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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 307 records · Page 17

New Structural Biology Facilities at NSLS-II

The National Synchrotron Light Source II (NSLS-II), a Department of Energy (DOE) Office of Science User Facility located at Brookhaven National Laboratory offers an advanced suite of beamlines dedicated to structural biology research for investigating problems ranging from the atomic to the cellular scale. The beamlines are now available for general users, while adjacent wet and dry laboratories will become available soon. These beamlines offer X-ray diffraction, scattering, footprinting, spectroscopy, and imaging techniques that capitalize on NSLS-II's brightness.

43 PARTICLE ACCELERATORS↗

Leveraging ARM Data to Improve Models for Predictive Understanding of Energy and Security Challenges

Extreme weather and natural hazards can disrupt the energy sector, affecting demand, generation, transmission, distribution, consumption and operational planning at regional and national scales. These disruptions stem from a broad range of atmospheric phenomena, including winter storms, freezing rain, wet snow loading, severe convection, flooding and landslides, wildfires, prolonged heat, and drought. Many of these same phenomena can also affect national security through impacts to transportation and infrastructure. To support the U.S. Department of Energy (DOE) focus on energy resilience and national security, the Atmospheric Radiation Measurement (ARM) User Facility is uniquely positioned to contribute measurement data, analyses, and modeling frameworks that can significantly improve predictive understanding of these hazards to mitigate their effects. To explore this opportunity, ARM convened a two-part virtual workshop in November 2025. The workshop engaged interdisciplinary experts in atmospheric science, energy systems, modeling, and operations. The goal of the meeting was to engage with these interdisciplinary experts to address three questions: • What are examples of atmospheric processes that represent significant risks to energy security or national security and where are those risks greatest? • What measurements or measurement strategies would improve ARM’s capacity to address these issues? • How can ARM and users of the ARM facility better work with the Energy Exascale Earth System Model (E3SM) and multi-sector modeling communities to apply ARM data to improving E3SM simulations of these phenomena? Participants were asked to submit white papers ahead of the meeting to initiate thinking on these themes and to help organize discussions. Workshop sessions were then organized around themes identified in the white papers. First from the white papers and then through subsequent discussions, workshop participants identified many examples that address the three questions listed above. Participants called out energy system vulnerabilities to weather phenomena such as the impact of freezing rain, strong winds, and excessive heat on power grids. They also noted the effects that weather phenomena could have on energy demand or supply (e.g., through effects of extreme temperatures). They called out security vulnerabilities such as impacts to crops from aerosol-borne pathogens and risks to industry due to melting permafrost in the Arctic. In all, over a dozen meteorological phenomena were linked to energy or security vulnerabilities. For many of the identified phenomena, participants pointed out where ARM was well poised to address issues (e.g., through measurements of cloud microphysics to inform studies of freezing rain) but also noted needs for additional measurements or modified measurement strategies. For example, adaptive scanning of severe weather would be valuable for probing winter storms or severe convection. Participants pointed out the value in integrating external observations with ARM measurements and with applying artificial intelligence (AI) to ARM observation analysis and they advocated for using model simulations to help optimize measurement strategies through Observing System Simulation Experiments (OSSEs). It was clear from the workshop that there are many ways that ARM observations can be used to mitigate energy and security concerns, but meeting participants were also asked to identify what they considered to be the greatest opportunities by ranking issues pertaining to the three workshop questions. This was accomplished through a survey administered to participants between the two virtual sessions. The highest-priority phenomena identified were winter storms, severe convection, and arctic processes. Discussion in the second session, therefore, focused primarily on these three areas, which were most fully developed in exploring ARM opportunities. Nevertheless, it was also clear that ARM has opportunities to contribute to all the identified topics. This report describes the workshop, including input from discussion and white papers (Sections 2 and 3) and a list of priority recommendations (section 4). Many other ideas for ARM contributions are discussed in individual white papers (Appendix D).

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Neutron Damage Calculator [Poster]

The Nuclear Science Users Facilities (NSUF) currently has several experimental reactors participating in the program. These reactors allow users to complete material irradiation and studies of the effects of radiation on those materials. Completing the experiments is a long and costly process, beginning with applying for NSUF funding and support to placing materials in the reactor to post- irradiation examination . The goal of this project is to build a tool that NSUF users can use during the conceptual design phase of their experiment to select a reactor and reactor position which is the most fitting for their needed level of neutron damage. The tool has three main functions: 1) calculate displacements per atom (DPA) for multiple different materials, 2) calculate the time needed to reach the desired DPA, and 3) inform users what position in what reactor will give them the desired radiation damage the most effectively. This work is at the stage of finding displacement cross sections needed to calculate DPA. Future work will include finishing DPA calculations and modifying the current code to be used with other NSUF research reactors.

