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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 451 records · Page 25

Hyperfusogenic Mutations Destabilize the Postfusion Six-Helix Bundle of the Measles Virus Fusion Glycoprotein

Fusion of the host membrane and viral envelope by class I viral fusion proteins is driven by the assembly of a postfusion six-helix bundle formed through antiparallel interactions between N-terminal (HR1) and C-terminal (HR2) heptad-repeat regions. Although mutations in these regions of the measles virus (MeV) fusion (F) glycoprotein are known to promote neuropathogenic and hyperfusogenic phenotypes, their effects on postfusion core stability have not been systematically examined. Here, we combine peptide biophysics and X-ray crystallography to interrogate how mutations within the HR2 domain, present in native neuropathogenic MeV isolates (e.g., L454W and N462K) and laboratory-generated hyperfusogenic variants (e.g., L454M and T461A), influence postfusion 6HB assembly. Circular dichroism (CD) spectroscopy reveals that, with few exceptions, these mutations decrease postfusion core stability, despite their association with enhanced fusion activity. We also report the first crystal structure of the wild-type MeV postfusion core as well as structures of six hyperfusogenic variants, enabling high-resolution comparison of the molecular basis of destabilization. Structural analysis shows that these effects arise from localized perturbations to steric packing, hydrogen bonding networks, and helix-stabilizing interactions within HR2, while the overall 6HB architecture remains conserved. Together, these results indicate that hyperfusogenic mutations are not associated with stabilization of the postfusion state and are instead consistent with models in which hyperfusogenicity arises from a reduction in the energetic barrier to fusion, potentially through effects on prefusion stability or triggering efficiency. These findings establish key sequence-structure–stability relationships governing coiled-coil assembly and provide a framework for the design of HR1- and HR2-based fusion inhibitors.

Genetics↗

Interaction of magnetic fields with spinons in a fractionalized state

The 4d-electron trimer lattice Ba₄Nb₁₋ₓRu₃₊ₓO₁₂ exhibits either a quantum spin liquid (QSL) or a heavy-fermion strange metal (HFSM) phase, depending on Nb content. In the QSL state, itinerant spinons act as effective heat carriers, enhancing thermal conductivity. Strikingly, applying a magnetic field up to 14 T causes an abrupt, up-to-5000% increase in heat capacity below 150 mK, disrupting the linear temperature dependence typical of both phases. Meanwhile, AC susceptibility and electrical resistivity remain nearly unchanged, while thermal conductivity drops by up to 40% below 4 K. These results suggest spinons, despite being charge-neutral, are highly sensitive to magnetic fields at low temperatures. We propose that the magnetic field could induce Anderson localization of spinons, creating emergent non-magnetic two-level systems responsible for the Schottky-like anomaly in heat capacity. These findings point to a previously unexplored regime of spinon dynamics, potentially governed by field-induced localization and distinct from conventional magnetic or transport signatures.

Condensed-matter physics↗

Geologic hydrogen: From natural occurrences to anthropogenic generation – A review of fundamentals, potential, challenges and prospects

Growing demand for hydrogen is exposing the environmental and economic limits of reforming-based and carbon-managed supply chains, while the scale-up of electrolytic capacity remains capital-constrained. Geologic hydrogen, defined as molecular H₂ generated and stored within the Earth's crust offers a complementary, potentially lower-cost resource, yet exploration is still ad hoc. This review (1) revisits a global inventory of confirmed hydrogen seeps and subsurface occurrences; (2) analyzes the controlling reactions, migration pathways, and trapping conditions governing these occurrences; (3) proposes a process-based geologic hydrogen system concept analogous to, yet distinct from, the petroleum system; and (4) evaluates potential geologic hydrogen systems within the United States as a representative case study. Here, we contrast natural systems powered by serpentinization, mantle degassing or radiolysis with anthropogenic systems that stimulate the same reactions or convert in-situ hydrocarbons. Stable hydrogen accumulations require generation rates that outpace combined physical, chemical and microbial losses; the Bourakébougou field (Mali) exemplifies a self-recharging, free-gas reservoir sustained by meteoric-water serpentinization beneath an efficient caprock. Prospective geologic hydrogen resources are likely to occur in regions where iron-rich lithologies, deep-seated faults, and low-permeability sealing formations coexist. Applying this principle, we highlight three promising hydrogen play types in U.S. geological terrains: ophiolite belts (Appalachian and Californian regions), the Midcontinent Rift and the Lake Superior banded‑iron formations. Multiphysics numerical models and positive-unlabeled machine-learning workflows help to accelerate play screening and de-risk future production; yet, reaction kinetics, stimulation strategies, and full techno-economic and life-cycle assessments remain pivotal knowledge gaps.

