary team with several co-investigators has been formed from three organizations: The Pennsylvania State University (PSU), Oak Ridge National Laboratory (ORNL), and Pacific Northwest National Laboratory (PNNL). The PI and co-investigators are Dr. Donghai Wang (PI) from PSU with expertise in the synthesis of nanostructured materials and manipulation of interfacial properties of electrochemically active materials, Dr. Jagjit Nanda, with substantial knowledge of and expertise in state-of-the-art cathodes from ORNL, Dr. Chao-Yang Wang with significant experience in advanced cell design and fabrication and cell diagnostics from PSU, and Dr. Chongmin Wang with world-wide known expertise of advance atomic scale characterization of electrode materials from PNNL. Furthermore, this project will leverage and synergistically work with the current DOE-funded programs on battery materials at PSU and ORNL and electrode materials characterization at PNNL. During this funded period, we have accomplished milestones stated as follows: • Scale up production of LiFePO 4 (LFP) coated NCM811 with a production of 300g/batch. Fifteen (≥2 Ah) pouch cells with LFP-coated NCM811 cathode are delivered. Self-evaluated pouch cells in PSU show superior over 80% capacity retention performance even after 1500 cycles at C/3 rate. • Various cations (Al, Ti, Zr, and Mo) substitute cobalt in low-cobalt partially and Co-free cathodes. Their effects on crystal structure and electrochemical behavior are explored. • Phosphate compounds as coating materials represent promising surface protection precursors for low-cobalt cathode materials. Therefore, several metal phosphates were selected for improving the NMC cycling performance and are regarded as effective approaches for a scalable and practical surface protection method. • Production of NCM92, where Nickel content is 92% among transition metals, is scaled up from synthesis to coating and heat treatment procedures. Fifteen 2.7Ah pouch cells with Ti-doped NCM92 cathodes and industrial graphite anode are delivered to Idaho National Lab for testing.

25 ENERGY STORAGE↗

Aero‐servo‐elastic co‐optimization of large wind turbine blades with distributed aerodynamic control devices

Abstract This work introduces automated wind turbine optimization techniques based on full aero‐servo‐elastic models and investigates the potential of trailing edge flaps to reduce the levelized cost of energy (LCOE) of wind turbines. The Wind Energy with Integrated Servo‐control (WEIS) framework is improved to conduct the presented research. Novel methods for the generic implementation and tuning of trailing edge flap devices and their controller are also introduced. Primary flap and controller parameters are optimized to demonstrate potential maximum blade tip deflection reductions of 21 % . Concurrent design optimization (i.e., co‐design) of a novel segmented wind turbine blade with trailing edge flaps and its controller is then conducted to demonstrate blade cost savings of 5 % . Additionally, rotor diameter co‐design optimization is demonstrated to reduce the LCOE by 1.3 % without significant load increases to the tower. These results demonstrate the efficacy of control co‐design optimization using trailing edge flaps, and the entirety of this work provides a foundation for numerous control co‐design‐oriented studies for distributed aerodynamic control devices.

17 WIND ENERGY↗

Brookhaven Lab Hosts Hackathon Focused on Graphics Processing Units (GPUs)

For five days in June 2017, Brookhaven Lab’s Computational Science Initiative hosted “Brookathon”—a programming workshop where teams of researchers, students, and software developers worked with mentors to accelerate scientific applications on GPUs for high-performance computing.

97 MATHEMATICS AND COMPUTING↗

Aquatic Carbon-Nutrient Dynamics as Emergent Properties of Hydrological, Biogeochemical, and Ecological Interactions: Scientific Advances

Carbon and nutrient dynamics in aquatic systems often emerge as the result of hydrological, biogeochemical, and ecological interactions. Due to the multiscale and multidisciplinary nature of these process interactions, research into aquatic carbon and nutrient dynamics is becoming increasingly interdisciplinary. The motivation for this special issue came from an international workshop titled "Hydro-Biogeochemical Processes: Mechanisms, Coupling, and Impact, " which took place from 27 to 31 October 2015 at China University of Geosciences, Wuhan, China. During this workshop, scientists from various countries and disciplines met to discuss current work and future advances on topics such as the hydro-biogeochemistry of Earth's critical zone, stream-groundwater interaction zones, aquatic ecosystem processes, and dynamics at land-atmosphere, land-ocean, and human-natural interfaces. Contributions to this special issue on "Emergent aquatic carbon-nutrient dynamics as products of hydrological, biogeochemical, and ecological interactions" include papers from authors who attended the workshop and from those who responded to the open solicitation for papers. Finally, our aim in organizing this special issue is to stimulate continued discussion and collaboration across disciplinary boundaries in order to further our collective understanding of aquatic carbon-nutrient dynamics.

