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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 127 records · Page 7

Environmental fate of radiocesium in biota inhabiting a contaminated ecosystem on the U.S. Department of Energy's Savannah River Site

Although biomagnification of radiocesium ( 137 Cs) has been reported in food webs, most previous research has been limited to select trophic linkages. Few studies have included a comprehensive survey of fauna associated with aquatic, semi-aquatic, and terrestrial habitats within a single study framework. The objectives of this study were to advance our understanding of the dynamics of 137 Cs accumulation within food webs by quantifying 137 Cs activity across a wide range of biota found within a contaminated canal, as well as test the hypothesis that life-stage and body size influence 137 Cs bioaccumulation in select herpetofauna. With extensive sampling across multiple taxa collected from a contaminated canal system and associated floodplain on the Savannah River Site, we assessed 137 Cs activity and stable nitrogen isotopes for both aquatic organisms that were restricted to the contaminated effluent canal, and semi-aquatic organisms able to move freely between the contaminated canal and the adjacent uncontaminated terrestrial habitat. We found 137 Cs activity to be highly variable among species, with evidence for and against biomagnification in semi-aquatic and aquatic organisms, respectively. Furthermore, 137 Cs activity decreased with life stage and body size in bullfrogs (Lithobates catesbeianus), despite post-metamorphic bullfrogs having a more carnivorous diet compared to tadpoles, while cottonmouths (Agkistrodon piscivorus) retained similar 137 Cs activity regardless of their age and size. While evidence of biomagnification has been observed in some contaminated systems, results of our study suggest the extent to which 137 Cs biomagnifies within food webs is context-dependent and likely influenced by a suite of biotic and abiotic factors. Further, our data indicate sampling of a broad suite of species and environmental attributes are needed to elucidate the fate and dynamics of anthropogenic pollutants within contaminated ecosystems.

54 ENVIRONMENTAL SCIENCES↗

Department of Energy Project DE-SC0012198: Probing Electron-Molecule Scattering with HHG: Theory and Experiment (Final Report)

The study of the motion of atoms in molecules is important to understanding many areas of physical and life sciences. Such motion occurs on many different times scales, with electronic motion occurring on a sub-femtosecond time scale, and simple vibrational motion in tens to hundreds of femtoseconds. One way to follow such processes in real time is by the use of shortpulsed lasers, and in particular by studying time-resolved photoionization and the related process of high-harmonic generation (HHG). Thus there has been much effort to develop the tools necessary to probe molecular systems using short pulse lasers and understanding the sensitivity of the different possible probes to the time dependent geometric structure as well as the electronic structure of molecules. Our research has particularly focused on the connection between high-field processes and the more traditional weak field photoionization processes. Strong field and weak field processes can be connected through models that involve the same matrix elements. We have demonstrated in our study of HHG from SF 6 that the spectrum is sensitive to the interplay between the angular dependence of the ionization step and recombination step. In our study of rescattering spectroscopy, we have shown that with a combination of experiment and theory, we can use this high-field spectroscopy to determine molecular structure in molecules such as C 2 H 4 . We have also developed new computational tools based on overset grids to enable studies on larger molecular systems which use much more robust numerical approaches so that the resulting code can be a tool that non-specialists can use to study related systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

US Department of Energy, Office of Science High Performance Computing Facility Operational Assessment 2019 Oak Ridge Leadership Computing Facility

