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DOE OSTI2021

Expanded Capabilities and Opportunities for Virtual Beamline Code

In the 25 years since LLNL broke ground on the National Ignition Facility (NIF) - a cornerstone of the National Nuclear Security Administration’s Stockpile Stewardship Program - the NIF and Photon Science (NIF&PS) Directorate has steadily pushed the boundaries of laser physics, nonlinear optics, and photonics in service of inertial confinement fusion experiments, and advanced photon sources development. Beyond the 192 beamlines of the primary laser facility with its world-record energy and fusion yields, NIF&PS capabilities have expanded to include chirped-pulse amplification, kilojoule petawatt-class short-pulse systems to generate hard x-ray radiographic probes, high-average power lasers as secondary sources for generation or wake field particle acceleration along directed energy applications, and other scientific pursuits. The Computing Directorate partners with NIF&PS on numerous projects and technologies from diagnostic measurements and high performance control systems to data analysis, information technology infrastructure, and scientific simulation code development. “This strong collaboration enables cutting-edge science, particularly with regard to physics-based modeling and simulation,” says physicist Jean-Michel Di Nicola. One crucial capability for NIF&PS is the Virtual Beamline (VBL) laser simulation code. It can model all the major laser physics and technology involved in the design optimization, commissioning, and operations of advanced laser architectures from tabletop to NIF-scale. VBL provides researchers with high-fidelity models and high-resolution calculations of laser performance predictions—including for the entire NIF laser system, the Advanced Radiographic Capability, parts of the High Repetition-Rate Advanced Petawatt Laser System laser delivered to the Czech Republic, and the Optical Science Laser. After more than two decades of experimentally verified physics and computing enhancements, this unique workhorse code is wrapping up another major milestone: migration from Java to C++ with a flurry of user interface and optimization features, as well as laser physics and high-resolution enhancements thanks to parallel execution on Livermore Computing platforms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2026

Environmental Extremes: Building a New Research Partnership between the University of Nevada Reno and the Pacific Northwest National Laboratory (Final Report)

This project focused on strengthening research partnership and collaboration between the University of Nevada, Reno (UNR) and the Pacific Northwest National laboratory (PNNL) in two focused areas: wildfires and hydrology in the context of environmental extremes. The goal was to overcome barriers and bring UNR university researchers, students, and postdocs up to speed and entrained into DOE/SC/BER /Earth and Environmental System Science Division’s (EESSD) environmental research enterprise. UNR continues to work with the Earth and Biological Sciences Directorate (EBSD) at PNNL to create a broad new collaborative research program connecting scientists and research faculty at the two institutions. This research partnership has been designed to increase the capabilities and velocities of both institutions by developing long-term relationships between researchers from each institution, exposing university researchers to the deep capabilities in the DOE National Laboratories and user facilities, and establishing a pipeline of skilled and experienced graduate students and postdoctoral researchers ready to work alongside DOE scientists to take on grand challenge science problems. These collaborations are intended to ultimately benefit the public by advancing scientific discovery, unleashing the scientific potentials through collaboration and connection, enriching the technical and scientific competitiveness of our nation, and enabling the development of a skilled workforce to tackle the critical scientific challenges that face our nation’s security, infrastructure, and prosperity.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2024

Deeper Dive into Interoperability and Its Implications for LunaNet Communications and Navigation Services

