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NASA NTRS1991

The SERENDIP 2 SETI project: Current status

Over the past 30 years, interest in extraterrestrial intelligence has progressed from philosophical discussion to rigorous scientific endeavors attempting to make contact. Since it is impossible to assess the probability of success and the amount of telescope time needed for detection, Search for Extraterrestrial Intelligence (SETI) Projects are plagued with the problem of attaining the large amounts of time needed on the world's precious few large radio telescopes. To circumvent this problem, the Search for Extraterrestrial Radio Emissions from Nearby Developed Intelligent Populations (SERENDIP) instrument operates autonomously in a piggyback mode utilizing whatever observing plan is chosen by the primary observer. In this way, large quantities of high-quality data can be collected in a cost-effective and unobtrusive manner. During normal operations, SERENDIP logs statistically significant events for further offline analysis. Due to the large number of terrestrial and near-space transmitters on earth, a major element of the SERENDIP project involves identifying and rejecting spurious signals from these sources. Another major element of the SERENDIP Project (as well as most other SETI efforts) is detecting extraterrestrial intelligence (ETI) signals. Events selected as candidate ETI signals are studied further in a targeted search program which utilizes between 24 to 48 hours of dedicated telescope time each year.

Bowyer, C. S.↗

NASA NTRS2001

The Isothermal Dendritic Growth Experiment (IDGE)

Dendritic solidification is one of the simplest examples of pattern formation where a structureless melt evolves into a ramified crystalline microstructure; it is a common mode of solidification in many materials, but especially so in metals and alloys. There is considerable engineering interest in dendrites because of the role dendrites play in the determination of microstructure, and thereby in influencing the physical properties of cast metals and alloys. Dendritic solidification provides important examples of non-equilibrium physics, pattern formation dynamics, and models for computational condensed matter and material physics. Current theories of dendritic growth generally couple diffusion effects in the melt with the physics introduced by the interface. Unfortunately, in terrestrial based experiments, convective effects in the melt alter the growth process in such a manner as to prevent definitive analysis of convective, diffusive or interfacial effects. Thus, the effective elimination of convection in the melt by operating experiments on orbit were required to produce high-fidelity data needed for achieving further progress. This simple fact comprised the scientific justification for the IDGE.

Glicksman, M. E.↗

NASA NTRS2002

SHARPI: Solar High Angular Resolution Photometric Imager

Observing the lower solar atmosphere with enough linear resolution (< 100 km) to study individual magnetic flux tubes and other features on scales comparable to the photon mean free path has proven to be a challenging and elusive goal. Space-borne instruments based on conventional heavy optics turned out to be too expensive, and adaptive optics on the ground made slow progress for many years. Nevertheless, the scientific case for high-resolution imaging and magnetography has only become more compelling over the last ten years. Today, ground-based adaptive optics is a promising approach for small fields of view at visible wavelengths. Space experiments will need to employ lightweight optics and low cost platforms. The Sunrise balloon experiment is one example. We describe a concept for a sounding rocket experiment that will achieve 0.1-arcsecond imaging using a lightweight, ultraprecise 55-cm mirror in the far ultraviolet (160 nm continuum, Lyman alpha, and possibly C IV 155 nm). The f/1.2 parabolic primary mirror is entering the final stages of production. The mirror is a ULE honeycomb design with front and back face sheets. The front sheet will be figured to 6.3 nm rms with microroughness 1 nm or better. For the initial proof of concept, we describe a no-frills, high-cadence imager aboard a Black Brant sounding rocket. Development of lightweight UV/EUV optics at Goddard Space Flight Center has been supported by the Internal Research and Development program.

Rabin, D.↗

NASA NTRS2010

A Scientific Revolution: The Hubble and James Webb Space Telescopes

Astronomy is going through a scientific revolution, responding to a flood of data from the Hubble Space Telescope, other space missions, and large telescopes on the ground. In this talk, I will discuss some of the important discoveries of the last decade, from dwarf planets in the outer Solar System to the mysterious dark energy that overcomes gravity to accelerate the expansion of the Universe. The next decade will be equally bright with the newly refurbished Hubble and the promise of its successor, the James Webb Space Telescope. An infrared-optimized 6.5m space telescope, Webb is designed to find the first galaxies that formed in the early universe and to peer into the dusty gas clouds where stars and planets are born. With MEMS technology, a deployed primary mirror and a tennis-court sized sunshield, the mission presents many technical challenges. I will describe Webb's scientific goals, its design and recent progress in constructing the observatory. Webb is scheduled for launch in 2014.

