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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Steady state scenario development with elevated minimum safety factor on DIII-D

On DIII-D, a high β scenario with minimum safety factor (q min ) near 1.4 has been optimized with new tools and shown to be a favourable candidate for long pulse or steady state operation in future devices. Furthermore, the new capability to redirect up to 5 MW of neutral beam injection (NBI) from on- to off-axis improves the ability to sustain elevated q min with a less peaked pressure profile. The observed changes increase the ideal magnetohydrodynamics (MHD) n = 1 mode β N limit thus providing a path forward for increasing the noninductive current drive fraction by operating at high β N . Quasi-stationary discharges free of tearing modes have been sustained at βN = 3.5 and β T = 3.6% for two current profile diffusion timescales (about 3 s) limited by neutral beam duration. The discharge performance has normalized fusion performance expected to give fusion gain Q ≈ 5 in a device the size of ITER. Analysis of the poloidal flux evolution and current drive balance show that the loop voltage profile is almost relaxed even with 25% of the current driven inductively, and q min remains elevated near 1.4. Our observations increase confidence that the current profile will not evolve to one unstable to a tearing mode. In preliminary tests a divertor heat flux reduction technique based on producing a radiating mantle with neon injection appears compatible with this operating scenario. 0D model extrapolations suggest it may be possible to push this scenario up to 100% noninductive current drive by raising β N . Similar discharges with q min = 1.5–2 were susceptible to tearing modes and off-axis fishbones, and with q min > 2 lower normalized global energy confinement time is observed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Structure of the GH1 domain of guanylate kinase-associated protein from Rattus norvegicus

Graphical abstract: - Highlights: • The crystal structure of GKAP homology domain 1 (GH1) was determined. • GKAP GH1 is a three-helix bundle connected by short flexible loops. • The predicted helix α4 associates weakly with the helix α3, suggesting dynamic nature of the GH1 domain. - Abstract: Guanylate-kinase-associated protein (GKAP) is a scaffolding protein that links NMDA receptor-PSD-95 to Shank–Homer complexes by protein–protein interactions at the synaptic junction. GKAP family proteins are characterized by the presence of a C-terminal conserved GKAP homology domain 1 (GH1) of unknown structure and function. In this study, crystal structure of the GH1 domain of GKAP from Rattus norvegicus was determined in fusion with an N-terminal maltose-binding protein at 2.0 Å resolution. The structure of GKAP GH1 displays a three-helix bundle connected by short flexible loops. The predicted helix α4 which was not visible in the crystal structure associates weakly with the helix α3 suggesting dynamic nature of the GH1 domain. The strict conservation of GH1 domain across GKAP family members and the lack of a catalytic active site required for enzyme activity imply that the GH1 domain might serve as a protein–protein interaction module for the synaptic protein clustering.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2018

Parton shower and NLO-matching uncertainties in Higgs boson pair production

We perform a detailed study of NLO parton shower matching uncertainties in Higgs boson pair production through gluon fusion at the LHC based on a generic and process independent implementation of NLO subtraction and parton shower matching schemes for loop-induced processes in the Sherpa event generator. We take into account the full top-quark mass dependence in the two-loop virtual corrections and compare the results to an effective theory approximation. In the full calculation, our findings suggest large parton shower matching uncertainties that are absent in the effective theory approximation. Here, we observe large uncertainties even in regions of phase space where fixed-order calculations are theoretically well motivated and parton shower effects expected to be small. We compare our results to NLO matched parton shower simulations and analytic resummation results that are available in the literature.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2017

Potent peptidic fusion inhibitors of influenza virus

Influenza therapeutics with new targets and mechanisms of action are urgently needed to combat potential pandemics, emerging viruses, and constantly mutating strains in circulation. We report here on the design and structural characterization of potent peptidic inhibitors of influenza hemagglutinin. The peptide design was based on complementarity-determining region loops of human broadly neutralizing antibodies against the hemagglutinin (FI6v3 and CR9114). The optimized peptides exhibit nanomolar affinity and neutralization against influenza A group 1 viruses, including the 2009 H1N1 pandemic and avian H5N1 strains. The peptide inhibitors bind to the highly conserved stem epitope and block the low pH–induced conformational rearrangements associated with membrane fusion. These peptidic compounds and their advantageous biological properties should accelerate the development of new small molecule– and peptide-based therapeutics against influenza virus.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