Oak Ridge National Laboratory's (ORNL's) Leadership Computing Facility (OLCF) continues to surpass its operational target goals: supporting users; delivering fast, reliable computational ecosystems; creating innovative solutions for high performance computing (HPC) needs; and managing risks, safety, and security associated with operating some of the most powerful computers in the world. The results can be seen in the cutting-edge science conducted by users and the praise from the research community. Calendar year (CY) 2019 was a big year as OLCF staff ran five world-class resources (the leadershipclass computers Titan and Summit, the large analysis cluster called Eos, and the massive parallel filesystems called Atlas and Alpine)) and also began power and cooling upgrades for a 2021 exascale system called Frontier. While continuing exceptional operation of Titan, Eos, and Rhea, the OLCF released the Summit supercomputer for production on January 1, 2019. Summit debuted as the most capable and efficient system in its class and has been recognized as the most powerful system in the world for its performance on both the high performance linpack (HPL) and conjugate gradient (HPCG) benchmark applications since June 2018 according to TOP500. Summit represents the culmination of a multiyear effort between the OLCF, IBM, NVIDIA, and Mellanox to deliver a system that is unmatched for modeling, simulation, data analysis, and learning. To hit the ground running with science-ready applications on day one, application teams worked closely with the OLCF through the Center for Accelerated Application Readiness (CAAR) program for years in advance of the Summit deployment. CY 2019 was filled with outstanding results and accomplishments: a very high rating from users on overall satisfaction for the sixth year in a row; a tremendous amount of core-hours delivered to researchers from two leadership-class systems; and success in delivering on the allocation split of roughly 60%, 30%, and 10% of core-hours offered for the Innovative and Novel Computational Impact on Theory and Experiment (INCITE), Advanced Scientific Computing Research Leadership Computing Challenge (ALCC), and Director's Discretionary (DD) programs, respectively (see Operational Performance section). These accomplishments, coupled with the high utilization rates (overall and capability usage), represent the fulfillment of the promise of both leadership-class machines: efficient facilitation of leadership-class computational applications. Table ES.1 presents a summary of the 2019 OLCF metric targets and the associated results. More information can be found in the Operational Performance section for each OLCF resource. The scientific accomplishments of OLCF users are a strong indication of long-term operational success, with publications this year in such notable journals and publications as Nature, Nature Physics, Nature Plants, Physical Review X, Journal of the American Physical Society, Cell, Nano Letters, and Trends in Biotechnology. Crucial domain-specific discoveries facilitated by resources at the OLCF are described in the High Performance Computing Facility Operational Assessment 2019 Oak Ridge Leadership Computing Facility (OAR) Strategic Results section. For example, researchers used Summit to pinpoint and understand the production of proteins from genetic information, including mutations and the functional expression of disease (Section 8.2).

97 MATHEMATICS AND COMPUTING↗

Department of Energy Office of Science Graduate Student Research (SCGSR) Program Mid-Award Project Report

Three-quarters of the total mass of the universe is believed to be ”dark”, meaning that it does not interact with light; it’s presence has only been inferred through astrophysical observations. Because this so-called dark matter has never been observed directly, the question of its identity has become one of the most prominent unresolved mysteries in physics. With many answers ruled out, a direct observation of dark matter is certain to uncover new physics beyond the Standard Model, making it an enticing area of study.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Microelectronics at the Department of Energy: Capabilities and Opportunities for Driving U.S. Competitiveness

Microelectronics are everywhere—embedded in our consumer products; underlying our power, transportation, and information infrastructure; and fortifying our national security. These and other microelectronics applications are also intricately linked with America’s energy and decarbonization goals. For instance, advanced power electronics are critical to our transition to renewable power and electric transport, and more energy-efficient computing and consumer devices are needed as energy consumption grows rapidly. Meanwhile, global supply chain disruptions beginning in 2020 and the ensuing chip shortage caused by the COVID-19 pandemic highlight the vulnerability of microelectronics supply chains. The globally distributed manufacturing base can be disrupted in unexpected ways, and there is no single solution to these challenges given the range of applications and technologies within the microelectronics industry—from ever-smaller, nanoscale feature sizes to large-scale commodity use cases to specialized functionalities. Rather, solutions will require the private sector, federal agencies, and research and development (R&D) organizations such as labs and universities to act in concert beyond their individual missions.

36 MATERIALS SCIENCE↗

Amendment to Programmatic Agreement among the U.S. Department of Energy, National Nuclear Security Administration, Los Alamos Field Office, the New Mexico State Historic Preservation Office and the Advisory Council on History Preservation Concerning Management of the Historic Properties of Los Alamos National Laboratory, Los Alamos, New Mexico (AGREEMENT)

The Field Office has a cultural resources program manager. The LANL Management and Operating Contractor has a staff of cultural resource specialists who meet the qualifications set forth in the Secretary of the Interior's Standards and Guidelines for Professional Qualifications (36 CFR Part 61), or work under the supervision of individuals who meet these qualifications. Any future Management and Operating Contractor will have a staff of Secretary of the Interior-qualified cultural resource specialists.

