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The DUNE Far Detector Interim Design Report, Volume 2: Single-Phase Module

The DUNE IDR describes the proposed physics program and technical designs of the DUNE far detector modules in preparation for the full TDR to be published in 2019. It is intended as an intermediate milestone on the path to a full TDR, justifying the technical choices that flow down from the high-level physics goals through requirements at all levels of the Project. These design choices will enable the DUNE experiment to make the ground-breaking discoveries that will help to answer fundamental physics questions. Volume 2 describes the single-phase module's subsystems, the technical coordination required for its design, construction, installation, and integration, and its organizational structure.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

The DUNE Far Detector Interim Design Report, Volume 2: Single-Phase Module

The DUNE IDR describes the proposed physics program and technical designs of the DUNE far detector modules in preparation for the full TDR to be published in 2019. It is intended as an intermediate milestone on the path to a full TDR, justifying the technical choices that flow down from the high-level physics goals through requirements at all levels of the Project. These design choices will enable the DUNE experiment to make the ground-breaking discoveries that will help to answer fundamental physics questions. Volume 2 describes the single-phase module's subsystems, the technical coordination required for its design, construction, installation, and integration, and its organizational structure.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Flight motor set 360L001 (STS-26R). Volume 5: Nozzle component

A review of the performance and post-flight condition of the STS-26 Redesigned Solid Rocket Motor (RSRM) nozzles is presented. The nozzle assemblies, flown on the Space Shuttle Discovery on 29 September 1988, were tested to demonstrate flex bearing system reusability. The evaluation indicated no condition that would adversely affect the reusability of the flex bearing system. Inspection showed that the flex bearings did not leak, were not damaged by water impact, had the expected erosion profiles, and that the remaining ablative liner thicknesses met the performance margin of safety. Applicable Discrepancy Reports and Process Departures, the Nozzle Component Program Team performance evaluation, and the Redesign Program Review Board assessment are included.

George, Russell J.↗

NASA's Space Launch System Moves into Testing and Integration

NASA's Space Launch System (SLS) has moved from design and manufacturing into testing and integration for its first flight in fiscal year 2020. In 2017, the NASA/industry team completed manufacturing of all major structural elements for the launch vehicle for Exploration Mission-1 (EM-1). This work included shipping the first major flight hardware element to the launch site. Current work is focused on the initial Block 1 variant of SLS, capable of launching more than 70 metric tons (t) to low Earth orbit (LEO). As the needs of the nation's deep space exploration program grow, SLS performance is designed to evolve to a payload mass of 130 t to LEO and up to 45 metric tons (t) to trans-lunar injection (TLI). The advantages of this mass - as well as volume - are critical to the entire exploration architecture for deep space exploration. They translate to greater capability, greater infrastructure and operational simplicity, less overall mission risk, and opportunities to accomplish unprecedented exploration and discovery.

Honeycutt, John↗

Empowering Scientific Innovation Through An Integrated Research Infrastructure: The Role of the Advanced Computing Ecosystem

As the landscape of computational science evolves, the Department of Energy (DOE) is reimagining the roles of its large-scale computing facilities to meet emerging research challenges. The Integrated Research Infrastructure (IRI) program aims to transform how experiments are designed, conducted, and shared, with significant impacts on all stakeholders. In response, the Oak Ridge Leadership Computing Facility (OLCF) has established the Advanced Computing Ecosystem (ACE), a strategic framework to prepare its hardware, software, and experimental capabilities for the IRI era. ACE focuses on integrating novel compute environments, orchestrating advanced workflows, and developing foundational technologies, ensuring a seamless transition to IRI while accelerating scientific discovery. This paper outlines ACE's role in advancing OLCF's mission and its impact on the future of computational science.