The Artemis program being developed by United States’ (US) National Aeronautics and Space Administration (NASA) is developing the capabilities to return humans to the Moon and establish an initial base camp and associated infrastructure with extensive contributions from international and commercial partners. In planning for cislunar exploration and science missions, space agencies are collaborating to enable communications, networking, and Positioning, Navigation, and Timing (PNT) systems—called LunaNet—to exchange information and provide services to cislunar spacecraft and space systems, thus helping each other to achieve their shared goals. To achieve commonality and lower cost for mutual benefit, the strategy of interoperability is being adopted to help fit all the pieces together and function smoothly. Facilitating interoperability should benefit lunar missions by providing the ability to operate in a collaborative environment similar to the terrestrial Internet. Interoperability allows them to share information, navigate safely despite increasing radio frequency congestion, and follow common processes and procedures for effective joint operations. Unlike prior government-dominated efforts, this ecosystem is expected to include and benefit for-profit (commercial) businesses, non-profit organizations, and academic institutions as active stakeholders. Ultimately, the goal is to enable a cislunar ecosystem of service providers and users to contribute to and/or utilize infrastructure and capabilities to achieve mission objectives that span the full range of human endeavors while supporting a variety of business models. This approach enables a Systems of Systems (SoS), such as a Network-of-Networks, to be sustainable in the context of the LunaNet ecosystem as systems evolve over time in technologies, standards, components, and user applications. This paper reports on the results of an effort to help frame the development of the international LunaNet architecture by providing a canonical definition of interoperability broad enough to meet these needs, examining architectural and operational implications of the definition, and exploring interoperability strategies and tactics to deploy and evolve the services proposed for cislunar exploration and science missions.

interoperability↗

NASA NTRS2016

Partnering With NASA JSC for Community Research Needs; Collaborative and Student Opportunities via Jacobs and PSAMS Initiative

NASA Johnson Space Center's (JSC's) Astromaterials Research and Exploration Science (ARES) Division houses a unique combination of laboratories and other assets for conducting cutting-edge planetary research. These facilities have been accessed for decades by outside scientists; over the past five years, the 16 full time contract research and technical staff members in our division have hosted a total of 223 visiting researchers, representing 35 institutions. In order to continue to provide this level of support to the planetary sciences community, and also expand our services and collaboration within the broader scientific community, we intend to submit a proposal to NASA specifically for facilities support and establishment of our laboratories as a collective, PSAMS, Planetary Sample Analyses and Mission Science. This initiative should result in substantial cost savings to PIs with NASA funding who wish to use our facilities. Another cost saving could be realized by aggregating visiting user experiments and analyses through COMPRES, which would be of particular interest to researchers in earth and material sciences. JSC is a recognized NASA center of excellence for curation, and in future will allow PIs and mission teams easy access to samples in Curation facilities that they have been approved to study. Our curation expertise could also be used for a collection of experimental run products that could be shared and distributed to COMPRES community members. These experimental run products could range from 1 bar controlled atmosphere furnace, piston cylinder, multi-anvil, CETUS (see companion abstract), to shocked products. Coordinated analyses of samples is one of the major strengths of our division, where a single sample can be prepared with minimal destruction for a variety of chemical and structural analyses, from macro to nano-scale.

Danielson, Lisa↗

NASA NTRS2016

Partnering With NASA JSC for Community Research Needs; Collaborative and Student Opportunities via Jacobs and PSAMS Initiative

Danielson, Lisa↗

NASA NTRS2004

A Summer Research Program of NASA/Faculty Fellowships at the Jet Propulsion Laboratory