Gardner, Jonathan P.↗

NASA NTRS2017

Mind the Gap: Exploring the Underground of the NASA Space Cancer Risk Model

The REID quantifies the lifetime risk of death from radiation-induced cancer in an exposed astronaut. The NASA Space Cancer Risk (NSCR) 2012 mode incorporates elements from physics, biology, epidemiology, and statistics to generate the REID distribution. The current model quantifies the space radiation environment, radiation quality, and dose-rate effects to estimate a NASA-weighted dose. This weighted dose is mapped to the excess risk of radiation-induced cancer mortality from acute exposures to gamma rays and then transferred to an astronaut population. Finally, the REID is determined by integrating this risk over the individual's lifetime. The calculated upper 95% confidence limit of the REID is used to restrict an astronaut's permissible mission duration (PMD) for a proposed mission. As a statistical quantity characterized by broad, subjective uncertainties, REID estimates for space missions result in wide distributions. Currently, the upper 95% confidence level is over 350% larger than the mean REID value, which can severely limit an astronaut's PMD. The model incorporates inputs from multiple scientific disciplines in the risk estimation process. Physics and particle transport models calculate how radiation moves through space, penetrates spacecraft, and makes its way to the human beings onboard. Epidemiological studies of exposures from atomic bombings, medical treatments, and power plants are used to quantify health risks from acute and chronic low linear energy transfer (LET) ionizing radiation. Biological studies in cellular and animal models using radiation at various LETs and energies inform quality metrics for ions present in space radiation. Statistical methodologies unite these elements, controlling for mathematical and scientific uncertainty and variability. Despite current progress, these research platforms contain knowledge gaps contributing to the large uncertainties still present in the model. The NASA Space Radiation Program Element (SRPE) defines the knowledge gaps that impact our understanding of the cancer risks. These gaps are outlined in NASA's Human Research Roadmap [4], which identifies the research questions and actions recommended for reducing the uncertainty in the current NSCR model and for formulation of future models. The greatest contributors to uncertainty in the current model include radiation quality, dose rate effects, and the transfer of exposure-based risk from other populations to an astronaut population. Future formulations of the risk model may benefit from including other potential sources of uncertainty such as space dosimetry, errors in human epidemiology data, and the impact of microgravity and other spaceflight stressors. Here, we discuss the current capabilities of the NSCR-2012 model and several immediate research needs, highlighting areas expected to have an operational impact on the current model schema. The following subway-style route map outlines the NSCR-2012 model (Green Line), emphasizing the research gaps in the Human Research Roadmap for risk of radiation-induced carcinogenesis (Stops on Dashed Lines). The map diagrams how these research gaps feed specific portions of the model.

Chappell, L. J.↗

NASA NTRS2017

Mobile/Modular BSL-4 Facilities for Meeting Restricted Earth Return Containment Requirements

NASA robotic sample return missions designated Category V Restricted Earth Return by the NASA Planetary Protection Office require sample containment and biohazard testing in a receiving laboratory as directed by NASA Procedural Requirement (NPR) 8020.12D - ensuring the preservation and protection of Earth and the sample. Currently, NPR 8020.12D classifies Restricted Earth Return for robotic sample return missions from Mars, Europa, and Enceladus with the caveat that future proposed mission locations could be added or restrictions lifted on a case by case basis as scientific knowledge and understanding of biohazards progresses. Since the 1960s, sample containment from an unknown extraterrestrial biohazard have been related to the highest containment standards and protocols known to modern science. Today, Biosafety Level (BSL) 4 standards and protocols are used to study the most dangerous high-risk diseases and unknown biological agents on Earth. Over 30 BSL-4 facilities have been constructed worldwide with 12 residing in the United States; of theses, 8 are operational. In the last two decades, these brick and mortar facilities have cost in the hundreds of millions of dollars dependent on the facility requirements and size. Previous mission concept studies for constructing a NASA sample receiving facility with an integrated BSL-4 quarantine and biohazard testing facility have also been estimated in the hundreds of millions of dollars. As an alternative option, we have recently conducted an initial trade study for constructing a mobile and/or modular sample containment laboratory that would meet all BSL-4 and planetary protection standards and protocols at a faction of the cost. Mobile and modular BSL-2 and 3 facilities have been successfully constructed and deployed world-wide for government testing of pathogens and pharmaceutical production. Our study showed that a modular BSL-4 construction could result in approximately 90% cost reduction when compared to traditional construction methods without compromising the preservation of the sample or Earth.