Widener, Patrick↗

Creating Portfolio Management Concepts for Highly Agile and Innovative Government Research Programs Using Design Thinking and Lean Startup Methodologies

Managing a research and development (R&D) portfolio presents numerous challenges, such as prioritizing research areas, remaining agile, strategic workforce planning, and measuring return on investment, impact, and innovation. One government R&D program is charged with producing a high degree of innovative, transformational breakthroughs in aviation technology. A practical, structured methodology for strategically prioritizing emerging aviation R&D in such an environment is lacking. The existing multi-criteria decision aid tools are primarily utilized at an enterprise level, take months to set up and collect data, require large teams of experts, are used on an infrequent basis, and are not conducive to a highly innovative, high-risk portfolio. Prior to audaciously creating a new portfolio prioritization process, the exact challenges with portfolio management for R&D projects were identified using the design thinking and lean start-up methods. A key part of this discovery process was interviewing stakeholders, as well as other managers of organizations charged with producing innovative portfolios. These interviews, as well as additional techniques, were used to develop a deeper understanding of the challenges and, subsequently, lay the foundation for development of an effective portfolio prioritization process. Four potential concepts that represent key findings emerged: carefully selected criteria for portfolio assessment and selection, targeted portfolio turnover rate, dynamic portfolio prioritization framework, and streamlined transition or commercialization of R&D. Acting on any one of the resulting portfolio management concepts will increase the transparency and confidence in portfolio decisions and, ideally, result in a greater degree of transformational breakthroughs in aviation technology.

project portfolio management↗

The design, implementation, and performance of the LZ calibration systems

LUX-ZEPLIN (LZ) is a tonne-scale experiment searching for direct dark matter interactions and other rare events. It is located at the Sanford Underground Research Facility (SURF) in Lead, South Dakota, USA. The core of the LZ detector is a dual-phase xenon time projection chamber (TPC), designed with the primary goal of detecting Weakly Interacting Massive Particles (WIMPs) via their induced low energy nuclear recoils. Surrounding the TPC, two veto detectors immersed in an ultra-pure water tank enable reducing background events to enhance the discovery potential. Intricate calibration systems are purposely designed to precisely understand the responses of these three detector volumes to various types of particle interactions and to demonstrate LZ's ability to discriminate between signals and backgrounds. In this paper, we present a comprehensive discussion of the key features, requirements, and performance of the LZ calibration systems, which play a crucial role in enabling LZ's WIMP-search and its broad science program. The thorough description of these calibration systems, with an emphasis on their novel aspects, is valuable for future calibration efforts in direct dark matter and other rare-event search experiments.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Reduction and analysis of photometric data on Comet Halley

The discovery that periodic variations in the brightness of Comet Halley were characterized by two unrelated frequencies implies that the nucleus is in a complex state of rotation. It either nutates as a result of the random addition of small torque perturbations accumulated over many perihelion passages, or the jet activity torques are so strong that it precesses wildly at each perihelion passage. To diagnose the state of nuclear rotation, researchers began a program to acquire photometric time series of the comet as it recedes from the sun. The intention is to observe the decay of the comet's atmosphere and then, when it is unemcumbered by the light of the coma, follow the light variation of the nucleus itself. The latter will be compared with preperihelion time series and the orientation of the nucleus at the time of Vega and Giotto flybys and an accurate rotational ephemeris constructed. Halley was observed on 38 nights during 1987 and approximately 21 nights in 1988. The comet moved from 5 AU to 8.5 AU during this time. The brightness of the coma was found to rapidly decrease in 1988 as the coma and cometary activity collapses. The magnitude in April 1988 was 19 mag (visual) and it is predicted that the nucleus itself will be the major contributor to the brightness in the 1988 and 1989 season.

Belton, Michael J. S.↗

Toward accelerating rare-earth metal extraction using equivariant neural networks

The separation of rare-earth metals, vital for numerous advanced technologies, is hampered by their similar chemical properties, making ligand discovery a significant challenge. Traditional experimental and quantum chemistry approaches for identifying effective ligands are often resource-intensive. We introduce a machine learning protocol based on an equivariant neural network, Allegro, for the rapid and accurate prediction of binding energies in rare-earth complexes. Key to this work is our newly curated dataset of rare-earth metal complexes—made publicly available to foster further research—systematically generated using the Architector program. This dataset distinctively features functionalized derivatives of proven rare-earth-chelating scaffolds, hydroxypyridinone (HOPO), catecholamide (CAM), and their thio-analogues, selected for their established efficacy in binding these elements. Trained on this valuable resource, our Allegro models demonstrate excellent performance, particularly when trained to directly predict DFT-level binding energies, yielding highly accurate results that closely correlate with theoretical calculations on a diverse test set. Furthermore, this strategy exhibited strong out-of-sample generalization, accurately predicting binding energies for an isomeric HOPO-derivative ligand not seen during training. By substantially reducing computational demands, this machine learning framework, alongside the provided dataset, represent powerful tools to accelerate the high-throughput screening and rational design of novel ligands for efficient rare-earth metal separation.