The NASA Faculty Fellowship Program (NFFP) is designed to give college and university faculty members a rewarding personal as well as enriching professional experience. Fellowships are awarded to engineering and science faculty for work on collaborative research projects of mutual interest to the fellow and his or her JPL host colleague. The Jet Propulsion Laboratory (JPL) and the California Institute of Technology (Caltech) have participated in the NASA Faculty Fellowship Program for more than 25 years. Administrative offices are maintained both at the Caltech Campus and at JPL; however, most of the activity takes place at JPL. The Campus handles all fiscal matters. The duration of the program is ten continuous weeks. Fellows are required to conduct their research on-site. To be eligible to participate in the program, fellows must be a U.S. citizen and hold a teaching or research appointment at a U.S. university or college. The American Society of Engineering Education (ASEE) contracts with NASA and manages program recruitment. Over the past several years, we have made attempts to increase the diversity of the participants in the NFFP Program. A great deal of attention has been given to candidates from minority-serving institutions. There were approximately 100 applicants for the 34 positions in 2002. JPL was the first-choice location for more than half of them. Faculty from 16 minority-serving institutions participated as well as four women. The summer began with an orientation meeting that included introduction of key program personnel, and introduction of the fellows to each other. During this welcome, the fellows were briefed on their obligations to the program and to their JPL colleagues. They were also given a short historical perspective on JPL and its relationship to Caltech and NASA. All fellows received a package, which included information on administrative procedures, roster of fellows, seminar program, housing questionnaire, directions to JPL, maps of the local area, and a copy of the JPL Universe (a JPL newsletter). A calendar of events for the 2002 NFFP Program was designed to expose the fellows to the full range of JPL activities, seminars, tours, and trips to NASA Dryden, Goldstone, and Palomar Observatory. Weekly brown-bag lunches were also scheduled. The lunches provided a time for airing problems that may have arisen during the previous week, soliciting suggestions for program enhancement, announcements, and general socializing. Professor and Mrs. Albee also hosted the annual Summer Faculty Welcome Party at their home. During their ten-week tenure at JPL, the visiting faculty carried out projects in a wide variety of JPL's science, engineering, and technology disciplines, including communication, planetary science, materials research, reliability and quality assurance, astronomy, guidance and control, and micro-sensors. At the end of the NFFP Program, all fellows were required to complete a one-page summary of their summer s work. This was in addition to any documentation required by their host organization. Distribution of the final paycheck was dependent upon submission of this one-page summary and completion of NASA's NFFP evaluation in the EdCATS system. Fellows were also asked to complete a questionnaire for JPL, which enables the program administrators to make any appropriate changes to make the program more beneficial and effective for all involved. The 2002 NFFP Program at JPUCaltech was considered unanimously highly successful by both fellows and JPL colleagues. It provided a significant experience to most faculty members and fresh ideas to JPL researchers. Each year, suggestions for improvement include expansion of the program, longer terms, larger stipends, funds to support graduate students, and funds to continue collaborative research. The NASA Faculty Fellowship Program continues to occupy a significant place in JPL programs and serves to strengthen the ties between NASA, JPL, Caltech, and t academic community. This program is an important part of NASA's commitment to education. No inventions or patents were created during this program.

Albee, Arden↗

NASA NTRS1992

Applied aerodynamics experience for secondary science teachers and students

The Department of Aerospace Engineering, Mechanics & Engineering Science at the University of Florida in conjunction with the Alachua County, Florida School Board has embarked on a four-year project of university-secondary school collaboration designed to enhance mathematics and science instruction in secondary school classrooms. The goals are to provide teachers with a fundamental knowledge of flight sciences, and to stimulate interest among students, particularly women and minorities, toward careers in engineering, mathematics, and science. In the first year of the project, all thirteen of the eighth grade physical science teachers and all 1200 of the eighth grade physical science students in the county participated. The activities consisted of a three-day seminar taught at the college level for the teachers, several weeks of classroom instruction for all the students, and an airport field trip for a subgroup of about 430 students that included an orientation flight in a Cessna 172 aircraft. The project brought together large numbers of middle school students, teachers, undergraduate and graduate engineering students, school board administrators, and university engineering faculty.

Abbitt, John D., III↗

DOE OSTI2021

The First Neptunium Dioxide Neutron Diffraction Experiment at HFIR

Here we present the first neutron diffraction experiment of a 50 mg sample of neptunium(IV) dioxide (NpO 2 ) powder at the High Flux Isotope Reactor (HFIR) using the wide-angle neutron diffractometer (WAND 2 ) HB-2C. We also provide a brief literature survey to pinpoint gaps in the crystal, electronic, and magnetic structure of NpO 2 to determine the optimum experiment to be pursued in the next HFIR user proposal cycle. Characterizing actinide materials with neutron diffraction, inelastic scattering, neutron imaging, polarized neutron studies, and small-angle neutron scattering techniques will increase our understanding of 5f electron behavior and elucidate atomic and magnetic structural properties. This strategy will help fill gaps in the literature and provide theoretical physicists with the data needed to build physical and chemical models to guide and validate computational methods. These methods may be used for predicting structural and chemical features of actinide-based materials. This proof-of-principle effort begins to uncover how to advance actinide science and technology at Oak Ridge National Laboratory (ORNL) using neutron capabilities. This effort has already sparked collaborative discussions between researchers outside the Radioisotope Science and Technology Division, including theoretical physicists from the Nuclear Nonproliferation Division and beamline scientists in the Neutron Scattering Division. We intend to continue pursuing neutron experiments and develop a scientific strategy focused on studying transuranium elements (e.g., Np, Pu, Am, and Cm) using the advanced neutron capabilities at ORNL.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS1993