99 GENERAL AND MISCELLANEOUS↗

U.S. Department of Energy’s Industrial Decarbonization Roadmap

The science is clear that significant greenhouse gas (GHG) emissions reductions are needed to moderate the severe impacts of ongoing climate change. Bold action is needed, and the Biden Administration has set goals of 100% carbon pollution-free electricity by 2035 and net-zero GHG emissions by 2050. The U.S. Long-Term Strategy (LTS) presents multiple pathways to a net-zero economy by no later than 2050. Addressing environmental justice and energy equity will be integral to meeting these climate goals. The United States’ overall industrial decarbonization strategy will support the Biden Administration’s Justice40 Initiative, which pledges that at least 40% of overall benefits from federal investments in climate and clean energy will be delivered to disadvantaged communities. The U.S. net-zero GHG 2050 goal, while ambitious, is achievable and will provide important benefits for all Americans in terms of public health, economic growth, reduced conflict from climate-related disasters, and quality of life. While this roadmap focuses on GHG emissions, other pollutant emissions will also need to be addressed as industry decarbonizes. Developing new technologies to reduce GHG emissions is an important opportunity to address other environmental issues and inequities. DOE is currently focusing on energy and environmental justice in complementary programs and initiatives. The U.S. industrial sector is considered a “difficult-to-decarbonize” sector of the energy economy, in part because of the diversity of energy inputs that feed into a heterogenous array of industrial processes and operations. In 2020, the industrial sector accounted for 33% of the nation’s primary energy use and 30% of energy-related carbon dioxide (CO 2 ) emissions.

54 ENVIRONMENTAL SCIENCES↗

Department of Energy’s Atmospheric System Research (ASR) Program’s Workshop on the Future of Atmospheric Large Eddy Simulation (LES) (Workshop Report)

Large-eddy simulation (LES) is used as a tool to understand physical processes such as turbulence, aerosols, clouds, precipitation, radiation, the interactions among all these, and their interactions with the underlying surface. Over the next 10 years, LES will drive fundamental progress in open scientific questions in these areas as LES is increasingly used to gain understanding of complex interacting physical processes involving atmospheric turbulence. This growth will be driven both by scientific demand and the expansion of computational resources needed to conduct LES, and the form that the growth takes will largely be determined by how computational resources are leveraged for scientific gain. In particular, we suggest that computational resources are likely to be leveraged in two separate but not necessarily distinct ways. On one hand, growth in computational resources will allow LES to be made more routine, that is, performed more frequently, while on the other hand, the computational expense (measured in total floating point operations) afforded to individual LES will expand dramatically, allowing simulations to increase in both domain size and resolution as well as physical detail.

54 ENVIRONMENTAL SCIENCES↗

Hidden in Plain Sight How Interior Furnishings Management Can Help Los Alamos National Laboratory Meet the United States Department of Energy's Sustainability Goals [Slides]

Annually close to 50,000 lbs. of furniture avoids landfills through this program. Over a ten year (2020-2030) over 224 tons of furniture will avoid landfills through the program, that is the weight of the Statue of Liberty. The ReUse program saves LANL $\$172,875$ annually based on the salvage value of the furniture. If the product reused were to be purchased new, LANL would spen close to $1,200,000.

99 GENERAL AND MISCELLANEOUS↗

Hidden in Plain Sight: How Interior Furnishings Management Can Help Los Alamos National Laboratory Meet the United States Department of Energy's Sustainability Goals [Capstone Project]

In the last three years, LANL has purchased over $50 million in new interior products with a focus on sustainable building and high-quality interior furnishings, carpet, and paint. Purchasing interior products that focus on sustainable manufacturing, however, is only the beginning of properly operating and maintaining an interior space over its useable life. Sustainable commercial furniture, if well maintained and warrantied, can last well beyond the accounting depreciation of the asset, ultimately saving taxpayer dollars. Given DOE’s recently announced built environment sustainability goals, now is the time to look at interior products as an important part of the overall sustainability plan for LANL’s green building initiatives. The scope of this thesis provides an environmentally sustainable O&M process for the procurement, use, and proper decommissioning of interior products. The thesis also provides environmental and financial data to assist with LANL’s overall DOE Matrix milestones, currently due in 2030.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