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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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DOE OSTI2024

The Scientific Impact of the Exascale Computing Project

The recent arrival of the Frontier Supercomputer at Oak Ridge National Laboratory officially marked the dawn of the exascale computing era. Its successful deployment coincided with the culmination of the U.S. Department of Energy Exascale Computing Project (ECP), an ambitious, complex, and risky research and development effort that integrated contributions from a broad and diverse subset of the high-performance computing community. The success of ECP will ultimately be judged by the scientific and engineering advances that it enabled. In conclusion, this Special Issue is focused on showcasing early successes in the use of exascale resources to enable breakthroughs in key areas of science in engineering.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Quantum Distributed Unit Commitment: An Application in Microgrids

The dawn of quantum computing brings on a revolution in the way combinatorially complex power system problems such as Unit Commitment are solved. The Unit Commitment problem complexity is expected to increase in the future because of the trend toward the increase of penetration of intermittent renewables. Even though quantum computing has proven effective for solving a host of problems, its applications for power systems’ problems have been rather limited. Here, in this paper, a quantum unit commitment is innovatively formulated and the quantum version of the decomposition and coordination alternate direction method of multipliers (ADMM) is established. The above is achieved by devising quantum algorithms and by exploiting the superposition and entanglement of quantum bits (qubits) for solving subproblems, which are then coordinated through ADMM to obtain feasible solutions. The main contributions of this paper include: 1) the innovative development of a quantum model for Unit Commitment; 2) development of decomposition and coordination-supported framework which paves the way for the utilization of limited quantum resources to potentially solve the large-scale discrete optimization problems; 3) devising the novel quantum distributed unit commitment (QDUC) to solve the problem in a larger scale than currently available quantum computers are capable of solving. The QDUC results are compared with those from its classical counterpart, which validate the efficacy of quantum computing.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Trading water for carbon in the future: Effects of elevated CO 2 and warming on leaf hydraulic traits in a semiarid grassland

Abstract The effects of climate change on plants and ecosystems are mediated by plant hydraulic traits, including interspecific and intraspecific variability of trait phenotypes. Yet, integrative and realistic studies of hydraulic traits and climate change are rare. In a semiarid grassland, we assessed the response of several plant hydraulic traits to elevated CO 2 (+200 ppm) and warming (+1.5 to 3°C; day to night). For leaves of five dominant species (three graminoids and two forbs), and in replicated plots exposed to 7 years of elevated CO 2 , warming, or ambient climate, we measured: stomatal density and size, xylem vessel size, turgor loss point, and water potential (pre‐dawn). Interspecific differences in hydraulic traits were larger than intraspecific shifts induced by elevated CO 2 and/or warming. Effects of elevated CO 2 were greater than effects of warming, and interactions between treatments were weak or not detected. The forbs showed little phenotypic plasticity. The graminoids had leaf water potentials and turgor loss points that were 10% to 50% less negative under elevated CO 2 ; thus, climate change might cause these species to adjust their drought resistance strategy away from tolerance and toward avoidance. The C4 grass also reduced allocation of leaf area to stomata under elevated CO 2 , which helps explain observations of higher soil moisture. The shifts in hydraulic traits under elevated CO 2 were not, however, simply due to higher soil moisture. Integration of our results with others' indicates that common species in this grassland are more likely to adjust stomatal aperture in response to near‐term climate change, rather than anatomical traits; this contrasts with apparent effects of changing CO 2 on plant anatomy over evolutionary time. Future studies should assess how plant responses to drought may be constrained by the apparent shift from tolerance (via low turgor loss point) to avoidance (via stomatal regulation and/or access to deeper soil moisture).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

The Search for Feebly Interacting Particles

At the dawn of a new decade, particle physics faces the challenge of explaining the mystery of dark matter, the origin of matter over antimatter in the Universe, the apparent fine-tuning of the electroweak scale, and many other aspects of fundamental physics. Perhaps the most striking frontier to emerge in the search for answers involves New Physics at mass scales comparable to that of familiar matter—below the GeV scale but with very feeble interaction strength. New theoretical ideas to address dark matter and other fundamental questions predict such feebly interacting particles (FIPs) at these scales, and existing data may even provide hints of this possibility. Emboldened by the lessons of the LHC, a vibrant experimental program to discover such physics is underway, guided by a systematic theoretical approach that is firmly grounded in the underlying principles of the Standard Model. We give an overview of these efforts, their motivations, and the decadal goals that animate the community involved in the search for FIPs, and we focus in particular on accelerator-based experiments.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Single-Cell Genomics and the Oral Microbiome