SeaWiFS Technical Report Series. Volume 8: Proceedings of the First SeaWiFS Science Team Meeting

The first meeting of the SeaWiFS Science Team was held in preparation for a launch of the SeaStar satellite carrying the SeaWiFS ocean color scanner in the October 1993 time frame. The primary goals of the meeting were: (1) to brief Science Team members, agency representatives, and international collaborators on the status of the mission by representatives from the SeaWiFS Project, the prime contractor Orbital Sciences Corporation (OSC), and the Goddard Distributed Active Archive Center (DAAC); (2) to provide for briefings on the science investigations undertaken by Science Team members and to solicit comments and recommendations from meeting attendees for improvements; and (3) to improve coordination of research and validation activities both inter- and intra-nationally with respect to collection, validation, and application of ocean color data from the SeaWiFS mission. Presentations and recommendations are summarized.

Hooker, Stanford B.↗

NASA NTRS2024

Exploring Earth's Interface with Space: The Scientific Case for a Satellite Mission to the Lower Thermosphere-Ionosphere Transition Region

The ESA-NASA Lower Thermosphere-Ionosphere Science (ENLoTIS) Working Group was formed in May 2022 to cooperatively explore future lower thermosphere-ionosphere (LTI) satellite mission concepts, targeting very low altitudes (100-200 km) with in situ sampling of relevant geophysical parameters associated with the neutral atmosphere, the ionosphere’s plasma, electromagnetic fields, and energetic particles, which, together with modeling, would enable significant advancements in the understanding of neutral-ion interactions and other related science and space weather topics in this critical region of Geospace. The LTI region has been identified as one of considerable interest to both NASA and ESA. Most recently, the Daedalus mission study was carried out under the remit of ESA’s Earth Observation Programmes (EOP) Directorate competitive Earth Explorer 10 pre-feasibility (Phase 0) activities. Furthermore, many NASA studies have also focused on the LTI region, including both directed missions with dipping spacecraft, such as the initial TIMED dual-satellites and the GEC constellation, as well as numerous highly-rated Explorer proposals targeting the LTI. Although the Daedalus mission was not selected, the ESA Advisory Committee on Earth Observation (ACEO) ranked it highly on scientific grounds and encouraged further study activities to mature the concept, exploring potential international collaboration. Subsequent bilateral discussions with NASA’s Science Mission Directorate (SMD) noted that such a concept was in alignment with the 2020 SMD science plan – Science 2020-2024: A Vision for Scientific Excellence – along with other complimentary activities within the NASA Heliophysics Division. Building on NASA’s and ESA’s long history of very successful collaborations, this mutual interest in LTI science led to the establishment of a new inter-agency and cross-discipline science connection, linking the ESA EOP Climate Action, Sustainability and Science Department and the NASA Heliophysics Division. Initial exploratory discussions led to the formation of the ENLoTIS Working Group, which was directed to explore the science case behind a potential joint LTI mission. Members of the ENLoTIS Working Group are listed below, consisting of 7 scientists from ESA Member and Cooperating States and 7 scientists from the United States. The working group held 3 “in person” meetings over the course of 18 months, interspersed with regular virtual meetings on a more frequent basis. This report constitutes their chief findings and recommendations.