Anthropogenic hydrogen generation↗

Tungsten erosion during L-mode discharges in the DIII-D SAS-VW divertor

A series of L-mode plasma discharges was performed in the DIII-D tokamak to assess the impact of outer strike point (OSP) position and toroidal magnetic field direction on erosion and core contamination potential of the recently-installed, tungsten-coated Small Angle Slot (SAS-VW) divertor. In one discharge, in-slot emission spectroscopy measured an<48 % increase in the W gross erosion rate when the OSP was moved 3 cm outwards, away from the V-shaped vertex of the slot divertor. However, the effective W yield (erosion rate divided by the incident D flux) was, overall, insensitive to changes in OSP location. Consistently low estimates of the effective W yield based on measurements taken a few cm outwards from the vertex suggest potentially significant C surface contamination. No W emission signal was detected when orienting the toroidal magnetic field such that the ion B×∇B drift direction is pointed away from the X-point. However, measurements of W content in the plasma core for both toroidal magnetic field directions suggest the presence of additional, unmeasured sources of erosion. The difference in the measured core W density with OSP position is much greater than the difference in the measured erosion rates, which may suggest that the leakage of eroded impurities out of the divertor is governed primarily through the parallel ion temperature gradient and friction forces.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Proton Exchange Membrane (PEM) Water Electrolysis: Cell-Level Considerations for Gigawatt-Scale Deployment

Hydrogen produced with no greenhouse gas emissions is termed “green hydrogen” and will be essential to reaching decarbonization targets set forth by nearly every country as per the Paris Agreement. Proton exchange membrane water electrolyzers (PEMWEs) are expected to contribute substantially to the green hydrogen market. However, PEMWE market penetration is insignificant, accounting for less than a gigawatt of global capacity. Achieving substantive decarbonization via green hydrogen will require PEMWEs to reach capacities of hundreds of gigawatts by 2030. This paper serves as an overarching roadmap for cell-level improvements necessary for gigawatt-scale PEMWE deployment, with insights from three well-established hydrogen technology companies included. Analyses will be presented for economies of scale, renewable energy prices, government policies, accelerated stress tests, and component-specific improvements.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The Effects of Shockwave Pressures on Ultrafast Vibrational Energy Transfer in BNFF, a Hydrogen-Free Energetic Material

Energy conversion in energetic materials from shock-wave-induced lattice compression to bond breaking critically depends on vibrational coupling and energy transfer between intra- and intermolecular vibrations, though the details of the mechanisms remain unknown. Herein, we indirectly tune the strength of intermolecular interactions in 3,4-bis(3-nitrofurazan-4-yl)furoxan (BNFF), a hydrogen-free energetic material characterized by van der Waals interactions, by applying high static pressure using a diamond anvil cell and monitoring vibrational energy transfer (VET) with ultrafast broadband infrared pump–probe spectroscopy. As BNFF is compressed from ambient pressure to 9 GPa, we find that VET accelerates by ∼ 0.9 ps/GPa. Density functional theory is applied in tandem with experiments to assign mode character and elucidate VET pathways. In conclusion, we find that furazan ring O–N–O vibrations, which are high-frequency detonation-relevant vibrational modes, experience increased sensitivity to lattice compression under shockwave pressures. These findings provide new mechanistic insight into how intermolecular interactions govern the rate and selectivity of VET.