36 MATERIALS SCIENCE↗

Conical scan impact study. Volume 2: Small local user data processing facility

The impact of a conical scan versus a linear scan multispectral scanner (MSS) instrument on a small local-user data processing facility was studied. User data requirements were examined to determine the unique system rquirements for a low cost ground system (LCGS) compatible with the Earth Observatory Satellite (EOS) system. Candidate concepts were defined for the LCGS and preliminary designs were developed for selected concepts. The impact of a conical scan MSS versus a linear scan MSS was evaluated for the selected concepts. It was concluded that there are valid user requirements for the LCGS and, as a result of these requirements, the impact of the conical scanner is minimal, although some new hardware development for the LCGS is necessary to handle conical scan data.

Ebert, D. H.↗

Passive Temperature Sensors for Nuclear Applications

In April 2007, the Department of Energy (DOE) designated the Advanced Test Reactor (ATR) a National Scientific User Facility (NSUF) to advance US leadership in nuclear science and technology. By attracting new users from universities, laboratories, and industry, this program supports basic and applied nuclear research to help address the nation's energy security needs. In support of this program, the Idaho National Laboratory (INL) established in-house capabilities to develop, fabricate, test, and qualify new and enhanced temperature sensors for irradiation testing. This effort is continuing today through the DOE?s Advanced Sensors and Instrumentation (ASI) program. Although most efforts emphasize sensors capable of providing real-time data, selected tasks have been completed to enhance passive sensors for irradiations where instrumentation leads cannot be included. These sensors include silicon carbide (SiC) monitors, melt wires and the sublime temperature monitor. SiC monitors are available to detect peak irradiation temperatures between 200°C and 800°C in reactor locations where instrumentation leads cannot be used. SiC monitors may be evaluated using specialized equipment installed at INL?s Measurement Sciences Laboratory (MSL). A melt wire inventory is also maintained at MSL. This inventory contains wires for specific use in irradiation experiments ranging in temperatures from 30°C to 1500°C. Melt wires and SiC monitors have had decades of research and application. Recent research has produced a passive monitor known as the sublime temperature monitor. This passive sensor has the capability of recording temperature gradients. This paper will discuss passive temperature sensors currently being researched and implemented under the ASI program.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Heterolysis of H 2 Across a Classical Lewis Pair, 2,6-Lutidine∙BCl3: Synthesis, Characterization, and Mechanism

In this study, we report that 2,6-lutidine∙trichloroborane (Lut∙BCl 3 ) reacts with H 2 in toluene, bromobenzene, dichloromethane, and Lut solvents producing the neutral hydride, Lut∙BHCl 2 . The mechanism was modeled with density functional theory, and energies of stationary states were calculated at the G3(MP2)B3 level of theory. Lut∙BCl 3 was calculated to react with H 2 and form the ion pair, [LutH + ][HBCl 3 – ], with a barrier of ΔH ≠ =24.7 kcal mol –1 (ΔG ≠ =29.8 kcal mol –1 ). Metathesis with a second molecule of Lut∙BCl 3 produced Lut∙BHCl 2 and [LutH + ][BCl 4 – ]. The overall reaction is exothermic by 6.0 kcal mol –1 (Δ r G°=–1.1). Alternate pathways were explored involving the borenium cation (LutBCl 2 + ) and the four-membered boracycle [(CH 2 {NC 5 H 3 Me})BCl 2 ]. Barriers for addition of H 2 across the Lut/LutBCl 2 + pair and the boracycle B—C bond are substantially higher (ΔG ≠ =42.1 and 49.4 kcal mol –1 , respectively), such that these pathways are excluded. The barrier for addition of H 2 to the boracycle B—N bond is comparable (ΔH ≠ =28.5 and ΔG ≠ =32 kcal mol –1 ). Conversion of the intermediate 2-(BHCl 2 CH 2 )-6-Me(C 5 H 3 NH) to Lut∙BHCl 2 may occur by intermolecular steps involving proton/hydride transfers to Lut/BCl 3 . Intramolecular protodeboronation, which could form Lut∙BHCl 2 directly, is prohibited by a high barrier (ΔH ≠ =52, ΔG ≠ =51 kcal mol –1 ).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Dehydration pathways of 1-propanol on HZSM-5 in the presence and absence of water