thermosphere↗

DOE OSTI2020

Metabolic Pathway Engineering

Modern microbial and enzyme engineering and their advancement are increasingly dependent on the marriage of a wide range of sophisticated technologies. For students entering the field of biotechnology, the outlook is indeed daunting. Expertise at levels beyond that of simple familiarity will be needed to conduct competitive research. It goes without saying that to be competitive, all new researchers in this field will need basic preparation in molecular biology, biochemistry, and genetics. Further, experience working with concepts and experimental tools in enzyme biochemistry and kinetics, gene editing, computational metabolic pathway modeling, experimental pathway flux analysis, and computational clustering tools to process complex data sets will be vital for success. We speculate that most biotechnology researchers in early career at this time will build teams of collaborators to address these disparate science fields rather than attempt to become experts in one lab.

BASIC BIOLOGICAL SCIENCES,BIOMASS FUELS↗

DOE OSTI2022

New challenges in oxygen reduction catalysis: a consortium retrospective to inform future research

In this perspective, we highlight results of a research consortium devoted to advancing understanding of oxygen reduction reaction (ORR) catalysis as a means to inform fuel cell science. We demonstrate how targeted collaborations between different institutions from academic, national lab, and industry backgrounds and different scientific disciplines like theory, experiment, and characterization can yield unique insights into fuel cell catalysts. We comment on such insights into material designs for platinum-group-metal alloys, transition metal oxides, and non-traditional materials including metal–organic frameworks; systems that have served as the foundational building blocks for our consortium. We also motivate a renewed focus on catalyst durability in light of emerging technological requirements and paths forward in understanding in situ and operando electrochemical stability. Lastly, we describe new frontiers ORR research can take and how emerging artificial intelligence tools can assist researchers in capturing data, selecting new experiments, and guiding characterization to accelerate the design and discovery of fuel cell catalysts. A main goal of sharing this perspective is to discuss the rationale for our future research plans based on our consortium work. However, we also hope to illustrate both the potential impact of a collaborative strategy with the hopes of inspiring a higher degree of Industry-Academia-National Laboratory collaboration and encourage other centers and consortiums to distill and share their findings in a similar perspective-type article. Together we hope to enable the fuel cell research community to engage in a discussion of strategies for research and accelerated development of catalysts with improved activity and stability.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Turbidity and suspended sediment data for Gwynns Falls, Baisman Run, and Pond Branch, Baltimore County and Baltimore City, MD, USA

This resource includes turbidity and suspended sediment data collected at two sampling stations located on Gwynns Falls in Baltimore County, MD, USA. In addition, two forested reference sites, Baisman Run and Pond Branch at Oregon Ridge, and two urban sites, Dead Run and Maiden's Choice Run (tributaries to Gwynns Falls), were sampled in Baltimore County and Baltimore City, MD, USA. Turbidity sensor data were collected at a 5-minute frequency using YSI EXO2 sondes. Suspended sediment was collected using ISCO samplers for the purpose of establishing correlations between turbidity and suspended sediment concentration. The six sites are co-located with USGS stream gages. This resource is part of the Baltimore Social-Environmental Collaborative Urban Integrated Field Laboratory supported by Department of Energy as well as the Critical Zone Collaborative Network supported by National Science Foundation. This resource includes a technical report summarizing the findings.

58 GEOSCIENCES↗

DOE OSTI2023

Using Kinetic Entropy to Understand Dissipation in Re-connection and Turbulence

This report summarizes results obtained at Space Science Institute (SSI) under a collaborative project funded by the NSF-DOE partnership in Basic Plasma Physics. The overall goal of the project was to perform a study of kinetic entropy as a diagnostic of dissipation in several archetypal models, such as magnetic reconnection and decaying plasma turbulence. The specific task of the SSI group was to perform collisionless and weakly collisional Particle-in-Cell (PIC) simulations modeling these systems. Overall, the project has demonstrated that, as expected, kinetic entropy carries an imprint of weakly collisional processes commonly thought to be associated with dissipation and thus provides an important diagnostic of dissipation. Specific entropy-related metrics have been proposed that could be used as quantitative measures of dissipation. These metrics have been implemented as diagnostics in PIC simulations and their utility, as well as relation to other, previously proposed, measures of dissipation have been demonstrated. Further, PIC simulations were used to investigate a general question of how energy is dissipated in magnetized weakly collisional turbulence in both non-relativistic and relativistic plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