54 ENVIRONMENTAL SCIENCES↗

Multidisciplinary Constraints on the Thermal‐Chemical Boundary Between Earth's Core and Mantle

Abstract Heat flux from the core to the mantle provides driving energy for mantle convection thus powering plate tectonics, and contributes a significant fraction of the geothermal heat budget. Indirect estimates of core‐mantle boundary heat flow are typically based on petrological evidence of mantle temperature, interpretations of temperatures indicated by seismic travel times, experimental measurements of mineral melting points, physical mantle convection models, or physical core convection models. However, previous estimates have not consistently integrated these lines of evidence. In this work, an interdisciplinary analysis is applied to co‐constrain core‐mantle boundary heat flow and test the thermal boundary layer (TBL) theory. The concurrence of TBL models, energy balance to support geomagnetism, seismology, and review of petrologic evidence for historic mantle temperatures supports Q CMB ∼15 TW, with all except geomagnetism supporting as high as ∼20 TW. These values provide a tighter constraint on core heat flux relative to previous work. Our work describes the seismic properties consistent with a TBL, and supports a long‐lived basal mantle molten layer through much of Earth's history.

58 GEOSCIENCES↗

Poster - 03: How to manage a nuclear medicine PET-CT for radiation oncology patients

Purpose: Development of an adapted multidisciplinary procedure designed to optimize the clinical workflow between radiation therapy (RT) and nuclear medicine (NM) for a PET-CT located in the NM department. Methods : The radiation oncologist (RO) prescribes the PET-CT exam and the clinical RT therapist gives all the necessary information to the patient prior to the exam. The immobilization accessories are prepared in the RT department. The RT and NM therapists work together for radiotracer injection, patient positioning and scan acquisition. The nuclear medicine physician (NMP) will study the images, draw Biological Target Volumes (BTVs) and produce a full exam report. Results : All tasks related to a planning PET-CT are done within 48 hours from the request by the RO to the reception of the images with the NMP contours and report. Conclusions : By developing a complete procedure collectively between the RT and NM departments, the patient benefits of a quick access to a RT planning PET-CT exam including the active involvement of every medical practitioners in these fields.

60 APPLIED LIFE SCIENCES↗

Above and belowground connections and species interactions: Controls over ecosystem fluxes

