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NASA NTRS2018

Expansion and Age of the X-Ray Synchrotron-Dominated Supernova Remnant G330.2+1.0

We report new Chandra observations of one of the few Galactic supernova remnants whose X-ray spectrum is dominated by nonthermal synchrotron radiation, G330.2+1.0. We find that between 2006 and 2017, some parts of the shell have expanded by about 1%, giving a free-expansion (undecelerated) age of about 1000 yr, and implying shock velocities there of 9000 km/s for a distance of 5 kpc. Somewhat slower expansion is seen elsewhere around the remnant periphery, in particular in compact knots. Because some deceleration must have taken place, we infer that G330.2+1.0 is less than about 1000 yr old. Thus, G330.2+1.0 is one of only four Galactic core-collapse remnants of the last millennium. The large size, low brightness, and young age require a very low ambient density, suggesting expansion in a stellar-wind bubble. We suggest that in the east, where some thermal emission is seen and expansion velocities are much slower, the shock has reached the edge of the cavity. The high shock velocities can easily accelerate relativistic electrons to X-ray-emitting energies. A few small regions show highly significant brightness changes by 10%–20%, both brightening and fading, a phenomenon previously observed in only two supernova remnants, indicating strong and/or turbulent magnetic fields.

Borkowski, Kazimierz J.↗

DOE OSTI2022

Challenges of Future Accelerators for Particle Physics Research

For over half a century, high-energy particle accelerators have been a major enabling technology for particle and nuclear physics research as well as sources of X-rays for photon science research in material science, chemistry and biology. Particle accelerators for energy and intensity Frontier research in particle and nuclear physics continuously push the accelerator community to invent ways to increase the energy and improve the performance of accelerators, reduce their cost, and make them more power efficient. The accelerator community has demonstrated imagination and creativity in developing a plethora of future accelerator ideas and proposals. The technical maturity of the proposed facilities ranges from shovel-ready to those that are still largely conceptual. At this time, over 100 contributed papers have been submitted to the Accelerator Frontier of the US particle physics decadal community planning exercise known as Snowmass’2021. These papers cover a broad spectrum of topics: beam physics and accelerator education, accelerators for neutrinos, colliders for Electroweak/Higgs studies and multi-TeV energies, accelerators for Physics Beyond Colliders and rare processes, advanced accelerator concepts, and accelerator technology for Radio Frequency cavities (RF), magnets, targets and sources. This paper provides an overview of the present state of accelerators for particle physics and gives a brief description of some of the major facilities that have been proposed, their perceived advantages and some of the remaining challenges.

43 PARTICLE ACCELERATORS↗

DOE OSTI2023

Design of Diverse Asymmetric Pockets in De Novo Homo-oligomeric Proteins

A challenge for design of protein–small-molecule recognition is that incorporation of cavities with size, shape, and composition suitable for specific recognition can considerably destabilize protein monomers. This challenge can be overcome through binding pockets formed at homo-oligomeric interfaces between folded monomers. Interfaces surrounding the central homo-oligomer symmetry axes necessarily have the same symmetry and so may not be well suited to binding asymmetric molecules. To enable general recognition of arbitrary asymmetric substrates and small molecules, we developed an approach to designing asymmetric interfaces at off-axis sites on homo-oligomers, analogous to those found in native homo-oligomeric proteins such as glutamine synthetase. We symmetrically dock curved helical repeat proteins such that they form pockets at the asymmetric interface of the oligomer with sizes ranging from several angstroms, appropriate for binding a single ion, to up to more than 20 Å across. Of the 133 proteins tested, 84 had soluble expression in E. coli, 47 had correct oligomeric states in solution, 35 had small-angle X-ray scattering (SAXS) data largely consistent with design models, and 8 had negative-stain electron microscopy (nsEM) 2D class averages showing the structures coming together as designed. Both an X-ray crystal structure and a cryogenic electron microscopy (cryoEM) structure are close to the computational design models. The nature of these proteins as homo-oligomers allows them to be readily built into higher-order structures such as nanocages, and the asymmetric pockets of these structures open rich possibilities for small-molecule binder design free from the constraints associated with monomer destabilization.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2022

Molecular dissection of the glutamine synthetase-GlnR nitrogen regulatory circuitry in Gram-positive bacteria