The Brønsted acid-catalyzed gas-phase dehydration of 1-propanol (0.075-4 kPa) was studied on zeolite H-MFI (Si/Al = 26, containing minimal amounts of extraframework Al moieties) in the absence and presence of co-fed water (0-2.5 kPa) at 413-443 K. It is shown that propene can be formed from monomeric and dimeric adsorbed 1-propanol. The stronger adsorption of 1-propanol relative to water indicates that the reduced dehydration rates in the presence of water are not a consequence of the competitive adsorption between 1-propanol and water. Instead, the deleterious effect is related to the different extents of stabilization of adsorbed intermediates and the relevant elimination/substitution transition states by water. Water stabilizes the adsorbed 1-propanol monomer significantly more than the elimination transition state, leading to a higher activation barrier and a greater entropy gain for the rate-limiting step, which eventually leads to propene. In a similar manner, an excess of 1-propanol stabilizes the adsorbed state of 1-propanol more than the elimination transition state. In comparison with the monomer-mediated pathway, adsorbed dimer and the relevant transition states for propene and ether formation are similarly, while less effectively, stabilized by intrazeolite water molecules. This work was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences, and was performed in part using the Molecular Sciences Computing Facility (MSCF) in the William R. Wiley Environmental Molecular Sciences Laboratory, a DOE national scientific user facility sponsored by the DOE’s Office of Biological and Environmental Research and located and the Pacific Northwest National Laboratory (PNNL). PNNL is operated by Battelle for DOE.

1-propanol↗

ARM FY2023 Radar Plan

The fundamental objective of the U.S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) user facility’s radar capability is to provide high-quality radar observations to the scientific user community with an overarching goal of improving the treatment of clouds and precipitation in climate models. ARM has a complement of 32 radars, including scanning and zenith-pointing varieties (Table 1). The effort to maintain and operate these radars is significant and requires a large, distributed staffing commitment. It has not been feasible to ensure the continuous, high-level operations expected by the ARM user community for all radars at all times, so priorities are established to routinely manage select radar operations every fiscal year. These priorities for FY23 are listed herein.

54 ENVIRONMENTAL SCIENCES↗

Recent Radioactive Material Package Testing Experiences at Oak Ridge National Laboratory

Oak Ridge National Laboratory (ORNL) was a pioneer in the testing of radioactive material shipping packages and has been performing such tests for over 50 years. Currently, except for Type B thermal tests, testing is performed at the purpose-built Packaging Research Facility that is located at the National Transportation Research Center - a U.S. Department of Energy User Facility. Packages used for the transportation of Type B quantities of radioactive materials must be capable of meeting normal conditions of transportation (NCT) requirements and hypothetical accident conditions (HAC) requirements as defined in Title 10 Code of Federal Regulations (CFR) Part 71. Evaluation of package designs to these criteria typically involves a combination of analysis and physical testing. Required physical tests include free drop, crush, puncture, penetration, compression, vibration, water spray, water immersion, and thermal. The Oak Ridge National Laboratory (ORNL) Packaging Evaluation Facility (PEF) at the National Transportation Research Center (NTRC) provides an inclusive testing capability for a wide variety of packages needed for shipment of radioactive materials. Since PATRAM 2019, ORNL has performed several sets of tests including testing of two designs of the Defense Program Package (DPP-3 and DPP-1) and several Special Form Capsules. This paper provides an overview of the testing performed as well as a summary of advancements made to the ORNL package testing program during that time.

Martinez, Oscar↗

US Department of Energy, Office of Science, High-Performance Computing Facility 2024 Operational Assessment Oak Ridge Leadership Computing Facility

The Oak Ridge Leadership Computing Facility (OLCF) was established to accelerate scientific discovery by providing world-leading computational performance and advanced data infrastructure to the US Department of Energy (DOE) computing community. As a DOE Office of Science user facility, the OLCF has managed the successful deployment and operation of a succession of leadership-class resources dedicated to open science. In addition to these resources, the OLCF staff continually strive to develop innovative processes and technologies, improve security, and empower users through effective allocation management and comprehensive user support and training. These efforts support the advancement of science by the OLCF users and benefit high-performance computing (HPC) facilities around the world.