The ultimate goal of this work was to quantify soil and volatile organic compound fluxes as a function of tree species and associated mycorrhizal associations in an intact forest, but also to describe the physical and biological factors that control these emissions. The results of this research lay the foundation toward an improved mechanistic understanding of carbon pathways, fluxes, and ecosystem function, ultimately improving the representation of forest ecosystems in Earth System models. To this end, a multidisciplinary approach was necessary to fill a critical gap in our understanding of how soil and root processes may influence whole-ecosystem carbon-based volatile fluxes in the face of a rapidly changing climate. We developed a series of novel sampling protocols and coupled a variety of advanced analytical techniques, resulting in findings relevant across disciplines. Furthermore, we leveraged existing infrastructure, research sites, and datasets to design a low-cost exploratory project that links belowground processes, soil volatile emissions, and total ecosystem carbon budgets. Measurements from soil collars installed across a species/mycorrhizal gradient at the DOE-supported Moran Monroe State Forest Ameriflux tower site suggest that leaf litter is the primary source of belowground and forest floor volatile emissions, but the strength of this source is significantly affected not only by leaf litter type, but the strength of the soil as a sink. Results suggest that the strength of the sink is influenced by tree species-specific associated microbial communities that change throughout the season as a function of temperature, soil moisture, leaf litter inputs, and phenology. The magnitude of the observed volatile fluxes from the forest floor is small relative to total aboveground ecosystem flux, but the contribution of these emissions to volatile-mediated ecological interactions and soil processes (e.g. nitrification) varies substantially across the growing season. This research lays the foundation to answer important questions regarding the impacts of seasonality and forest composition on belowground volatile source-sink dynamics in mediating nutrient cycling and biogeochemistry dynamics—critical components of overall ecosystem functioning. In collaboration with the Environmental Simulations Unit (EUS) at the Helmholtz Zentrum in Munich, Germany (headed by Prof. Dr. Joerg-Peter Schinitzler), we investigated carbon investment in above and belowground plant volatile compounds in response to environmental conditions and mycorrhizal associations. Using the sophisticated phytotron facility and on-line trace gas instruments, we conducted controlled laboratory experiments that showed that biotic stresses, such as herbivore feeding, can alter the magnitude of belowground volatile emissions as well as carbon allocation towards these volatiles. We saw no effect of mycorrhizae on any induced response, suggesting that microbial effects were unrelated to source-sink dynamics driving terpene emissions. Furthermore, the results suggest that even though enzyme activity responsible for root volatile synthesis is up-regulated following herbivory, the sink strength of the soil can significantly impact what is measured at the soil/atmosphere interface and thereby what enters the atmosphere. This is important as scientists may be underestimating the magnitude of belowground volatile emissions and their influence on belowground interactions due to limitations associated with current sampling techniques. These key findings are being integrated with results from a hydroxyl radical reactivity-VOC campaign and a late season litter removal experiment to offer a comprehensive mechanistic understanding of the sources and controls over soil volatile emissions, particularly during times of the year when vegetative aboveground emissions are low (leaf senescence). Ultimately, these coupled field and laboratory experiments offer insights into seasonal dynamics of volatile emissions and the mechanisms that control carbon allocation to these compounds with an eye towards improving carbon budgets, nutrient cycling, and terrestrial ecosystem models.

54 ENVIRONMENTAL SCIENCES↗

Los Alamos National Laboratory RD 2015 Profile

A vital, multidisciplinary national security science laboratory, Los Alamos National Laboratory applies science and technology to help solve the nation’s toughest challenges. Outstanding science is the foundation for the past, present, and future. A rich variety of research programs directly and indirectly support the Laboratory’s basic mission: to ensure the safety, security, and reliability of the nation’s nuclear deterrent; reduce global threats; and solve emerging national security energy challenges. The Laboratory also works on nuclear nonproliferation and border security, energy and infrastructure security, and measures to counter nuclear and biological terrorist threats.

99 GENERAL AND MISCELLANEOUS↗

Authorship in Radiation Oncology: Proliferation Trends Over 30 Years

Purpose: To investigate authorship trends in the radiation oncology literature. Methods and Materials: We examined the authorship credits of “original research articles” within 2 popular radiation oncology journals–International Journal of Radiation Oncology, Biology, Physics and Radiotherapy and Oncology–in 1984, 1994, 2004, and 2014. We compared the number of authors per publication during these 4 time periods using simple linear regression as a test for trend. We investigated additional author characteristics in a subset of articles. Results: A total of 2005 articles were eligible. The mean number of authors per publication rose from 4.3 in 1984 to 9.1 in 2014 (P<.001). On subset analysis of 400 articles, there was an increase in the percentage of multidisciplinary bylines (from 52% to 72%), multi-institutional bylines (from 20% to 53%), and publications with a trainee first author (from 16% to 56%) during the study period. Conclusions: The mean number of authors per publication has more than doubled over the last 30 years in the radiation oncology literature. Possible explanations include increasingly complex and collaborative research as well as honorary authorship. Explicit documentation of author contributions could help ensure that scientific work is credited according to accepted standards.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

FY 2017 Site Sustainability Plan

For more than 50 years, the United States (U.S.) Department of Energy’s (DOE’s) Pacific Northwest National Laboratory (PNNL) has advanced the frontiers of science and technology through courageous discovery and innovation. Our multidisciplinary team of more than 4,400 scientists, engineers, and support professionals is tackling global sustainability challenges in our science, energy, environmental, and security missions. For example, our research on how human and natural systems interact is critical to informing sustainable solutions to the nation’s energy and environmental challenges. PNNL is equally committed to sustainability right here at home, and we are making excellent progress toward the goals described in this plan. We are working on ongoing challenges, such as reducing the energy required to meet our research mission and promoting conservation among our employees.