The human oral cavity is one of the first environments where microbes have been discovered and studied since the dawn of microbiology. Nevertheless, approximately 200 types of bacteria from the oral microbiota have remained uncultured in the laboratory. Some are associated with a healthy oral microbial community, while others are linked to oral diseases, from dental caries to gum disease. Single-cell genomics has enabled inferences on the physiology, virulence, and evolution of such uncultured microorganisms and has further enabled isolation and cultivation of several novel oral bacteria, including the discovery of novel interspecies interactions. This review summarizes some of the more recent advances in this field, which is rapidly moving toward physiologic characterization of single cells and ultimately cultivation of the yet uncultured. A combination of traditional microbiological approaches with genomic-based physiologic predictions and isolation strategies may lead to the oral microbiome being the first complex microbial community to have all its members cultivable in the laboratory. We conclude studying the biology of the individual microbes when in association with other members of the community, in controlled laboratory conditions and in vivo, should lead to a better understanding of oral dysbiosis and its prevention and reversion.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

PWR loading pattern optimization with reinforcement learning

The core loading pattern optimization problem belongs to the class of combinatorial optimization problem and has been studied since the dawn of commercial nuclear energy industry. It is characterized by multiple objectives and constraints, with a very high number of candidate patterns, which makes it impossible to solve explicitly. Stochastic optimization methodologies including Genetic Algorithms and Simulated Annealing are used by different nuclear utilities and vendors to perform fuel cycle reload design. Nevertheless, hand-designed solutions continue to be the prevalent method in the industry. To improve the state-of-the-art core reload patterns, we aim to create a method as scalable as possible, that agrees with the designer's goal of performance and safety. To help in this task Deep Reinforcement Learning (DRL), in particular Proximal Policy Optimization is leveraged. DRL has recently experienced a strong impetus from its successes applied to games, sometimes even reaching 'super-human' performances. This paper lays out the foundation of this method and proposes to study the behavior of several hyper-parameters that influence the DRL algorithm. The algorithm is highly dependent on multiple factors such as an exploration/exploitation trade-off that manifests through different parameters such as the number of loading patterns seen and the number of samples collected before a policy update, but also the shape of the objective function derived for the core design. Experimental results also demonstrate the effectiveness of the method in finding high-quality solutions from scratch within a reasonable amount of time. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2022

Leaf water potential, Feb2016-May2016, PA-SLZ, PA-PNM, PA-BCI: Panama

This data package contains leaf water potential data from the Barro Colorado Island (BCI), Parque Natural Metropolitano (PNM), and Bosque Protector San Lorenzo (SLZ) NGEE Tropics field sites in Panama. Pre-dawn and diurnal leaf water potential were measured on a monthly basis from February to May 2016 at SLZ and PNM. Data from BCI are only available for the month of March. This data was collected as part of the 2016 El Niño-Southern Oscillation (ENSO) campaign. Included in the attached zip file are data and metadata folders. The single data file "2016ENSO_Panama_LWP" has been provided in both Excel and CSV formats for usability purposes. The metadata file "Metadata_description_2016_ENSO_Panama" provides protocols, site descriptions, equipment information, and more, and has been provided in .docx and PDF file formats. See related datasets (existing and future) for further sample details, leaf spectra, leaf mass area (LMA), gas exchange and leaf chemistry data. VERSION 2 update. The identification of a species from the PNM site has been corrected as follows: the identification of the tree initially identified as Pseudosamanea guachapele (ALBIED) has been revised to Albizia adinocephala (ALBIAD). The updated data package includes revised data, metadata and protocol documents updated to reflect this change.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Seismoacoustic Explosion Yield and Depth Estimation: Insights from the Large Surface Explosion Coupling Experiment