Calaway, M. J.↗

DOE OSTI2023

Advanced Simulation and Computing: ASC FY24 Implementation Plan

The DOE National Nuclear Security Administration (NNSA) Stockpile Stewardship Program (SSP) is an integrated technical program for maintaining the safety, security, and reliability of the U.S. nuclear stockpile. The SSP incorporates nuclear test data, computational modeling and simulation, and experimental facilities to advance understanding of nuclear weapons. The suite of data analyzed comes from activities including previous nuclear tests, stockpile surveillance, experimental research, and development and engineering programs. This integrated national program requires the continued use of experimental facilities and the computational capabilities to support the SSP missions. These component parts, in addition to an appropriately scaled production capability, enable NNSA to support stockpile requirements. The ultimate goal of the SSP, and thus of the Advanced Simulation and Computing (ASC) program, is to ensure that the U.S. maintains a safe, secure, and effective strategic deterrent. The ASC program is a cornerstone of the SSP, providing simulation capabilities and computational resources to support the annual stockpile assessment and certification process, study advanced nuclear weapons design and manufacturing processes, analyze accident scenarios and weapons aging, and provide the tools to enable stockpile Life Extension Programs (LEPs) and the resolution of Significant Finding Investigations (SFIs). This work requires a balance of resources, including technical staff, hardware, simulation software, and computer science solutions. The ASC program focuses on increasing the predictive capabilities in a three-dimensional (3D) simulation environment while maintaining support to the SSP. The Program continues to improve its unique tools for understanding and solving progressively more difficult stockpile problems (sufficient resolution, dimensionality, and scientific details), and quantifying critical margins and uncertainties. Resolving each issue requires increasingly difficult analyses because the aging process has progressively moved the stockpile further from the original test base. While the focus remains on the U.S. nuclear weapons program, where possible, the Program also enables the use of high-performance computing (HPC) and simulation tools to address broader national security needs, such as foreign nuclear weapon assessments and nuclear counterterrorism. The 2022 Nuclear Posture Review (NPR) calls for NNSA to “deliver a modern, adaptive nuclear security enterprise based on an integrated strategy for risk management, production-based resilience, science and technology innovation, and workforce initiatives.” Furthermore, “NNSA will establish a Science and Technology Innovation Initiative to accelerate the integration of science and technology (S&T) throughout its activities.” Executing this strategy necessitates the continued emphasis on developing and sustaining high-quality scientific and engineering staff, as well as supporting computational and experimental capabilities. These components constitute the foundation of the nuclear weapons program. The continued success of the SSP and LEPs is predicated upon the ability to credibly certify the stockpile, without a return to underground nuclear tests (UGTs). Shortly after the nuclear test moratorium entered into force in 1992, the Accelerated Strategic Computing Initiative (ASCI) was established to provide an extensive simulation capability to underpin stockpile certification. While computing and simulation have always been essential to the success of the nuclear weapons program, the program goal of ASCI was to execute NNSA’s vision of using these tools in support of the stockpile stewardship mission. The ASCI program was essential to the successful demonstration of the SSP, providing critical nuclear weapons simulation and modeling capabilities. ASCI officially evolved into the ASC program in fiscal year (FY) 2005, but the mission remains essentially the same: provide the simulation and computational capabilities that underpin the ability to maintain a safe, secure, effective nuclear weapon stockpile, without returning to underground nuclear testing. The capabilities that the ASC program provides at the national laboratories play a vital role in the nuclear security enterprise and are necessary for fulfilling the stockpile stewardship and life extension requirements outlined for NNSA. The Program develops modern simulation tools that provide insights into stockpile aging issues, provide the computational and simulation tools that enable designers and analysts to certify the current stockpile and life-extended nuclear weapons, and inform the decision-making process when any modifications in nuclear warheads or the associated manufacturing processes are deemed necessary. Furthermore, ASC is enhancing the predictive simulation capabilities that are essential to evaluate weapons effects, design experiments, and ensure test readiness. The ASC program continues to improve its unique tools to solve stockpile problems— with a focus on sufficient resolution, dimensionality, and scientific detail—to enable Quantification of Margins and Uncertainties (QMU) and to resolve the increasingly difficult analyses needed for stockpile stewardship. The needs of the Stockpile Management and Production Modernization programs (formerly Directed Stockpile Work) also drive the requirements for simulation and computational resources. These requirements include planned LEPs, stockpile support activities, and mitigation efforts against the potential for technical surprise. All of the weapons within the current stockpile are in some stage of the life extension process. The simulation and computational capabilities are crucial for successful execution of these life extensions and for ensuring NNSA can certify these life-extended weapons without conducting a UGT.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2011