Differential Membrane Binding Mechanics of Synaptotagmin Isoforms Observed in Atomic Detail

Synaptotagmin (Syt) is a membrane-associated protein involved in vesicle fusion through the SNARE complex that is found throughout the human body in 17 different isoforms. These isoforms have two membrane-binding C2 domains, which sense Ca 2+ and thereby promote anionic membrane binding and lead to vesicle fusion. Through molecular dynamics simulations using the HMMM acclerated bilayer model, we have investigated how small protein sequence changes in the Ca 2+ binding loops of the C2 domains may give rise to the experimentally determined difference in binding kinetics between Syt-1 and Syt-7 isoforms. Syt-7 C2 domains are found to form more close contacts with anionic phospholipid head groups, particularly in Loop 1, where an additional positive charge in Syt-7 draws the loop closer to the membrane and causes the anchoring residue F167 to insert deeper into the bilayer than the corresponding methionine in Syt-1 (M173). By carrying out additional replica exchange umbrella sampling calculations, we demonstrate that these additional contacts increase the energetic cost of unbinding the Syt-7 C2 domains from the bilayer, causing them to unbind more slowly than their counterparts in Syt-1.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Conceptual Design for a Blanket Tritium Extraction Test Stand

Future fusion reactors must be able to breed the tritium they will consume. Several breeding and tritium extraction technologies are under investigation internationally. PbLi is of particular interest as a breeder material. A new forced convection PbLi loop, the Tritium Extraction eXperiment (TEX), is being designed and constructed to investigate tritium extraction from PbLi. Specifically, TEX will serve to investigate the extraction efficiency of various vacuum permeator membranes and configurations. The major components of the loop include a moving magnet pump, reverse permeator, furnace test section, analysis chamber, supply tank, and plenum. As significant hazards are present in such experiments, safety is an integral focus of the experimental design.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Computer vision models and advanced TEM imaging for microstructures of irradiated AM316 stainless steels

Advancements were made in automating microscopy-based material characterization, particularly in studying irradiation effects on additively manufactured (AM) materials using machine learning (ML) and computer vision (CV). These automation efforts address the challenges of analyzing complex microstructures, accelerating the detection of irradiation-induced defects. Two CV models were developed at Argonne National Laboratory (ANL) to enhance transmission electron microscopy (TEM) analysis of irradiated AM 316 stainless steel. The first model focused on the detection of irradiation-induced dislocation loops, which contribute to material hardening and embrittlement. These loops, categorized as faulted or perfect, were automatically detected and classified using a Mask R-CNN model trained on TEM images from both in-situ and ex-situ ion irradiation experiments. The model achieved high accuracy, with precision, recall, and F1 scores of 0.839, 0.734, and 0.776, respectively, demonstrating its effectiveness in analyzing dislocation loops in irradiated AM materials. The second CV model was developed to analyze the size and wall thickness of dislocation cells in laser powder bed fusion (LPBF) 316 stainless steel. Using a U-Net++ architecture with EfficientNet as the encoder, the model was trained on TEM images to segment and measure cell size and wall thickness.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Sodium Chemistry Assessment and Initiation of Sodium Exposure Experiment on A709 Commercial Heats and LPBF 316H SS

This report documents sodium chemistry characterization and the initiation of forced‑convection sodium exposure experiments for two structural materials for sodium‑cooled fast reactors (SFRs): Alloy 709 (solution‑annealed and with an additional 775 °C/10 h precipitation treatment) and laser powder bed fusion (LPBF) 316H stainless steel tensile specimens printed with an as‑built surface condition. The sodium exposure experiment was conducted in a forced‑convection sodium loop with two vessels operated at 550 °C and 600 °C, and a cold trap maintained at <130 °C. Carbon activity in sodium was quantified using a nickel‑foil equilibration method. Initial post‑exposure evaluation after ~1,000 h indicates negligible thickness change for Alloy 709 and a small but measurable mass decrease. To isolate thermal effects from sodium effects, parallel thermal‑aging experiments were performed on Alloy 709 at 550 °C and 600 °C. Baseline tensile tests at room temperature, 550 °C, and 600 °C show expected reduction in strength with increasing temperature and serration tensile curves at elevated temperatures, consistent with dynamic strain aging. After 3,000 h thermal aging, Alloy 709 exhibits modest strengthening and reduced ductility at 550 °C. Together, these results establish the loop chemistry conditions and provide the initial corrosion and mechanical property results for ongoing long‑duration sodium exposure of Alloy 709 and LPBF 316H stainless steel.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2014