How bacteria sense and respond to nitrogen levels are central questions in microbial physiology. In Gram-positive bacteria, nitrogen homeostasis is controlled by an operon encoding glutamine synthetase (GS), a dodecameric machine that assimilates ammonium into glutamine, and the GlnR repressor. GlnR detects nitrogen excess indirectly by binding glutamine-feedback-inhibited-GS (FBI-GS), which activates its transcription-repression function. The molecular mechanisms behind this regulatory circuitry, however, are unknown. Here we describe biochemical and structural analyses of GS and FBI-GS-GlnR complexes from pathogenic and non-pathogenic Gram-positive bacteria. The structures show FBI-GS binds the GlnR C-terminal domain within its active-site cavity, juxtaposing two GlnR monomers to form a DNA-binding-competent GlnR dimer. The FBI-GS-GlnR interaction stabilizes the inactive GS conformation. Strikingly, this interaction also favors a remarkable dodecamer to tetradecamer transition in some GS, breaking the paradigm that all bacterial GS are dodecamers. These data thus unveil unique structural mechanisms of transcription and enzymatic regulation.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2023

Triepoxide formation by a flavin-dependent monooxygenase in monensin biosynthesis

Monensin A is a prototypical natural polyether polyketide antibiotic. It acts by binding a metal cation and facilitating its transport across the cell membrane. Biosynthesis of monensin A involves construction of a polyene polyketide backbone, subsequent epoxidation of the alkenes, and, lastly, formation of cyclic ethers via epoxide-opening cyclization. MonCI, a flavin-dependent monooxygenase, is thought to transform all three alkenes in the intermediate polyketide premonensin A into epoxides. Our crystallographic study has revealed that MonCI’s exquisite stereocontrol is due to the preorganization of the active site residues which allows only one specific face of the alkene to approach the reactive C(4a)-hydroperoxyflavin moiety. Furthermore, MonCI has an unusually large substrate-binding cavity that can accommodate premonensin A in an extended or folded conformation which allows any of the three alkenes to be placed next to C(4a)-hydroperoxyflavin. Importantly, MonCI, with its ability to perform multiple epoxidations on the same substrate in a stereospecific manner, demonstrates the extraordinary versatility of the flavin-dependent monooxygenase family of enzymes.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2022

Peculiarities of planar shockwave interaction with air–water interface and solid target

We present the results of the research on underwater electrical explosion of planar copper wire arrays, accompanied by the generation of a planar shock, using the synchrotron-based phase-contrast radiography imaging capabilities of the ID19 beamline at the European Synchrotron Radiation Facility. It is shown that the interaction of a strong shock with an air–water interface leads to additional acceleration of the wire expansion due to a rarefaction wave along with the emergence of micro-jets. In the case of a target placed above the array, we observed the formation of a cavity between the array and the target due to the interaction of two rarefaction waves. Furthermore, the results of two-dimensional hydrodynamic simulations of the wire explosion and the interaction of the generated shock with the water–air and water-target interfaces showed good agreement with experimental results.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS2011

Heliocentric Distance of Coronal Mass Ejections at the Time of Energetic Particle Release: Revisiting the Ground Level Enhancement Events of Solar Cycle 23

Using the kinematics of coronal mass ejections (CMEs), onset time of soft X-ray flares, and the finite size of the pre-eruption CME structure, we derive the heliocentric distan~e at which the energetic particles during the ground level enhancement (GLE) events of Solar Cycle 23. We find that the GLE particles are released when the CMEs reach an average heliocentric distance of approx.3.25 solar radii (Rs). From this we infer that the shocks accelerating the particles are located at similar heights. Type II radio burst observations indicate that the CMEs are at much lower distances (average approx.1.4 Rs) when the CME-driven shock first forms. The shock seems to travel approx.1.8 Rs over a period of approox.30 min on the average before releasing the GLE particles. In deriving these results, we made three assumptions that have observational support: (i) the CME lift off occurs from an initial distance of about 1.25 Rs; (ii) the flare onset and CME onset are one and the same because these are two different manifestations of the same eruption; and (iii) the CME has positive acceleration from the onset to the first appearance in the coronagraphic field of view (2.5 to 6 Rs). Observations of coronal cavities in eclipse pictures and in coronagraphic images justify the assumption (i). The close relationship between the flare reconnection magnetic flux and the azimuthal flux of interplanetary magnetic clouds justify assumption (ii) consistent with the standard model (CSHKP) of solar eruption. Coronagraphic observations made close to the solar surface indicate a large positive acceleration of CMEs to a heliocentric distance of approx.3 Rs before they start slowing down due to the drag force. The inferred acceleration (approx.1.5 km/s/s) is consistent with reported values in the literature.