99 GENERAL AND MISCELLANEOUS↗

PNNL 2017 Richland Campus Master Plan

Based in Richland, Washington, Pacific Northwest National Laboratory (PNNL) is one of 10 United States (U.S.) Department of Energy (DOE) Office of Science (SC) national laboratories. PNNL is DOE’s premier chemistry, earth sciences and data analytics Laboratory, delivering vital mission impacts in energy resiliency and national security. PNNL has 19 core capabilities, each a powerful combination of world-class staff, state-of-the-art equipment, and mission ready facilities. These capabilities represent a collective set of skills and a body of world-leading scientific and engineering work that provides exceptional value and mission delivery to DOE, the National Nuclear Security Administration (NNSA), the U.S. Department of Homeland Security (DHS), and the missions of other federal agencies and industry through strategic partnership projects. Operated by Battelle Memorial Institute (Battelle), PNNL has more than: 2.3 million gross square feet and 4,400 staff members. PNNL is implementing a rolling 10-year campus strategy (initiated in FY 2013) designed to deliver the foundation for the multidisciplinary science and engineering expertise, equipment, instrumentation, facilities, and infrastructure required to continue providing exceptional value and mission delivery. PNNL’s annual ten-year plan is published with SC’s Ten-Year Plans for the Science National Laboratories. The most recent publication is available at: https://science.energy.gov/lp/laboratory-planning-process/. This edition of the PNNL Richland Campus Master Plan (CMP) is an update to the 2012 CMP.

99 GENERAL AND MISCELLANEOUS↗

Scalable fault tolerance runtime technology for petascale computers (Final Project Report)

With the massive number of components comprising the forthcoming petascale computer systems, hardware failures will be routinely encountered during execution of large-scale applications. Due to the multidisciplinary, multiresolution, and multiscale nature of scientific problems that drive the demand for high end systems, applications place increasingly differing demands on the system resources: disk, network, memory, and CPU. In addition to MPI, future applications are expected to use advanced programming models such as those developed under the DARPA HPCS program as well as existing global address space programming models such as Global Arrays, UPC, and Co-Array Fortran. While there has been a considerable amount of work in fault tolerant MPI with a number of strategies and extensions for fault tolerance proposed, virtually none of advanced models proposed for emerging petascale systems is currently fault aware. To achieve fault tolerance, development of underlying runtime and OS technologies able to scale to petascale level is needed. This project has evaluated range of runtime techniques for fault tolerance for advanced programming models.

97 MATHEMATICS AND COMPUTING↗

2021 Annual Report: Atmospheric Radiation Measurement

In fiscal year 2021 (FY2021), the COVID-19 pandemic continued to have an impact on activities within the Atmospheric Radiation Measurement (ARM) user facility. Travel was limited, which affected field activities and forced the continuation of virtual meetings. However, the ability to travel expanded significantly through the year, bringing some return to normalcy, and throughout the year, there was a great deal of activity dedicated to advancing the facility. Because of COVID, ARM twice delayed the TRacking Aerosol Convection interactions ExpeRiment (TRACER) in the Houston, Texas, area. Originally planned to launch in the spring, TRACER started October 1, 2021, one month after the Surface Atmosphere Integrated Field Laboratory (SAIL) campaign began near Crested Butte, Colorado. ARM teams worked onsite and remotely to make sure both campaigns could launch on this new schedule that was set early in the year. Data from SAIL and TRACER will be critical to improving earth system models, each contributing to different sets of issues. SAIL measurements will provide insights into how precipitation forms and water travels through the Upper Colorado River Basin. TRACER scientists want to know whether tiny atmospheric particles can influence the severity of thunderstorms. In October 2020, the Multidisciplinary Drifting Observatory for the Study of Arctic Climate (MOSAiC) expedition ended after 13 months. MOSAiC data from ARM and other organizations are already helping scientists better understand how ice, atmosphere, and ocean systems are connected in the central Arctic. This report discusses some early investigations from MOSAiC, along with other ARM campaigns and activities generating prolific research. In this report, you will also learn how research activities moved forward during the pandemic at ARM’s fixed-location atmospheric observatories. There were important science applications from measurements across the facility. ARM spent a significant amount of FY2021 looking back—and ahead. In November 2020, ARM had its Triennial Review. This review is held every three years to evaluate ARM’s effectiveness in science, operations, and management. Overall, the reviewers had positive feedback regarding the breadth and impact of science activities using ARM data and the way ARM strives to meet changing user needs. The reviewers also provided some recommendations for strengthening ARM going forward. Incorporating feedback from the review, we finalized an updated Decadal Vision document that will help guide ARM priorities in the coming years. This report describes the four themes driving ARM’s Decadal Vision.