Gupta, Ankur K. [Lawrence Berkeley National Labora↗

Human Space Flight and Future Major Space Astrophysics Missions: Servicing and Assembly

Some concepts for candidate future "flagship" space observatories approach the payload limits of the largest launch vehicles planned for the next few decades, specifically in the available volume in the vehicle fairing. This indicates that an alternative to autonomous self-deployment similar to that of the James Webb Space Telescope will eventually be required. Moreover, even before this size limit is reached, there will be significant motivation to service, repair, and upgrade in-space missions of all sizes, whether to extend the life of expensive facilities or to replace outworn or obsolete onboard systems as was demonstrated so effectively by the Hubble Space Telescope program. In parallel with these challenges to future major space astronomy missions, the capabilities of in-space robotic systems and the goals for human space flight in the 2020s and 2030s offer opportunities for achieving the most exciting science goals of the early 21st Century. In this paper, we summarize the history of concepts for human operations beyond the immediate vicinity of the Earth, the importance of very large apertures for scientific discovery, and current capabilities and future developments in robot- and astronaut-enabled servicing and assembly.

Hubble Space Telescope↗

NASA Space Launch System Operations Outlook

The National Aeronautics and Space Administration's (NASA) Space Launch System (SLS) Program, managed at the Marshall Space Flight Center (MSFC), is working with the Ground Systems Development and Operations (GSDO) Program, based at the Kennedy Space Center (KSC), to deliver a new safe, affordable, and sustainable capability for human and scientific exploration beyond Earth's orbit (BEO). Larger than the Saturn V Moon rocket, SLS will provide 10 percent more thrust at liftoff in its initial 70 metric ton (t) configuration and 20 percent more in its evolved 130-t configuration. The primary mission of the SLS rocket will be to launch astronauts to deep space destinations in the Orion Multi- Purpose Crew Vehicle (MPCV), also in development and managed by the Johnson Space Center. Several high-priority science missions also may benefit from the increased payload volume and reduced trip times offered by this powerful, versatile rocket. Reducing the lifecycle costs for NASA's space transportation flagship will maximize the exploration and scientific discovery returned from the taxpayer's investment. To that end, decisions made during development of SLS and associated systems will impact the nation's space exploration capabilities for decades. This paper will provide an update to the operations strategy presented at SpaceOps 2012. It will focus on: 1) Preparations to streamline the processing flow and infrastructure needed to produce and launch the world's largest rocket (i.e., through incorporation and modification of proven, heritage systems into the vehicle and ground systems); 2) Implementation of a lean approach to reach-back support of hardware manufacturing, green-run testing, and launch site processing and activities; and 3) Partnering between the vehicle design and operations communities on state-of-the-art predictive operations analysis techniques. An example of innovation is testing the integrated vehicle at the processing facility in parallel, rather than sequentially, saving both time and money. These themes are accomplished under the context of a new cross-program integration model that emphasizes peer-to-peer accountability and collaboration towards a common, shared goal. Utilizing the lessons learned through 50 years of human space flight experience, SLS is assigning the right number of people from appropriate backgrounds, providing them the right tools, and exercising the right processes for the job. The result will be a powerful, versatile, and capable heavy-lift, human-rated asset for the future human and scientific exploration of space.