Wide-Field Infrared Survey Telescope (WFIRST) Interim Report

The New Worlds, New Horizons (NWNH) in Astronomy and Astrophysics 2010 Decadal Survey prioritized the community consensus for ground-based and space-based observatories. Recognizing that many of the community s key questions could be answered with a wide-field infrared survey telescope in space, and that the decade would be one of budget austerity, WFIRST was top ranked in the large space mission category. In addition to the powerful new science that could be accomplished with a wide-field infrared telescope, the WFIRST mission was determined to be both technologically ready and only a small fraction of the cost of previous flagship missions, such as HST or JWST. In response to the top ranking by the community, NASA formed the WFIRST Science Definition Team (SDT) and Project Office. The SDT was charged with fleshing out the NWNH scientific requirements to a greater level of detail. NWNH evaluated the risk and cost of the JDEM-Omega mission design, as submitted by NASA, and stated that it should serve as the basis for the WFIRST mission. The SDT and Project Office were charged with developing a mission optimized for achieving the science goals laid out by the NWNH re-port. The SDT and Project Office opted to use the JDEM-Omega hardware configuration as an initial start-ing point for the hardware implementation. JDEM-Omega and WFIRST both have an infrared imager with a filter wheel, as well as counter-dispersed moderate resolution spectrometers. The primary advantage of space observations is being above the Earth's atmosphere, which absorbs, scatters, warps and emits light. Observing from above the atmosphere enables WFIRST to obtain precision infrared measurements of the shapes of galaxies for weak lensing, infrared light-curves of supernovae and exoplanet microlensing events with low systematic errors, and infrared measurements of the H hydrogen line to be cleanly detected in the 1<z<2 redshift range important for baryon acoustic oscillation (BAO) dark energy measurements. The Infrared Astronomical Satellite (IRAS), the Cosmic Background Explorer (COBE), Herschel, Spitzer, and Wide-field Infrared Sur-vey Explorer (WISE) are all space missions that have produced stunning new scientific advances by going to space to observe in the infrared. This interim report describes progress as of June 2011 on developing a requirements flowdown and an evaluation of scientific performance. An Interim Design Reference Mission (IDRM) configuration is presented that is based on the specifications of NWNH with some refinements to optimize the design in accordance with the new scientific requirements. Analysis of this WFIRST IDRM concept is in progress to ensure the capability of the observatory is compatible with the science requirements. The SDT and Project will continue to refine the mission concept over the coming year as design, analysis and simulation work are completed, resulting in the SDT s WFIRST Design Reference Mission (DRM) by the end of 2012.

Green, J.↗

NASA NTRS1961

Results of the Second U.S. Manned Suborbital Space Flight, July 21, 1961

This document presents the results of the second United States manned suborbital space flight. The data and flight description presented form a continuation of the information provided at an open conference held under the auspices of the National Aeronautics and Space Administration, in cooperation with the National Institutes of Health and the National Academy of Sciences, at the U.S. Department of State Auditorium on June 6, 1961. The papers presented herein generally parallel the presentations of the first report and were prepared by the personnel of the NASA Manned Spacecraft Center in collaboration with personnel from other government agencies, participating industry, and universities. The second successful manned suborbital space flight on July 21, 1961, in which Astronaut Virgil I. Grissom was the pilot was another step in the progressive research, development, and training program leading to the study of man's capabilities in a space environment during manned orbital flight. Data and operational experiences gained from this flight were in agreement with and supplemented the knowledge obtained from the first suborbital flight of May 5, 1961, piloted by Astronaut Alan B. Shepard, Jr. The two recent manned suborbital flights, coupled with the unmanned research and development flights, have provided valuable engineering nd scientific data on which the program can progress. The successful active participation of the pilots, in much the same way as in the development and testing of high performance aircraft, has. greatly increased our confidence in giving man a significant role in future space flight activities. It is the purpose of this report to continue the practice of providing data to the scientific community interested in activities of this nature. Brief descriptions are presented of the Project Mercury spacecraft and flight plan. Papers are provided which parallel the presentations of data published for the first suborbital space flight. Additional information is given relating to the operational aspects of the medical support activities for the two manned suborbital space flights.