54 ENVIRONMENTAL SCIENCES↗

The TRANSCEND University Consortium: An Overview - 20106

The UK government is committed to nuclear energy having an important role in delivering a secure, low-carbon and affordable energy future. Projections indicate that between now and 2035, ∼14 GW of new nuclear generating capacity may be built. Successful delivery of this strategy recognises the need for research and development, skills development and international collaboration as key enablers. One key area is the decommissioning and clean-up of all civil nuclear licensed sites and the implementation of geological disposal of highly active wastes, with a central component being a joined-up approach to nuclear R and D across government, industry and academia which benefits the UK economy and ensures the security of supply. Essential to public acceptance of this strategy remains a demonstrable ability to safely manage and dispose of waste, with acceptance directly linked to having scientifically robust routes for its safe clean-up and disposal. There therefore remains an ongoing need for further research in the areas of decommissioning, immobilisation and management of nuclear waste, and there is significant government and stakeholder support for such research. Given the needs of both new nuclear power generation and legacy wastes, there is a requirement to develop innovative approaches to waste management and decommissioning. Following on from earlier, highly successful projects supported by UK Research and Innovation's Energy Programme, the work of the TRANSCEND (Transformative Science and Engineering for Nuclear Decommissioning) consortium is part of the response to these needs, providing support to a strong and internationally leading group of researchers in this key technology area. The consortium is a collaboration between 11 universities, supported by 8 key industry partners, with a total funding of UK Pounds 9.5 M from the UK Engineering and Physical Research Council, the universities and key project partners. The research being carried out is multidisciplinary and covers both fundamental and applied topics, with 40 research projects clustered in four technical themes: integrated waste management; site decommissioning and remediation; spent fuels; and nuclear materials. Key aims of the consortium are to extend and further develop a relevant academic skill base in the UK associated with the needs of nuclear waste management and decommissioning, to train the next generation of UK researchers, equipping them with skills and experiences relevant to nuclear waste management and decommissioning issues, and to carry out cutting-edge research that has the potential to provide new and innovative pathways to better management of both legacy and future nuclear wastes. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Overview of the NASA space radiation laboratory

The NASA Space Radiation Laboratory (NSRL) is a multidisciplinary center for space radiation research funded by NASA and located at the Brookhaven National Laboratory (BNL), Upton NY. Operational since 2003, the scope of NSRL is to provide ion beams in support of the NASA Humans in Space program in radiobiology, physics and engineering to measure the risk and ameliorate the effect of radiation in space. Recently, it has also been recognized as the only facility in the U.S. currently capable of contributing to heavy ion radiotherapy research. Finally, this work contains a general overview of NSRL structure, capabilities and operation.

43 PARTICLE ACCELERATORS↗

Multidisciplinary Design, Analysis, and Optimization (MDO) for Co-Designed Transmission & Distribution Electric Grid Planning

This paper describes early experiences and example use cases applying multi-disciplinary design analysis and optimization (MDO) to the integrated design of power grids. Adapted from aerospace, MDO enables combining multiple existing tools into a coordinated optimization. Here we use MDO to simultaneously capture integrated transmission-distribution and investment-engineering trade-offs in an automated framework. Example use cases showcase prototype interactions among existing grid models using MDO and hint at the types of integrated analyses enabled by this approach. In addition, we share experiences and thoughts on grid-specific challenges and opportunities to help advance further work in this area.

24 POWER TRANSMISSION AND DISTRIBUTION↗