The Large Surface Explosion Coupling Experiment (LSECE) is a chemical explosion experiment conducted in Yucca Flat at the Nevada National Security Site in 2020. The experiment included two surface detonations of ~1000 kg trinitrotoluene equivalent. The main goal of this experiment was to provide the ground-truth data for seismoacoustic wave excitation by large chemical explosions near the ground surface. The seismic and acoustic energy partitioning between the surface is strongly governed by the depth or height of explosions, and either seismic or acoustic-only analysis may have inherent ambiguity in determining explosion yield and depth simultaneously. Previous studies suggested that joint seismoacoustic analysis can resolve the trade-off and reduce the uncertainty of yield and depth estimation dramatically. Here we demonstrate the capability of seismoacoustic analysis to improve the accuracy of explosion yield and depth estimation with the LSECE data. Local acoustic wave propagation in the atmosphere can be substantially affected by constantly varying weather conditions. Consisting of two detonations before dawn and in the afternoon, LSECE provides unique data to evaluate the model accuracy of acoustic wave propagation and seismoacoustic energy partitioning depending on local atmospheric conditions. We quantitatively evaluate the accuracy of yield and depth estimation depending on atmospheric variability and the improvement achieved by the joint seismoacoustic approach.

58 GEOSCIENCES↗
DOE OSTI2020

CDFG Extraction Tool for LLVM

With the dawn of the exascale era, computer scientists and engineers are faced with tremendous challenges across all facets of the HPC system - scalability, performance, reliability, and power consumption. In particular, the power-performance benefit from one processor generation to the next is seeing ever-diminishing returns and will require fundamental changes in the way we approach computation. In fact, it is likely that different applications will require different types of accelerators in order to meet power, performance, and reliability requirements at scale. One potential type of accelerator, a dataflow architecture, diverges from the traditional sequentially executed instruction model into one that reflects the inherent instruction-level parallelism in a program. This work presents the initial steps toward a tool that can extract the control-dataflow graph from an application.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Of Clouds and Craters: The History of U.S. Nuclear Weapons Testing

“Now!” With that word, the Atomic Age – and the era of nuclear weapons testing – dawned. The advent of World War II’s first irresistible weapon, which had been secretly tested in the New Mexico desert in July 1945, would help hasten the inevitable: complete victory for the Allies. Codenamed Trinity, the test was the first of over a thousand conducted by the United States between 1945 and 1992. Nuclear weapons would change future clashes as well. The looming Cold War, with roots stretching all the way back to 1917, was history’s first conflict between two, major nations armed with nuclear weapons. It is clear the existence of those weapons played an important role in maintaining a tenuous peace between the United States and the Soviet Union; it is also clear nuclear weapons testing played a prominent role in fueling both the arms race and the success of deterrence. Yet, the history of nuclear weapons testing is rarely remembered, even though nuclear tests have been performed in the very recent past. Of the estimated 2,000-plus nuclear tests ever performed, the U.S. is responsible for approximately half. This is the story of U.S. full-scale nuclear weapons testing.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2020

Test your Trinity knowledge, print a 75th anniversary poster

To commemorate the 75th anniversary of the Trinity test, award-winning artist and graphic designer Paul Ziomek (Communication Arts and Services, CPA-CAS), illustrated an original poster. This one-of-a-kind work of art features Los Alamos Physicist Enrico Fermi witnessing the world’s first detonation of a nuclear device, the Gadget, on July, 16, 1945. This moment marked one of the greatest scientific achievements of all time and the dawn of the nuclear age. The work of those Los Alamos scientists – documented in their notebooks, photos, films, engineering drawings, and memos to each other – is part of the collections in the National Security Research Center, the Lab’s classified library located in the National Security Sciences Building.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2021

Large Surface Explosion Coupling Experiment - SNL Remote Optical.