97 MATHEMATICS AND COMPUTING↗

Committee ARM User Executive Committee Meeting Summary March 30-31, 2016

This meeting was held at the National Center for Atmospheric Research (NCAR) Mesa Lab, Boulder, Colorado. Atmospheric Radiation Measurement (ARM) Climate Research Facility User Executive Committee (UEC) members present were: Chuck Long, Ernie Lewis, Larry Berg, Hailong Wang, Matt Shupe, Andrew Gettelman, and Dave Turner. Rob Wood joined the discussion at several points via conference call, as he was unable to attend in person. Gannet Hallar and Pavlos Kollias were unable to attend. ARM Infrastructure members present were: Jim Mather, Jennifer Comstock, Jimmy Voyles, Ken Kehoe, Doug Sisterson, Hanna Goss, and Giri Prakash. The ARM UEC met face to face for the first time since the committee was formed in December, 2014 at the NCAR Mesa Lab in Boulder. Prior to this point, all UEC meetings were done via telephone, usually with the aid of collaboration software (e.g., Lync, GoToMeeting) allowing the entire committee to see a common presentation. These conference calls covered a wide range of topics, many of them on a recurrent basis; however, since the calls were limited to less than 90 minutes it was felt that a more dedicated meeting would allow us to delve more deeply into some of these topics. Three topics for this meeting came from previous conference call discussions: (1) data quality, (2) uncertainty quantification, and (3) improved communications. Two other topics were discussed during this meeting: (4) an overview of the LES (large-eddy simulation) ARM Symbiotic Simulation and Observation (LASSO) project and (5) the process for electing new UEC members. Summaries of each of these topics are provided below, along with recommendations that the UEC feels should be considered by the ARM Facility (which will be highlighted using italics).

54 ENVIRONMENTAL SCIENCES↗

NSTX-U National Research Program: White Paper in Response to Call from FESAC Sub-Committee

Both scientific and technical innovation is needed for the realization of an attractive engineering solution for a timely and cost-effective Pilot Plant, the design and construction of which is the overarching recommendation of the FESAC Long Range Plan, and the 2021 NASEM Pilot Plant reports, which underpin the Bold Decadal Vision. The two most significant plasma physics gaps to close for a Compact Pilot Plant (CPP) are core confinement improvement and heat flux mitigation, neither of which have been closed in an integrated fashion for any planned fusion power production device. High core confinement and stability are essential for producing majority self-driven plasmas in CPPs with reduced size and auxiliary heating power requirements, with an improvement in confinement being the major driver for cost reduction of a CPP. The National Spherical Tokamak Experiment - Upgrade (NSTX-U) is a unique low aspect ratio research facility that will address the fundamental challenge of developing the science and technology basis for a CPP design that integrates high core and edge confinement with the ability to mitigate very high incident heat fluxes. NSTX-U capabilities will enable the high performance, already achieved on NSTX, to extend into physics regimes much closer to those anticipated in Spherical Tokamak (ST)-based CPPs. These confinement and stability properties will be assessed by a full complement of diagnostics and analysis tools, which will also aid in the development of the underlying theory and predictive models needed for further optimization. Both conventional and transformative heat flux mitigation methods, such as liquid lithium plasma-facing components, will be developed and tested in-situ in NSTX-U at incident heat fluxes of ~100 MW/m 2 , and will inform plans and reduce risk for a subsequent major upgrade to the device to fully heated, high-Z wall and full liquid lithium divertor capability, a technology that potentially could then be implemented on any magnetic confinement device at any aspect ratio. NSTX-U research is fully complementary to programs performed on other STs, nationally and internationally. Furthermore, NSTX-U research has a direct connection to the private sector by informing design choices for future power production facilities being developed by these companies. The NSTX-U program will operate as a national User Facility, with collaborating researchers, engineers, and graduate students from 19 outside institutions, and open to participation and experiments led by researchers from both public and private entities. The research program will advance workforce development through training of young scientists, engineers, and technicians, and it will also serve for further diagnostic innovation, especially for high heat flux and high-Z wall environments, and implementation of advanced artificial intelligence (AI) for plasma and heat flux control.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