Energy transfer↗

Nanoscale Magnetic Ordering Dynamics in a High Curie Temperature Ferromagnet

Thermally driven transitions between ferromagnetic and paramagnetic phases are characterized by critical behavior with divergent susceptibilities, long-range correlations, and spin dynamics that can span kHz to GHz scales as the material approaches the critical temperature T c , but it has proven technically challenging to probe the relevant length and time scales with most conventional measurement techniques. In this study, we employ scanning nitrogen-vacancy center based magnetometry and relaxometry to reveal the critical behavior of a high-T c ferromagnetic oxide near its Curie temperature. Cluster analysis of the measured temperature-dependent nanoscale magnetic textures points to a 3D universality class with a correlation length that diverges near T c . Meanwhile, the temperature-dependent spin dynamics, measured through all optical relaxometry suggest that the phase transition is in the XY universality class. In conclusion, our results capture both static and dynamic aspects of critical behavior, providing insights into universal properties that govern phase transitions in magnetic materials.

36 MATERIALS SCIENCE↗

Origin of large variations of current on/off ratio and switching voltage in atomically thin memristors: an exascale ab initio transport study

Nonvolatile resistive switching in two-dimensional monolayers opens a new avenue for high-density memory/computing devices. However, questions remain as to why the current on/off ratio and switching voltage vary significantly among different devices. Here, we simulate electronic transport of large systems consisting of a h-BN monolayer sandwiched by gold electrodes, enabled by an implementation of the nonequilibrium Green’s function method in the exascale density functional theory (DFT) code: Real-space MultiGrid. Systematic calculations reveal that the wide range of on/off ratios is due to variations in interface distances between the electrode and h-BN that significantly modulate their wavefunction overlap. In addition, DFT calculations demonstrate that the energy barrier of a gold atom dissociating from the electrode to h-BN increases dramatically with the interface distance, thereby explaining the strong dependence of the switching voltage on distance. Our work demonstrates the significance of interface distance in governing the current on/off ratio and switching voltage.

Electronic devices↗

Mott vs Kondo: Influence of various density functional based methods on the Ce isostructural phase transition mechanism

The cerium iso-structural phase transition (γ–α) is dominated by f-electron localization changes that results in a magnetic ordering change and a volume collapse. Generally, these physics are difficult to capture with ab initio and first principles methods. However, previous works have shown various methods to be successful in predicting at least some of the physics of the γ to α phase transition. Therefore, here, we perform a broad survey of density functional based methods across three levels of theory and types of functions [GGA (generalized gradient approximation), MetaGGA, and hybrid functionals] and compare the results, focusing on hydrostatic compression across the phase boundary at zero kelvin. For the methods that best reproduce experimental results, we directly probe the predicted mechanisms and frame the results in the Mott/Kondo debate, assessing how the underlying methods and assumptions of different functionals can assess the physical drivers in the phase transition, providing insight into the governing processes of this unique phase transition.

36 MATERIALS SCIENCE↗

Entire four-graviton EFT from the duality between color and kinematics

The Bern-Carrasco-Johansson (BCJ) double-copy construction reveals a fundamental structural connection between gauge and gravity theories. At its core, the BCJ double copy is directly due to a duality between the algebraic relations of a color root and those of a kinematic root. We generalize this principle beyond the conventional Lie algebra structure of tree-level Yang-Mills theory. By demanding color-kinematics duality for the complete basis of four-point color structures—including those involving the symmetric 𝑑 𝑎⁢𝑏⁢𝑐 constants—we define the universal double copy. We systematically classify the bases of all such parity-even generalized gauge-theory numerators and, independently, the space of all parity-even four-graviton higher-derivative operators. We demonstrate that our universal double-copy construction precisely spans the entire tower of parity-even four-graviton amplitudes in any dimension, except for the Lovelock 𝑅 3 contribution in 𝐷 > 6 which we can express in terms of a particularly simple universal triple-copy involving gauge theories coupled to scalars. Explicit machine-readable expressions for the complete basis of gauge-theory numerators and fundamental gravitational building blocks are provided in the Supplemental Material. This establishes that all possible four-point gravitational interactions can be factorized into products of gauge-theory building blocks governed by this universal notion of color-kinematics duality.