Two surface chemical explosive tests were observed for the Large Surface Explosion Coupling Experiment (LSECE) at the Nevada National Security Site in October 2020. The tests consisted of two one-ton explosions, one occurring before dawn and one occurring mid- afternoon. LSECE was performed in the same location as previous underground tests and aimed to explore the relationship between surface and underground explosions in support of global nonproliferation efforts. Several pieces of remote sensing equipment were deployed from a trailer 2.02 km from ground zero including high-speed cameras, radiometers and a spectrometer. The data collected from these tests will increase the knowledge of large surface chemical explosive signatures.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2021

Evaluation of a Surface Spill Operation to Return Adult Steelhead Overshoots Downstream of McNary Dam

This study, funded by the U.S. Army Corps of Engineers (USACE), was conducted by the Pacific Northwest National Laboratory to evaluate the efficacy of operating one Top Spill Weir (TSW) at McNary Dam outside the normal TSW operation dates for juvenile salmon passage. Of interest is whether the TSW is an effective downstream passage route for adult steelhead overshoots. Overshoots are fish which, having passed upstream at McNary Dam, must pass downstream to return to their natal stream to spawn. This report covers Fall (2019) and Spring (2020) study periods. The study design arranged the available 24 hours of TSW spill per week into weekly blocks with sub-blocks differentiated into day and night operations with TSW discharge periods of 4- and 8-hours duration. Hydroacoustic techniques were used to sample adult fish passage at the TSW and at turbine units 1 and 10. The experimental design contrasted TSW spill periods of differing duration and at different times of the day. The small number of fish detected passing the TSW, and the smaller number of fish detected passing the turbine units, were best suited to an ad hoc, exploratory approach to evaluating the effect of TSW spill. It is worthwhile to note that the operations data obtained for the fall study period had a greater than expected number of gaps and apparent anomalies that we believe were a result of how the data were aggregated. These problems are not particularly problematic for the present study, because the available data still provide a good indication of whether the TSW was operating at each point in time. TSW flows in both fall and spring data sets were able to be cleaned up using the established relationship between forebay elevation and TSW discharge rate. Additional cleanup of operations data would be needed, however, if more quantitative evaluation of dam-wide flow and passage relationships were needed. This study contrasted TSW spill periods of differing duration and at different times of the day. The small number of fish detected passing the TSW, and the smaller number of fish detected passing the turbine units were best suited to an ad hoc, exploratory approach to evaluating the effect of TSW spill. Spring adult steelhead passage numbers estimated using hydroacoustics were notably lower than during the fall study period, and that was consistent with our analysis of PIT tagged fish likely to be in the vicinity during each study period. Detections of fish in BlueView sampling areas upstream of the TSW and powerhouse were not correlated with detections of fish passing hydroacoustic sampling areas, which suggests that fish approaching the face of the dam can move around the forebay before passing. Other fish detected in the forebay in large numbers, such as shad, were able to be filtered out of steelhead passage counts and did not appear to be influencing hydroacoustic passage rate estimates. A pulse of passage at the initial TSW opening was weakly evident, but trends across 4- and 8-hour operational periods did not show a distinct decline in passage over time as TSW operation continued. Our findings do not indicate a reason to choose one 8-hour period over two 4-hour periods, or vice versa. This suggests that the duration of spill periods can be chosen based on operational or other considerations. Passage rates were consistently higher during the daytime TSW discharge periods, relative to nighttime TSW discharge periods. The experimental design of the current study used start times near dawn for day periods and near dusk for night periods.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Plutonium and poetry: Where Trinity and Oppenheimer's reading habits met Literary inspirations, correcting misinterpretation of his famous quote

The Lab’s first director, J. Robert Oppenheimer, was a man of sonnets and scientific synthesis. Oppenheimer’s work at Los Alamos was defined not only by physics and administrative skill, but also by a life philosophy inspired, in part, by literature. The Trinity test, which took place 76 years ago on July 16th in the New Mexico desert, epitomizes this. Known as one of the greatest scientific achievements ever, the successful detonation of the world’s first nuclear weapon marked the dawn of the Atomic Age. Created in just 27, albeit harrowing, months, Oppenheimer and his team at the Los Alamos Lab worked nonstop on this clandestine effort to help end World War II. As he had done throughout his life, Oppenheimer continued to foster his love of literature during the Manhattan Project. Two of his influences were John Donne and the Hindu scripture Bhagavad-Gita. Oppenheimer recalled both during the Trinity test.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2021