On the origin of super-hot electrons from intense laser interactions with solid targets having moderate scale length preformed plasmas

We use particle-in-cell modeling to identify the acceleration mechanism responsible for the observed generation of super-hot electrons in ultra-intense laser-plasma interactions with solid targets with pre-formed plasma. We identify several features of direct laser acceleration that drive the generation of super-hot electrons. We find that, in this regime, electrons that become super-hot are primarily injected by a looping mechanism that we call loop-injected direct acceleration.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Discovery of first-in-class inhibitors of ASH1L histone methyltransferase with anti-leukemic activity

ASH1L histone methyltransferase plays a crucial role in the pathogenesis of different diseases, including acute leukemia. While ASH1L represents an attractive drug target, developing ASH1L inhibitors is challenging, as the catalytic SET domain adapts an inactive conformation with autoinhibitory loop blocking the access to the active site. Here, by applying fragment-based screening followed by medicinal chemistry and a structure-based design, we developed first-in-class small molecule inhibitors of the ASH1L SET domain. The crystal structures of ASH1L-inhibitor complexes reveal compound binding to the autoinhibitory loop region in the SET domain. When tested in MLL leukemia models, our lead compound, AS-99, blocks cell proliferation, induces apoptosis and differentiation, downregulates MLL fusion target genes, and reduces the leukemia burden in vivo. This work validates the ASH1L SET domain as a druggable target and provides a chemical probe to further study the biological functions of ASH1L as well as to develop therapeutic agents.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

Experimental Activities with the IELLLO Lithium-Lead Facility

Fusion power offers the prospect of an almost inexhaustible source of energy for future generations. Although this may be true, it also presents so far serious scientific and engineering challenges. Breeding Blanket is one of key components of future fusion reactors, since it directly involves tritium breeding and energy extraction, both of them critical to development of fusion power. To deal with the development of Breeding Blankets, ENEA (Italian National Agency for New Technologies, Energy and Sustainable Economic Development) designed and built a lead lithium loop (IELLLO: Integrated European Lead Lithium Loop): the experiment aims to support R and D activities for the conceptual and preliminary design of the European test blanket systems. IELLLO was completed, installed and operated at ENEA Brasimone Research Centre. The purpose of this work is to describe the experimental activities that have been carried out concerning the qualification of the facility, and relative instrumentations, for lead lithium applications. A series of thermo-hydraulic investigations on IELLLO facility has been elaborated: lead lithium pressure transducers, heat exchanger, permanent magnet pumping system, mass flow meters and air cooler have been tested. The absolute pressure meter in contact with Pb-16Li was qualified in pressure range up to 10 bar and temperature up to 400 deg. C. The installation of new kinds of Pb-16Li differential pressure transducers will allow to check the pump characteristic curve and accurately calculate valves pressure drops. These factors could give a better information for the thermo-hydraulic qualification of the facility. Vortex Mass Flow Meter has shown good results in terms of accuracy. The performance has been validated by thermal balance with a dedicated heating system. Nevertheless, the installations of different types of mass flow meters will enable to test IELLLO at ITER relevant conditions, and at lower mass flow rates than those tested up to now. The new pumping system with a PM Pump, was qualified for the first time in Pb-16Li, and the procedure for the operation and maintenance of the pump was developed. The pump is able to supply a mass flow rate in the range from 1.2 to 2.4 kg/s with a temperature of Pb-16Li up to 550 deg. C in the test section. Significant results have been obtained also for the heat exchanger, which has shown high efficiencies, even more than expected. Likewise, the Air Cooler has been verified to be able to cool Pb-16Li in a relatively short time, even at the worst temperature and mass flow conditions. (authors)