Carrasco, John Joseph M. [Northwestern Univ., Evan↗

Resident Tolerance to Transitional Temperature Deviation in Smart Communities

Choosing the right HVAC system or the right algorithm of implementing demand response may create significant energy and environmental gains while maintaining resident comfort. But these questions are closely related to the concept of user comfort, which in turn requires a reasonable fit between user preferences and temperature setpoints. While setting the temperature right is a well-researched question, systems in transition from one setpoint to another are currently not thoroughly addressed in research. But how tolerant the residents really are if a system spends a large share of time outside of the comfort setpoint. This study gives some early insights on how the deviation of temperature from the setpoint affect perceived resident comfort. We use two weeks of data for a smart neighborhood located in Atlanta, GA. We find that the system spends 20% - 50% of time deviating from the setpoint by more than 1℉. However, we do not find that increasing deviations cause resident complaints or increasing overrides.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Sensitive Resources Assessment and Forest Analysis for the Proposed Versatile Test Reactor, Oak Ridge, Tennessee

The US Department of Energy’s (DOE’s) Oak Ridge National Laboratory (ORNL) is a leading institution in advanced materials, supercomputing, neutrons, and nuclear science. As a research laboratory managed by UT-Battelle, LLC for DOE, ORNL has national priorities in energy, security, and scientific discovery that necessitate facility improvements and expansions. DOE is also committed to environmental stewardship. The laboratory is located on the ~32,000-acre (~13,000-ha) Oak Ridge Reservation (ORR), much of which is categorized as a National Environmental Research Park (NERP) and a state Wildlife Management Area. DOE works with the Tennessee Wildlife Resources Agency (TWRA), Tennessee Department of Environment and Conservation (TDEC), US Fish and Wildlife Service (USFWS), US Department of Agriculture, and other agencies to serve as an effective steward of the ORR. Accordingly, project managers must conform to environmental regulations, agreements, and policies at the federal, state, and institutional levels. Per 40 CFR (Code of Federal Regulations) 1508.14, potential effects on research and science education also represent potential effects of federal actions on the NERP, and impacts on, e.g., deer harvest, must be considered on the Oak Ridge Wildlife Management Area when other aspects of the human environment are affected. The United States currently has no fast neutron testing capability to support advanced nuclear research and development. The proposed Versatile Test Reactor (VTR) will take advantage of current investments by the US government and private industry in nuclear reactors to expedite the design and construction process, using proven technology to create a world-class scientific infrastructure. The VTR will take advantage of fast neutrons provided by this proven technology, along with a capability to rapidly insert, conduct, and remove state-of-the-art experiments. An advantage of the VTR is that it can support future innovations in experimental capabilities without modifying the facility. The VTR will support progress in a variety of science and technology areas, including testing and qualification of advanced reactor fuels; testing and qualification of innovative structural materials; testing of innovative components and instruments; validation of advanced modeling and simulation tools; and versatility for future technical missions. Through proven technology, the VTR can take advantage of existing reactor designs and operating experience to reduce the risk, cost, and time for design and construction. The top available resources of DOE laboratories, industry, and universities will be used to expedite reactor design and construction toward developing the scientific infrastructure that affords a strong testing capability that can be sustained over many years. This report summarizes current knowledge of natural and cultural resources primarily within the VTR construction area. At the time of this report, the proposed VTR site design includes a construction area of ~150.4 acres (~69.9 ha), which contains an ~51.3-acre (~20.8-ha) operations area, located within forested natural areas of the ORR. The primary goal of the work presented here was to evaluate potential effects on sensitive resources that might result from development and construction activities associated with VTR. In addition to on-the-ground surveys during spring and summer 2020 by the ORNL Natural Resources Management Program and Aquatic Ecology Group staff, this report makes use of historical (pre-1995) and contemporary (1995 to present) data from additional confirmed sources (e.g., TDEC). Likewise, forest conditions were compiled from a 2011 forest inventory and supplemented with limited ground observations in 2020. The individuals who obtained and compiled the data presented here are familiar with and routinely assess sensitive resources on the ORR. Anyone who references this report must consider that the timing of surveys did not permit a complete delineation of the resources that will be affected. If the VTR project proceeds, additional surveys will be required to account for the seasonal patterns of various threatened and endangered species. Data deficiencies and potential resources that likely went undetected are indicated where possible. Accordingly, this report should facilitate more environmentally sound decisions during planning and 2 development of the VTR site, provide a foundation for further assessment of sensitive and cultural resources, and help project managers better address regulatory guidance and DOE policies on sustainable development in compliance with, for example, the US Endangered Species Act (ESA), Migratory Bird Treaty Act (MBTA), Tennessee Rare Plant Protection and Conservation Act of 1985, Tennessee Nongame and Endangered or Threatened Wildlife Species Conservation Act of 1974, several federal and state regulations regarding aquatic resource protection, and site-specific policies as outlined in various ORR management plans developed by ORNL and TWRA for DOE.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Controlled Reaction Dynamics of Binary Hexafluorides to Explore New Chemical Signatures