Source record↗

NASA NTRS1986

Compendium of meteorology scientific issues of 1950 still outstanding

The Compendium of Meteorology was published in 1951 by the American Meteorological Society. A review was made of the Compendium of Meteorology to identify the studies and future needs which the authors expressed in their papers. The needs as seen by the authors are organized into sections and papers following the format of the Compendium of Meteorology. In some cases the needs they identified are as valid today as they were in 1951. In other cases one will easily be able to identify examples where significant progress has been made. It is left to the individual scientists and scientific program managers to assess whether significant progress has been made over the past thirty-five years on these outstanding scientific issues.

Vaughan, W. W.↗

NASA NTRS2008

Issues Regarding the Assimilation of Cloud and Precipitation Data

This is the authors' response to a set of criticisms regarding a previously published work. It briefly addresses the main criticisms. In particular, it explains why some papers identified as having some fundamental flaws were referenced in the original work without detailed exposition of those flaws. It also explains why parts of the conclusion criticized as being contradictory are, in fact, not. It further highlights the need for more publishing of scientific criticisms. In the December 2007, special issue of the Journal of Atmospheric Sciences devoted to the Workshop on Assimilation of Satellite Cloud and Precipitation Observations, the authors published an article summarizing the many critical issues that render observations of cloud and precipitation difficult to analyze. Essentially, these include the inaccuracies of both current instruments and the relationships between what is actually observed (infrared or microwave energy detected at the altitude of the satellite) to what is desired (e.g., estimates of cloud drop sizes or rain rates) and the chaotic nature of atmospheric behavior and the complex mathematics describing it. The paper also included recommendations for future research and brief descriptions of many previous works concerning the subject. One reader is now attempting to publish a criticism of that paper. Her three complaints are that there was insufficient explanation of the identification of some cited works as being fundamentally flawed, that as a review the paper should have referenced some works additional to those it did, and that two recommendations were contradictory. Each of these complaints is addressed briefly in this response. First we explain why a brief list of works cited in our paper were identified as "flawed" with only a brief explanation. The design and conduct of the experiments reported in those papers violate well-established fundamentals such that, once the errors are recognized, their interpretations are no longer supported. Unfortunately, over the years, no researchers have bothered to publish criticisms of those papers, such that there are now too many to address in any single paper not devoted to that purpose. Yet, those papers are so often cited that we could not simply ignore them. Furthermore, if we had cited them without warning our readers regarding their flaws, we would have perpetrated a great disservice. In our response, however, we do offer further explanation of why some details, neglected in these papers, are critical to proper scientific evaluation. Neither did we offer insufficient references. Although we intentionally did not claim to be a "review' paper, we did cite 100 papers. That number is approximately 5 times the usual amount cited in journal articles. Although we only referenced few papers published after 2005, that was because our manuscript was submitted in January 2006, with its final, editorially-reviewed form in June 2006. We therefore could not reference papers published after this date. The problem here is that our paper was "in press" for 18 months. Finally, we explain that a careful reading of our paper reveals that our recommendations are not contradictory. Essentially, although we recommend 2 very distinct research approaches, these are complimentary and either alone is insufficient to accelerate progress. In conclusion, we recommend that the scientific community expends greater effort in publishing careful scientific criticisms so that others do not face the same dilemma we did. Likely this requires some reward system for doing so.