Thermodynamic controls on the synthesis, structure and reactivity of materials for energy (Final Report)

The major objectives of this renewal proposal, now entitled “Thermodynamic Controls on the Synthesis, Structure and Reactivity of Materials for Energy,” are: (a) to advance and use unique calorimetric capabilities to determine the energetics of materials relevant to energy applications, with an emphasis on new materials, (b) to understand, in terms of both macroscopic energetics and microscopic structure and bonding, the interplay of defect chemistry, oxidation-reduction and size effects at the nanoscale in determining the properties of functional oxide materials and of new classes of non-oxide materials. Recent developments have generated great excitement in organic-inorganic hybrid materials such as the alkylammonium lead halide perovskites. Our current work has emphasized fluorite-based solid electrolytes, perovskites and lithium battery materials. The systematic trends seen enable a more holistic view of the relation of thermodynamics to materials discovery and synthesis. The proposed work more explicitly targets thermodynamic controls on metastability, energy landscapes, surface and nanoscale effects, and pathways of synthesis and decomposition. This project is leveraged by many U.S. and international collaborations that both extend the science and provide opportunities for work in a diverse global setting.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Waves of Electric Charge Generated by Pulse Corona of Alternating Polarity

The project contributes to DoE Office of Science program “Opportunities in Frontier Plasma Science” by providing plasma science experiments at the Princeton Collaborative Research Facility (PCRF) – the Princeton Plasma Physics Laboratory. The research consisted of - extensive experimental/simulation studies of a pulse corona discharge pattern and dynamics performed at the University of Notre Dame; - non-intrusive measurements of electric field distribution and dynamics performed at PCRF by the method employing Electric Field-Induced Second Harmonic Generation (EFISH); and - analysis of the data acquired.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2021

2021 ATR Strategic Plan

Collaborative development of nuclear energy science and technology by three major sectors—academia, the commercial nuclear power industry, and the federal government—is key to meeting the challenges of nuclear energy. All three share a common need for experimental capabilities, whether for basic science investigations, applied research in nuclear fuels and materials, or validation of data. The Advanced Test Reactor (ATR) provides the unique irradiation capabilities to support the need.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2025

Post-Irradiation Examination on MiniFuel UCO and UO 2 TRISO Particles Irradiated in HFIR at High Power

Post-irradiation examination (PIE) of MiniFuel compacts was conducted at Oak Ridge National Laboratory (ORNL) under the Nuclear Science User Facilities project in collaboration with Kairos Power (KP) to evaluate the performance of tristructural-isotropic (TRISO) particles under high particle power and fluoride-salt-cooled high-temperature reactor (FHR)-relevant conditions. MiniFuel compacts containing low-enriched uranium oxide-uranium carbide (LEUCO), low-enriched uranium dioxide (LEUO2), and natural UCO (NUCO) kernels were irradiated for four cycles at ORNL’s High Flux Isotope Reactor (HFIR) at target temperatures between 500°C and 900°C. Post irradiation, the experiment was disassembled at ORNL to recover the MiniFuel subcapsules, which were subsequently punctured to measure fission gas release. Subcapsule disassembly allowed the recovery of components of interest, such as silicon carbide (SiC) thermometry, fuel specimens, fission product sinks, and SiC spacers. The experimental irradiation temperature was confirmed by analyzing the SiC thermometry via dilatometry. PIE on the fuel specimens included gamma spectrometry and deconsolidation leach burn leach, which were complemented by imaging techniques such as x-ray computed tomography, optical microscopy, and electron microscopy. The PIE results provide insight into TRISO particle integrity, fission product retention, coating performance, and kernel migration, informing fuel qualification for application in KP’s FHR concept.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