12th World Conference on Neutron Radiography Program

This program is for the 12th Annual World Neutron Conference hosted by INL, held in Idaho Falls. Included is the conference schedule, abstracts from presenters, outings, a tour of EBR-1, and facilities at MFC including: TREAT, HFEF, and IMCL. INL researcher abstracts are found on the following pgs: 26, 42, 52, 103, 119, 169, 170, 173, and 182. The 12th World Conference on Neutron Radiography (WCNR-12) is an international forum that brings together researchers, engineers, industry practitioners and university students to promote, discuss and disseminate a wide range of topics in neutron imaging. This weeklong conference focuses on the latest methods, instrumentation and facilities, improvements in data processing and interpretation, and new applications of neutron imaging. Ever-improving neutron imaging instruments and new methods push the frontiers of science and address industrial needs. Many user facilities at large research centers with powerful neutron imaging beamlines address the research needs of an increasingly diverse range of applications. Recent developments in accelerator-based sources could expand the user base for neutron imaging by making compact neutron sources available at facilities beyond large neutron sources at major research centers. Industrial practitioners continue to use neutron imaging for practical industrial applications following industry standards. The World Conference on Neutron Radiography series is organized by the International Society for Neutron Radiography (ISNR) to promote the field of neutron imaging and foster interaction and communication between experts and users in the field (see isnr.de). WCNR-12 continues a series of meetings initiated and started in San Diego, California, in December 1981. In intervals of about four years, the conference moved between the United States, Japan and Europe until the most recent one (WCNR-11) in Sydney, Australia, in 2018 (see previous ISNR proceedings here: https://www.isnr.de/index.php/conferences.)

99 - GENERAL AND MISCELLANEOUS↗

PERLE - Lattice Design and Beam Dynamics Studies

PERLE (Powerful ERL for Experiments) is a novel ERL test facility, initially proposed to validate choices for a 60 GeV ERL foreseen in the design of the LHeC and the FCC-eh. Its main thrust is to probe high current, CW, multi-pass operation with superconducting cavities at 802 MHz (and perhaps testing other frequencies of interest). With very high virtual beam power (~ 10 MW), PERLE offers an opportunity for controllable study of every beam dynamic effect of interest in the next generation of ERL design; becoming a ‘stepping stone' between present state-of-art 1 MW ERLs and future 100 MW scale applications. PERLE design features Flexible Momentum Compaction lattice architecture for six vertically stacked return arcs and a high-current, 6 MeV, photo-injector. With only one pair of 4 cavity cryomodules, 400 MeV beam energy can be reached in 3 re-circulation passes, with beam currents in excess of 15 mA. The beam is decelerated in 3 consecutive passes back to the injection energy, transferring virtually stored energy back to the RF. This unique facility will serve as a test-bed for high current ERL technologies, as well as a user facility in low energy electron and photon physics.

Bogacz, Alex↗

Nanophotonics and Optical Nanomaterials

The goal of the Center for Integrated Nanotechnologies (CINT) is to plays a leadership role in integration of nanostructured materials to enable novel capabilities and applications through its function as a Department of Energy/Office of Science Nanoscale Science Research Center (NSRC) national user facility. By coupling open access to unique and world-class capabilities and scientific expertise to an active user community, CINT supports high-impact research that no other single institution could achieve – the whole of CINT including its user community is greater than the sum of its parts.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Soft Biological and Composite Nanomaterials

The goal of the Center for Integrated Nanotechnologies (CINT) is to plays a leadership role in integration of nanostructured materials to enable novel capabilities and applications through its function as a Department of Energy/Office of Science Nanoscale Science Research Center (NSRC) national user facility. By coupling open access to unique and world-class capabilities and scientific expertise to an active user community, CINT supports high-impact research that no other single institution could achieve – the whole of CINT including its user community is greater than the sum of its parts.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Los Alamos Neutron Science Center

For more than 30 years the Los Alamos Neutron Science Center (LANSCE) has provided the scientific underpinnings in nuclear physics and material science needed to ensure the safety and surety of the nuclear stockpile into the future. In addition to national security research, the LANSCE User Facility has a vibrant research program in fundamental science, providing the scientific community with intense sources of neutrons and protons to perform experiments supporting civilian research and the production of medical and research isotopes. Five major experimental facilities operate simultaneously. These facilities contribute to the stockpile stewardship program, produce radionuclides for medical testing, and provide a venue for industrial users to irradiate and test electronics. In addition, they perform fundamental research in nuclear physics, nuclear astrophysics, materials science, and many other areas. The LANSCE User Program plays a key role in training the next generation of top scientists and in attracting the best graduate students, postdoctoral researchers, and early-career scientists. The U.S. Department of Energy (DOE), National Nuclear Security Administration (NNSA) —the principal sponsor of LANSCE—works with the Office of Science and the Office of Nuclear Energy, which have synergistic long-term needs for the linear accelerator and the neutron science that is the heart of LANSCE.

99 GENERAL AND MISCELLANEOUS↗