Errico, Ronald M.↗

DOE OSTI2024

Basic Energy Sciences Roundtable: Foundational Science to Accelerate Nuclear Energy Innovation

Energy security, availability, and reliability are among the greatest challenges facing the nation and the planet. An abundant potential source of energy resides in the fundamental atomic building blocks of the universe in the form of nuclear fission and fusion reactions. In fact, energy from nuclear fission currently provides the majority of the world’s zero-carbon electricity, and future fusion energy systems offer great promise; carbon-free nuclear energy technologies can be key to the world’s decarbonized energy future. Although contemporary fission systems use well-established technologies to supply safe and efficient baseload power, they could be more fuel efficient and less costly. Moving beyond massive light-water fission reactors to a variety of advanced nuclear systems—which will vary in size and operate in extremes of temperature, corrosivity, and other parameters—will place stringent conditions on materials and chemical systems. New demands will be placed on the coolants and solvents, the materials, and the monitoring tools used in these reactors. Fusion-based nuclear energy will require superior materials to withstand extremely high temperatures, plasma exposure, radiation damage, and implanted gases. The advantages associated with these new fission and fusion technologies will be realized only through continued advancements in the fundamental science underpinning our knowledge of the physics and chemistry of nuclear systems gained via improved experimental and computational methods. In July 2022, the U.S. Department of Energy’s Office of Basic Energy Sciences—in coordination with the Offices of Nuclear Energy, Fusion Energy Sciences, and Advanced Scientific Computing Research—held a virtual roundtable titled “Foundational Science to Accelerate Nuclear Energy Innovation” to discuss the scientific and technical barriers for advanced nuclear energy systems. Five priority research opportunities were identified to address these scientific and technical challenges and to accelerate progress toward the realization of next-generation fusion and fission energy systems. The foundational science gaps inhibiting the advancement of nuclear energy technologies are identified and tackled in five priority research opportunities. These opportunities pave the way to accelerate the development and ultimately the adoption of new nuclear energy systems. They include the fundamental aspects of ion-electron interactions; novel properties of next-generation coolants and solvents; interfacial dynamics, not only in solids, but in other aspects of nuclear reactors; novel operando and in situ monitoring and sensing; and artificial intelligence to accelerate condensed phases discovery. Building on the foundation established by previous Basic Energy Sciences workshops, these opportunities encompass recent advances in fundamental knowledge and focus on the experimental and computational methods needed to resolve major technical challenges for nuclear energy technologies. Through developing fundamental scientific insight as well as pushing the frontiers of modeling complex systems and probing the operation of materials and chemical systems in extreme environments, research motivated by the priorities identified here will further develop the promise, potential, and utilization of nuclear energy for a clean energy future.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2023

Progressive Tree-Based Compression of Large-Scale Particle Data

Scientific simulations and observations using particles have been creating large datasets that require effective and efficient data reduction to store, transfer, and analyze. However, current approaches either compress only small data well while being inefficient for large data, or handle large data but with insufficient compression. Toward effective and scalable compression/decompression of particle positions, we introduce new kinds of particle hierarchies and corresponding traversal orders that quickly reduce reconstruction error while being fast and low in memory footprint. Our solution to compression of large-scale particle data is a flexible block-based hierarchy that supports progressive, random-access, and error-driven decoding, where error estimation heuristics can be supplied by the user. For low-level node encoding, we introduce new schemes that effectively compress both uniform and densely structured particle distributions. Our proposed methods thus target all three phases of a tree-based particle compression pipeline, namely tree construction, tree traversal, and node encoding. In conclusion, the improved efficacy and flexibility of these methods over existing compressors are demonstrated through extensive experimentation, using a wide range of scientific particle datasets.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Monsoon Extremes: Impacts, Metrics, and Synoptic-Scale Drivers

This project was led by UC Berkeley with a subcontract to UC Davis and collaborative funding at the Lawrence Berkeley National Lab (LBNL). It produced new understanding of transient atmospheric disturbances in monsoon regions, the precipitation extremes they produce, and the sensitivity of precipitation and monsoon winds to fine-scale orography (i.e., the narrow mountain ranges that are difficult to represent in conventional Earth system models). Fundamental research undertaken as part of this project led to discovery of new mechanisms that control the generation of extreme weather events and that govern the spatial patterns of intense precipitation in monsoon climates—including the North American monsoon. These research accomplishments are summarized below and documented in a series of 23 publications, 20 of which were led by project personnel (the others were collaborative work led by staff of other projects). One of the publications produced by this project was in Nature, where it was selected for the main cover image, and another was in PNAS. The project also produced two datasets and a tracking algorithm, both of which are publicly available and listed below. The project trained three Ph.D. students and four postdoctoral scientists, the vast majority of whom have progressed to more advanced positions in their scientific careers. Although the university funding for this project ended in 2022, the LBNL component of the project proceeded for almost one year longer; this report is being provided after completion of all components of the project.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2016