Hefner, William Keith↗

NASA Space Launch System Operations Outlook

The National Aeronautics and Space Administration's (NASA) Space Launch System (SLS) Program, managed at the Marshall Space Flight Center (MSFC), is working with the Ground Systems Development and Operations (GSDO) Program, based at the Kennedy Space Center (KSC), to deliver a new safe, affordable, and sustainable capability for human and scientific exploration beyond Earth's orbit (BEO). Larger than the Saturn V Moon rocket, SLS will provide 10 percent more thrust at liftoff in its initial 70 metric ton (t) configuration and 20 percent more in its evolved 130-t configuration. The primary mission of the SLS rocket will be to launch astronauts to deep space destinations in the Orion Multi-Purpose Crew Vehicle (MPCV), also in development and managed by the Johnson Space Center. Several high-priority science missions also may benefit from the increased payload volume and reduced trip times offered by this powerful, versatile rocket. Reducing the life-cycle costs for NASA's space transportation flagship will maximize the exploration and scientific discovery returned from the taxpayer's investment. To that end, decisions made during development of SLS and associated systems will impact the nation's space exploration capabilities for decades. This paper will provide an update to the operations strategy presented at SpaceOps 2012. It will focus on: 1) Preparations to streamline the processing flow and infrastructure needed to produce and launch the world's largest rocket (i.e., through incorporation and modification of proven, heritage systems into the vehicle and ground systems); 2) Implementation of a lean approach to reachback support of hardware manufacturing, green-run testing, and launch site processing and activities; and 3) Partnering between the vehicle design and operations communities on state-ofthe- art predictive operations analysis techniques. An example of innovation is testing the integrated vehicle at the processing facility in parallel, rather than sequentially, saving both time and money. These themes are accomplished under the context of a new cross-program integration model that emphasizes peer-to-peer accountability and collaboration towards a common, shared goal. Utilizing the lessons learned through 50 years of human space flight experience, SLS is assigning the right number of people from appropriate backgrounds, providing them the right tools, and exercising the right processes for the job. The result will be a powerful, versatile, and capable heavy-lift, human-rated asset for the future human and scientific exploration of space.

Hefner, William Keith↗

A Standard Operating Procedure for the Inadvertent Discovery of Native American Human Remains and Associated Funerary Objects, Sacred Objects, or Objects of Cultural Patrimony at Los Alamos National Laboratory

Los Alamos National Laboratory (LANL or Laboratory) is one of several national laboratories that support the mission of the United States Department of Energy (DOE), National Nuclear Security Administration (NNSA), Los Alamos Field Office (Field Office). It is located in Los Alamos and Santa Fe Counties, New Mexico. LANL occupies approximately 40 square miles of land owned by the U.S. Government and under the administrative control of DOE/NNSA. Cultural resources management at LANL is the responsibility of the Field Office’s Cultural Resources Program Manager, with the assistance and facilitation of the LANL Environmental Stewardship Group (ES) Cultural Resources Programs (archaeology and historic buildings), which are part of the LANL Environmental Protection and Compliance (EPC) Division. LANL, which is primarily located on the Pajarito Plateau, is extremely rich in cultural resources. Nearly 2,000 archaeological sites have been recorded at LANL, based on the systematic archaeological survey of ~90% of LANL lands. Most of the known sites (~ 85%) date from the Ancestral Pueblo Late Coalition and Classic Periods of around AD 1150 to 1600. The remaining sites date to the Archaic Period (ca. 5500 BC to 600 AD), the Late Developmental and Early Coalition Periods (ca. 900 to 1200), and the Homestead Period (ca. 1890 to 1942).

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Discovery of a Peptoid-Based Nanoparticle Platform for Therapeutic mRNA Delivery via Diverse Library Clustering and Structural Parametrization

Nanoparticle-mediated mRNA delivery has emerged as a promising therapeutic modality, but its growth is still limited by the discovery and optimization of effective and well-tolerated delivery strategies. Lipid nanoparticles containing charged or ionizable lipids are an emerging standard for in vivo mRNA delivery, so creating facile, tunable strategies to synthesize these key lipid-like molecules is essential to advance the field. Here, we generate a library of N-substituted glycine oligomers, peptoids, and undertake a multistage down-selection process to identify lead candidate peptoids as the ionizable component in our Nutshell nanoparticle platform. First, we identify a promising peptoid structural motif by clustering a library of >200 molecules based on predicted physical properties and evaluate members of each cluster for reporter gene expression in vivo. Then, the lead peptoid motif is optimized using design of experiments methodology to explore variations on the charged and lipophilic portions of the peptoid, facilitating the discovery of trends between structural elements and nanoparticle properties. We further demonstrate that peptoid-based Nutshells leads to expression of therapeutically relevant levels of an anti-respiratory syncytial virus antibody in mice with minimal tolerability concerns or induced immune responses compared to benchmark ionizable lipid, DLin-MC3-DMA. Through this work, we present peptoid-based nanoparticles as a tunable delivery platform that can be optimized toward a range of therapeutic programs.