The Global Nonproliferation Regime: The NPT and Beyond

In the aftermath of WWII, the fear of nuclear war prompted the international community to confront the issue of nuclear proliferation. The global nonproliferation regime that exists today is comprised of a matrix of multilateral treaties, political commitments, and unilateral measures designed to limit the spread of nuclear weapons. It has evolved considerably since the dawn of the nuclear age. This presentation covers the origins of the Nuclear Non-Proliferation Treaty (NPT), an introduction to International Atomic Energy Agency (IAEA) safeguards, a discussion of contemporary challenges and opportunities in the field, and an overview of the broader nonproliferation regime beyond the NPT.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2021

Solar +: Clean Energy Strategies for the Sunshine State (Final Technical Report (FTR) of the Florida Alliance for Accelerating Solar and Storage Technology Readiness (FAASSTeR))

This reports on a four-year effort to provide foundational research, analysis, strategies and assistance to help Florida, and other states that might learn from this work, to grow solar energy in conjunction with other distributed energy resources by addressing and overcoming existing barriers, and in way that delivers increased value. The start of this effort coincided with an inflection point of sorts into a new dawn for solar energy in Florida, where the Sunshine state’s national ranking in total installed solar, according to the Solar Energy Industries Association (SEIA), has rose from 13th to 4th. Florida has now become the national leader in annual utility-scale solar growth as dozens of large plants have come online. Also, during this time, Florida utilities have expressed a strong and growing interest in understanding the role of energy storage and how to best plan for and deploy this unique resource as part of strategies to grow solar. The utility-scale solar growth experienced has been fueled by the economics of solar cost-parity with natural gas combined cycle plants and Florida Public Service Commission’s (PSC) approval of cost-recovery for the Investor-Owned Utilities (IOU’s), primarily through the Solar Base Rate Adjustment (SoBRA) mechanism. This has led to gigawatts (GW’s) of rate-based solar capacity additions over several years, along with fairly significant amounts of energy storage. Meanwhile, municipal electric utilities, which, collectively, are the third largest source of power in the state, have been increasing solar considerably through power purchase agreements (PPA’s) and are on track to have close to 1 GW of grid-connected solar by 2024. Florida’s municipal utilities and the Florida Municipal Electric Association (FMEA) have been key partners in the Florida Alliance for Accelerating Solar and Storage Technology Readiness (FAASSTeR), formed to carry out this effort. The six largest of these have been Core Team utilities, engaging throughout the project in weekly calls, discussions, and project direction, participating in and hosting workshops and benefiting from technical assistance in several areas.

14 SOLAR ENERGY↗
DOE OSTI2022

Exploration of Quantum Machine Learning and AI Accelerators for Fusion Science

The dawn of the noisy intermediate-scale quantum (NISQ) era sparked rapid development in variational quantum algorithms. These algorithms, utilizing parameterized quantum circuit optimized by classical computers with feedback, are practical under the constraints of the current hardware and can potentially show quantum advantage. In recent years, these variational circuit are applied to neural networks, hoping to boost the triumphant success of deep learning. We simulate various of quantum-classical hybrid neural networks applied to scientific tasks, and seek to understand their capabilities and limitations. Specifically, we devise quantum convolutional layers and apply them to deep neural networks used for predicting plasma disruption in fusion reactors.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Witness the Trinity test through Lab artifacts

July 16 marks the 77th anniversary of the Trinity test, conducted in a desert in New Mexico. The test subject, an atomic bomb called The Gadget, was successfully detonated from a 100-foot steel tower. This event marks the commencement of the Atomic Age, a new era where fission capabilities could be employed for national security purposes. Shortly after the Trinity test, two Los Alamos-created atomic weapons were released above Japan, helping to end the world’s bloodiest conflict just weeks later. “Trinity was one of the greatest scientific experiments ever,” said NSRC Senior Historian Alan Carr said. “Los Alamos scientists changed the world forever on that day. Not only was it the dawn of the Atomic Age, but also the beginning of the Lab’s eight decades of cutting-edge science and its national security charge.” To preserve this event, and to continue to learn more about this critical moment in history, the National Security Research Center (NSRC) curates a collection of photographs, films, notes, unclassified artifacts and numerous other materials related to the science of the test. Notably, the collection includes a novel material that formed at the site, trinitite, and artifacts from one of the intriguing scientists present at the test, Enrico Fermi.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