Big Data Analytics and Machine Intelligence Capability Development at NASA Langley Research Center: Strategy, Roadmap, and Progress

In 2014, a team of researchers, engineers and information technology specialists at NASA Langley Research Center developed a Big Data Analytics and Machine Intelligence Strategy and Roadmap as part of Langley's Comprehensive Digital Transformation Initiative, with the goal of identifying the goals, objectives, initiatives, and recommendations need to develop near-, mid- and long-term capabilities for data analytics and machine intelligence in aerospace domains. Since that time, significant progress has been made in developing pilots and projects in several research, engineering, and scientific domains by following the original strategy of collaboration between mission support organizations, mission organizations, and external partners from universities and industry. This report summarizes the work to date in Data Intensive Scientific Discovery, Deep Content Analytics, and Deep Q&A projects, as well as the progress made in collaboration, outreach, and education. Recommendations for continuing this success into future phases of the initiative are also made.

Ambur, Manjula Y.↗

DOE OSTI2023

Basic Research Needs in Quantum Computing and Networking

Employing quantum mechanical resources in computing, information processing, and networking opens the door to potential exponential advantages over classical counterparts. However, quantifying and realizing such advantages poses extensive scientific and engineering challenges. Department of Energy (DOE) investments have driven steady progress in addressing such challenges. Recently developed quantum algorithms offer asymptotic exponential advantages in speed or accuracy for fundamental scientific problems. These problems include simulating physical systems, solving systems of linear equations, differential equations, and optimization problems. Empirical demonstrations on nascent quantum hardware suggest better performance on contrived computational tasks than classical analogs. However, the requirements for a quantum computer or network to demonstrate an end-to-end rigorously quantifiable performance improvement over classical analogs remains a grand challenge, especially for problems of practical value. In particular, what will be required for quantum technology to ultimately exhibit scalable, rigorous, and transformative performance advantages for practical applications? In July 2023, DOE’s Advanced Scientific Computing Research program in the Office of Science convened the Workshop on Basic Research Needs in Quantum Computing and Networking, where major opportunities and grand challenges were identified. The following five priority research directions (PRDs) were identified as a result of the workshop.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2022

High-Field Design Concept for Second Interaction Region of the Electron-Ion Collider

Efficient realization of the scientific potential of the Electron Ion Collider (EIC) calls for addition of a future second Interaction Region (2nd IR) and a detector in the RHIC IR8 region after the EIC project completion. The second IR and detector are needed to independently cross-check the results of the first detector, and to provide measurements with complementary acceptance. The available space in the existing RHIC IR8 and maximum fields achievable with NbTi superconducting magnet technology impose constraints on the 2nd IR performance. Since commissioning of the 2nd IR is envisioned in a few years after the first IR, such a long time frame allows for more R&D on the Nb₃Sn magnet technology. Thus, it could provide a potential alternative technology choice for the 2nd IR magnets. Presently, we are exploring its potential benefits for the 2nd IR performance, such as improvement of the luminosity and acceptance, and are also assessing the technical risks associated with use of Nb₃Sn magnets. In this paper, we present the current progress of this work.

43 PARTICLE ACCELERATORS↗

DOE OSTI2024

Electronic structure simulations in the cloud computing environment

The transformative impact of modern computational paradigms and technologies, such as high-performance computing, quantum computing, and cloud computing, has opened up profound new opportunities for scientific simulations. Scalable computational chemistry is one beneficiary of this technological progress. The main focus of this paper is on the performance of various quantum chemical formulations, ranging from low-order methods to high-accuracy approaches, implemented in different computational chemistry packages, such as NWChem, NWChemEx, SPEC, ExaChem, and FLOSIC codes on the Azure Quantum Element (AQE) Microsoft cloud services. We pay particular attention to the intricate workflows for performing composite chemistry simulations, associated data curation, and mechanisms for accuracy assessment, as defined by the enabling cloud Computational Chemistry as a Service (CCaaS). Our focus also extends to Arrows' automated workflow for high throughput simulations. Finally, we provide a perspective on the role of cloud computing in supporting the mission of leadership computational facilities (LCFs).

computational chemistry, electronic structure, Clo↗