59 BASIC BIOLOGICAL SCIENCES↗

The Spartan 1 mission

The first Spartan mission is documented. The Spartan program, an outgrowth of a joint Naval Research Laboratory (NRL)/National Aeronautics and Space Administration (NASA)-Goddard Space Flight Center (GSFC) development effort, was instituted by NASA for launching autonomous, recoverable payloads from the space shuttle. These payloads have a precise pointing system and are intended to support a wide range of space-science observations and experiments. The first Spartan, carrying an NRL X-ray astronomy instrument, was launched by the orbiter Discovery (STS51G) on June 20, 1985 and recovered successfully 45 h later, on June 22. During this period, Spartan 1 conducted a preprogrammed series of observations of two X-ray sources: the Perseus cluster of galaxies and the center of our galaxy. The mission was successful from both on engineering and a scientific viewpoint. Only one problem was encountered, the attitude control system (ACS) shut down earlier than planned because of high attitude control system gas consumption. A preplanned emergency mode then placed Spartan 1 into a stable, safe condition and allowed a safe recovery. The events are described of the mission and presents X-ray maps of the two observed sources, which were produced from the flight data.

Cruddace, Raymond G.↗

The Spartan 1 mission

The first Spartan mission is documented. The Spartan program, an outgrowth of a joint Naval Research Laboratory (NRL)/National Aeronautics and Space Administration (NASA)-Goddard Space Flight Center (GSFC) development effort, was instituted by NASA for launching autonomous, recoverable payloads from the Space Shuttle. These payloads have a precise pointing system and are intended to support a wide range of space-science observations and experiments. The first Spartan, carrying an NRL X-ray astronomy instrument, was launched by the orbiter Discovery (STS51G) on June 20, 1985 and recovered successfully 45 h later, on June 22. During this period, Spartan 1 conducted a preprogrammed series of observations of two X-ray sources: the Perseus cluster of galaxies and the center of our galaxy. The mission was successful from both on engineering and a scientific viewpoint. Only one problem was encountered, the attitude control system (ACS) shut down earlier than planned because of high attitude control system gas consumption. A preplanned emergency mode then placed Spartan 1 into a stable, safe condition and allowed a safe recovery. The events are described of the mission and presents X-ray maps of the two observed sources, which were produced from the flight data.

Cruddace, R. G.↗

Science, Exploration and the Human Experience.

Dr. Darlene S. Lim is a research scientist at NASA's Ames Research Center in California's Silicon Valley, and the Deputy Project Scientist and Science Operations Lead for NASA's Volatiles Investigating Polar Exploration Rover (VIPER) Lunar Mission. The VIPER lunar rover mission is a mobile robot that will go to the South Pole of the Moon to get a close-up view of the location and concentration of water ice that could eventually be harvested to sustain human exploration on the Moon, Mars — and beyond. VIPER represents the first resource mapping mission on another celestial body and presents a unique operational paradigm within the history of robotic spaceflight. Throughout her career, Darlene has led several NASA-funded programs that have been focused on blending field science research with the development of capabilities and concepts for future human-robotic spaceflight to the Moon and Mars. These research activities have taken her around the world, from pole to pole, land to sea, and to many lakes in between, where she has studied life in extreme environments, the way people conduct science, and how they need to be supported in their work of discovery and exploration. At the center of each of these endeavors is the human - the person who must interact with others, with technology, and with the environment of interest, to apply the scientific method towards the accrual and expansion of knowledge about the planet that we live on and beyond. Darlene has been working with teams of scientists and engineers from a variety of disciplines to hone her understanding of the process by which their interactions and research needs can be supported and enabled under intense operational conditions such as those associated with Moon and Mars exploration. Darlene’s presentation will take the audience through the arc of her research over the past two decades culminating in her on-going work with the NASA VIPER lunar rover mission.

Darlene Sze Shien Lim↗

Day-of-Launch I-load Updates for the Space Shuttle

Approximately one hour prior to the September 1991 launch of the Space Shuttle Discovery on STS-48, new guidance commands were uplinked to the onboard computers, allowing the vehicle to fly safely through unusually strong upper atmosphere winds. The capability to update the vehicle guidance commands known as Day-of-Launch I-load Update (DOLILU), had been developed by a NASA/industry team, and was certified for flight use in August 1991 following an extensive testing regime. The DOLILU capability presents several benefits to the Space Shuttle Program. Not only does it reduce the possibility of a launch scrub due to unexpected wind profiles at high altitude, it is also a major first step toward standardization of the ascent flight profile, and which will reduce the cost of flight software verification commit-to-flight trajectory analysis, and flight crew training.

Norbraten, G. L.↗