42 ENGINEERING↗
DOE OSTI2021

Compatibility of FeCrAlMo in Flowing Pb-Li at 600°C to 700°C

A series of monometallic thermal convection loops (TCLs) has been conducted to determine the maximum temperature where FeCrAl alloys have compatibility with eutectic lead lithium (Pb-Li) for a dual-coolant fusion blanket. Pre-oxidizing commercial alloy APMT (Fe-21Cr-5Al-3Mo) for 2 h at 1000°C to form a surface α-Al 2 O 3 layer was very effective in reducing the mass loss of specimens in the hot and cold legs of the most recent TCL that was operated for 1000 h with a peak temperature of 700°C. However, unlike previous experiments, the postexposure room temperature ductility of many of the APMT specimens was degraded to <10% total elongation, and many of the specimens at the highest temperature (>680°C) were severely damaged or were not recovered. Furthermore, wide-angle X-ray scattering found that the pre-formed α-Al 2 O 3 scale transformed to a mixture of trigonal and tetragonal LiAlO 2 . The overall results suggest that the maximum temperature for FeCrAl is limited to <700°C.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Plasma-assisted chemical-looping combustion: Mechanistic insights into low temperature methane oxidation with CuO

The low-temperature oxidation of CH 4 by CuO in a coaxial, fixed bed, double dielectric barrier discharge (DBD) reactor was investigated with time-dependent species measurements by an electron-ionization molecular beam mass spectrometer (EI-MBMS). In the experiment, 10% methane carried by noble gasses was flown at 50 sccm through 1 g CuO dispersed in quartz wool both under plasma and non-plasma conditions, while time-dependent gas-phase species profiles were collected. Plasma conditions were explored from 300 to 600 °C while the non-plasma conditions were set from 300 to 900 °C. Mechanistic insights into the oxidation of CH 4 by CuO with plasma discharge at lower temperatures (≤ 600 °C) were obtained by quantifying the fuel oxidation, intermediate species, and CO 2 production in comparison to the non-plasma conditions. Here, we observed significant enhancement of fuel oxidation from the plasma discharge between 400 and 500 °C. The CO 2 production at 500 °C with plasma was greater than that at 700 °C without plasma, reducing fuel oxidation temperature by 200+ °C. During tests, three distinct reaction stages were observed: a gas-phase transport limited stage, a surface reaction limited kinetic stage, and an oxygen ion diffusion limited stage. It was observed that plasma greatly improved the reactivity of the second stage at low temperature. In addition, no carbon deposits were observed on the resultant particles, even under the presence of plasma. M. species such as C 4 H 2 and C 6 H 6 not previously observed or predicted in CuO/CH 4 chemical looping were observed, with some species such as CH 3 OH only becoming detectable as total flowrate was increased from 50 to 1500sccm. A non-plasma reaction pathway for CH 4 based the observed species from the MBMS spectrum and previous predictions from reactive molecular dynamics simulations was created, providing a framework from which more complex plasma CuO mechanisms can be crafted from.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Performance of low-loss demountable joints between CORC ® cable-in-conduit-conductors at magnetic fields up to 8 T developed for fusion magnets

Abstract High-temperature superconductors (HTS) are promising candidates for use in the high-field magnets needed in particle accelerators and fusion reactors. HTS conductor on round core (CORC ® ) cables and wires wound from ReBa 2 Cu 3 O 7- x (REBCO) coated tapes are being developed for use in high-field magnet applications including fusion magnets operating at currents beyond 80 kA, requiring them to be bundled into cable-in-conduit conductor (CICC) configurations. The use of HTS cables enable demountable superconducting fusion magnets that would allow easier access to the fusion machine for maintenance and parts replacement. Such demountable magnets require practical, low-resistance joints, capable of injecting current uniformly into the many REBCO tapes that make up different cable designs. Optimization steps on CORC ® cables have resulted in high-current terminations and joints with a joint resistance measured between a pair of 30-tape CORC ® cables of 51 nΩ at 76 K and 1.9 nΩ at 4 K. Demountable joints between CICCs consisting of six CORC ® cables arranged in flat and round configurations were also tested and compared to joints between low-temperature superconducting (LTS) CICCs consisting of NbTi Rutherford cables. Samples were paired into two configurations (LTS-to-LTS and HTS-to-HTS) with a demountable joint between them that were each tested in series with currents up to 10 000 A in an applied background magnetic field of up to 8 T. The total loop resistance of the HTS-to-HTS sample, including their terminations and joint, was about 4 nΩ at 4 K in self-field with the resistance of the copper pressed joint being less than 1 nΩ. At 8 T, the total loop resistance increased to 6.9 nΩ with the pressed joint contributing 1.4 nΩ. These initial tests prove the feasibility of producing remountable (dry) joints with low resistance between superconducting magnet windings in future compact fusion machines.