Uranium hexafluoride (UF6 ) is a key compound in the nuclear fuel cycle. • Many enrichment technologies utilize UF6 due to its advantageous properties: • Fluorine (F) has only one isotope of major abundance. • UF6 is a solid at room temperature but has a high (~70 torr) vapor pressure. • There is significant knowledge regarding the chemical processing of UF6 . • UF6 readily hydrolyzes when released to the atmosphere. • Despite significant advances in UF6 processing, the fundamental chemistry governing reaction with UF6 is still poorly understood.

Dorris, Austin L. [Savannah River National Laborat↗

Architecture options for the Manned Transportation Systems Study

The Manned Transpiration System (MTS) Study was undertaken to develop key data relative to the United States manned transportation system, and specifically, the next manned system we build. These data are being developed in the context of Earth-to-orbit architectures necessary to deliver all government payloads to low Earth orbit (LEO). Launch systems, transition between current and new systems, along with system functions (personnel and/or cargo to/from orbit) are presented. Several key considerations being debated today were used to aid our selection of Earth-to-orbit (ETO) architectures for evaluation. Other consideration s not being addressed in this initial effort that require additional study are identified Twenty-five launch systems were used to define a set of 18 architectures. These architectures are discussed in context with they key considerations being addressed in this study. Payload manufacturing ground rules are presented to provide an understanding of our approach in establishing flight rates from the MTS mission models. Furthermore, a discussion of manned system flight rates and relative personnel safety characteristics differences is presented. Comparative architecture results will not be available until May 1992.