Physics↗
DOE OSTI2025

Building a new multiphysics workflow in MOOSE: application to tritium migration, trapping and advection in TMAP8

Fusion devices are anticipated to produce and consume several kilograms of tritium per year. This rare fuel resource is both highly mobile and radioactive, making tracking inventories a priority for operation and safety. The fusion safety program at the Idaho National Laboratory has been developing the Tritium Migration and Analysis Program (TMAP), of which the latest version is a MOOSE-based application. TMAP8 is verified against its predecessors and possesses additional multi-dimensional tritium migration modeling capabilities. As we extend its capabilities towards both whole device (in multiple dimensions) and whole plant (with multiple components) simulations, the syntax of inputs must become compact, descriptive, compatible with quality assurance processes, and as error-proof as achievable. The new Physics system developed MOOSE can set up equations and instantiating them on plant components. The system permits the automatic definition of complex discretization with a consistency between object parameters achieved programmatically. The Physics system can currently instantiate the equations for heat conduction and Navier Stokes weakly compressible flow. In MOOSE-terms, it automates the definition of kernels, boundary conditions, and several core and helper materials and fields. As part of this effort, Physics classes were developed for tritium migration, trapping and advection within either a multi-dimensional Navier Stokes fluid dynamics simulation, or a 1D thermal hydraulics piping system. In this presentation, we will showcase the new syntax, its application to several verification and validation cases which were already studied using the classical TMAP8 syntax, and a demonstration of the new coupling capabilities for the migration of tritium into blanket coolant channels and the subsequent advection into the coolant loop.

70 - PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Structural basis and mode of action for two broadly neutralizing antibodies against SARS-CoV-2 emerging variants of concern

Emerging variants of concern for the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) can transmit more efficiently and partially evade protective immune responses, thus necessitating continued refinement of antibody therapies and immunogen design. Here, we elucidate the structural basis and mode of action for two potent SARS-CoV-2 spike (S)-neutralizing monoclonal antibodies, CV3-1 and CV3-25, which remain effective against emerging variants of concern in vitro and in vivo. CV3-1 binds to the (485-GFN-487) loop within the receptor-binding domain (RBD) in the “RBD-up” position and triggers potent shedding of the S1 subunit. In contrast, CV3-25 inhibits membrane fusion by binding to an epitope in the stem helix region of the S2 subunit that is highly conserved among β-coronaviruses. Thus, vaccine immunogen designs that incorporate the conserved regions in the RBD and stem helix region are candidates to elicit pan-coronavirus protective immune responses.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Structure and Interactions of HIV-1 gp41 CHR-NHR Reverse Hairpin Constructs Reveal Molecular Determinants of Antiviral Activity

Engineered reverse hairpin constructs containing a partial C-heptad repeat (CHR) sequence followed by a short loop and full-length N-heptad repeat (NHR) were previously shown to form trimers in solution and to be nanomolar inhibitors of HIV-1 Env mediated fusion. Their target is the in situ gp41 fusion intermediate, and they have similar potency to other previously reported NHR trimers. However, their design implies that the NHR is partially covered by CHR, which would be expected to limit potency. An exposed hydrophobic pocket in the folded structure may be sufficient to confer the observed potency, or they may exist in a partially unfolded state exposing full length NHR. Here, in this study, we examined their structure by crystallography, CD and fluorescence, establishing that the proteins are folded hairpins both in crystal form and in solution. We examined unfolding in the milieu of the fusion reaction by conducting experiments in the presence of a membrane mimetic solvent and by engineering a disulfide bond into the structure to prevent partial unfolding. We further examined the role of the hydrophobic pocket, using a hairpin-small molecule adduct that occluded the pocket, as confirmed by X-ray footprinting. The results demonstrated that the NHR region nominally covered by CHR in the engineered constructs and the hydrophobic pocket region that is exposed by design were both essential for nanomolar potency and that interaction with membrane is likely to play a role in promoting the required inhibitor structure. The design concepts can be applied to other Class 1 viral fusion proteins.

59 BASIC BIOLOGICAL SCIENCES↗