M T Gaunce↗

Enhancing Systems Engineering Education Through Case Study Writing

Developing and refining methods for teaching systems engineering is part of Systems Engineering grand challenges and agenda for research in the SE research community. Retention of systems engineering knowledge is a growing concern in the United States as the baby boom generation continues to retire and the faster pace of technology development does not allow for younger generations to gain experiential knowledge through years of practice. Government agencies, including the National Aeronautics and Space Administration (NASA), develop their own curricula and SE leadership development programs to "grow their own" systems engineers. Marshall Space Flight Center (MSFC) conducts its own Center-focused Marshall Systems Engineering Leadership Development Program (MSELDP), a competitive program consisting of coursework, a guest lecture series, and a rotational assignment into an unfamiliar organization engaged in systems engineering. Independently, MSFC developed two courses to address knowledge retention and sharing concerns: Real World Marshall Mission Success course and its Case Study Writers Workshop and Writers Experience. Teaching case study writing and leading students through a hands-on experience at writing a case study on an SE topic can enhance SE training and has the potential to accelerate the transfer of experiential knowledge. This paper is an overview of the pilot experiences with teaching case study writing, its application in case study-based learning, and identifies potential areas of research and application for case study writing in systems engineering education.

Stevens, Jennifer Stenger↗

Rare Earth Production in the United States: A Concise Review of Resource Development and Commercial Processes

This review article presents a concise review of estimated resources, processing methods and challenges involved in domestic rare earth mining projects in the United States (US). It also highlights the current status of major mining projects, anticipated rare earth production in the near future, and commercial projects utilizing non-traditional feedstocks for rare earth production and recycling. Based on the current industry outlook, opportunities for R&D have also been highlighted. Perspective on domestic rare earth production capability is essential because global rare earth production is currently dominated by China. Given potential export controls by China, this imbalance has created supply chain risk. The US and other countries have limited rare earth production capacity and relatively little expertise in rare earth processing. However, in the last decade, efforts have been made by several nations, including the US, to reduce their reliance on China for rare earth and other critical minerals. The US is currently investing in projects to develop domestic rare earth separation and refining capacity. These projects are discussed here. When backed by R&D and government support, these projects have potential to make significant progress towards establishment of domestic rare earth separation capabilities.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Transport jet aircraft noise abatement in foreign countries: Growth, structure, impact. Volume 1: Europe, July 1980

The development and implementation of aircraft noise control regulations in various European states are described. The countries include the United Kingdom, France, Switzerland, Federal Republic of Germany, Sweden, Denmark, and the Netherlands. Topics discussed include noise monitoring, airport curfews, land use planning, and the government structure for noise regulation.

Spencer, F. A.↗

Solutions Network Formulation Report. Visible/Infrared Imager/Radiometer Suite and Advanced Microwave Scanning Radiometer Data Products for National Drought Monitor Decision Support

Drought effects are either direct or indirect depending on location, population, and regional economic vitality. Common direct effects of drought are reduced crop, rangeland, and forest productivity; increased fire hazard; reduced water levels; increased livestock and wildlife mortality rates; and damage to wildlife and fish habitat. Indirect impacts follow on the heels of direct impacts. For example, a reduction in crop, rangeland, and forest productivity may result in reduced income for farmers and agribusiness, increased prices for food and timber, unemployment, reduced tax revenues, increased crime, foreclosures on bank loans to farmers and businesses, migration, and disaster relief programs. In the United States alone, drought is estimated to result in annual losses of between $6 - 8 billion. Recent sustained drought in the United States has made decision-makers aware of the impacts of climate change on society and environment. The eight major droughts that occurred in the United States between 1980 and 1999 accounted for the largest percentage of weather-related monetary losses. Monitoring drought and its impact that occurs at a variety of scales is an important government activity -- not only nationally but internationally as well. The NDMC (National Drought Mitigation Center) and the USDA (U.S. Department of Agriculture) RMA (Risk Management Agency) have partnered together to develop a DM-DSS (Drought Monitoring Decision Support System). This monitoring system will be an interactive portal that will provide users the ability to visualize and assess drought at all levels. This candidate solution incorporates atmospherically corrected VIIRS data products, such as NDVI (Normalized Difference Vegetation Index) and Ocean SST (sea surface temperature), and AMSR-E soil moisture data products into two NDMC vegetation indices -- VegDRI (Vegetation Drought Response Index) and VegOUT (Vegetation Outlook) -- which are then input into the DM-DSS.

Estep, Leland↗