Gopalswamy, Natchimuthuk↗

DOE OSTI2022

Structure-based design of prefusion-stabilized human metapneumovirus fusion proteins

The human metapneumovirus (hMPV) fusion (F) protein is essential for viral entry and is a key target of neutralizing antibodies and vaccine development. The prefusion conformation is thought to be the optimal vaccine antigen, but previously described prefusion F proteins expressed poorly and were not well stabilized. Here, we use structures of hMPV F to guide the design of 42 variants containing stabilizing substitutions. Through combinatorial addition of disulfide bonds, cavity-filling substitutions, and improved electrostatic interactions, we describe a prefusion-stabilized F protein (DS-CavEs2) that expresses at 15mg/L and has a melting temperature of 71.9°C. Crystal structures of two prefusion-stabilized hMPV F variants reveal that antigenic surfaces are largely unperturbed. Importantly, immunization of mice with DS-CavEs2 elicits significantly higher neutralizing antibody titers against hMPV A1 and B1 viruses than postfusion F. The improved properties of DS-CavEs2 will advance the development of hMPV vaccines and the isolation of therapeutic antibodies.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2022

X-ray FEL linear accelerator design via start-to-end global optimization

An X-ray Free Electron Laser (FEL) prefers using an electron beam with low emittance, small energy spread, and a high core current to generate coherent radiation through an undulator. In order to attain such a high brightness beam, the linear accelerator beam dynamics design generally involves separate photoinjector optimization and linac optimization. In this paper, we propose a new beam dynamics design strategy based on global optimization with fast start-to-end simulations from the photocathode to the end of the accelerator. The new start-to-end model significantly reduces the simulation time and makes the global optimization practical. The global optimization method avoids the need to choose a single solution based on bunch length at the injector exit for the linac optimization and helps find the solution with unfavorable bunch length at the injector exit but better phase space distribution that can result in better final electron beam phase space distribution at the entrance of the undulator. Here, using the start-to-end global optimization, we showed in an application example, with a 100 pC beam that good transverse emittance and over kilo-Ampere final core current can be attained using a photoinjector that consists of a VHF gun and boosting RF cavities.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2025

Revealing mechanisms of processing defect mitigation in laser powder bed fusion via shaped beams using high-speed X-ray imaging

The laser powder bed fusion (LPBF) process utilizing a focused Gaussian-shaped beam faces challenges, including pore formation, melt pool fluctuation and liquid spattering. While beam shaping technology has been explored as a potential approach for defect mitigation, the beam-matter interaction dynamics during melting with shaped beams remain unclear. Here, we report the direct observation of ring-shaped beam-matter interaction dynamics, including pore formation, melt pool fluctuation and liquid spattering, and unveil defect mitigation mechanisms in ring-shaped beam laser powder bed fusion process. Here, we find that, by spatially manipulating incident laser rays, the ring-shaped beam controls keyhole morphology, thereby managing the distribution of the reflected rays. This manipulation can effectively eliminate the formation of an unstable cavity at the keyhole tip, stabilizing the keyhole and mitigating keyhole pores. This enhanced keyhole stability effectively reduces the melt pool fluctuation, the formation of liquid breakup induced spatters and liquid droplet colliding induced large spatters in the laser powder bed fusion process. Additionally, the high-energy forefront of the ring-shaped beam effectively melts the powder bed, reducing agglomeration liquid spatter in the laser powder bed fusion process. The discovered defect mitigation mechanisms may guide the design of beam shaping strategies for simultaneously increasing the quality and productivity of metal additive manufacturing.

Beam shaping↗

DOE OSTI2024

Phase stability and microstructure of neutron-irradiated substoichiometric yttrium dihydrides

The impact of the neutron-displacement damage on phase stability and microstructure of substoichiometric yttrium dihydrides (YH x , x <2) were investigated to assess their use as solid moderator in high-temperature nuclear reactors. YH x specimens were, thus, subjected to neutron irradiations in the range of 0.1–2 displacements per yttrium atom (dpa-Y) in the temperature range of 536–878°C at the Oak Ridge National Laboratory's (ORNL's) High Flux Isotope Reactor (HFIR). YH x specimens were initially prepared at stoichiometry (H/Y) ratios of 1.69 and 1.83. HFIR-irradiated specimens were characterized by variety of techniques to investigate H retention characteristics including dimensional analysis, optical microscopy, scanning electron microscopy electron back scatter diffraction (EBSD), transmission electron microscopy, thermal desorption spectroscopy (TDS), and high-energy x-ray diffraction (HE-XRD) characterizations. Overall, YH x exhibited notable structural and phase stability under short-term neutron-irradiation, except for the samples with significant silicon carbide (SiC) interaction at high doses and temperatures. Basic dimensional and mass measurements were misleading for accurate assessment of H retention, as confirmed by EBSD phase maps, XRD line profiles, and TDS signals. Thus, it was discussed that a robust H retention metric is needed to assess irradiated hydrides. Further, nanoscale cavities were observed as a result of the neutron irradiation in all samples. Although no clear impact of dose and irradiation temperature was determined, the initial H/Y ratio had an impact on the cavity number density where low H/Y specimens had high-resistance to cavity formation. The Y-vacancy cluster formation at the collision stage of the displacement cascade and their stabilization by H were considered to be the likely underlying mechanisms for the observed cavity microstructure.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2023

Multiport High-pressure Fluid Cell (MHPFC) for Photon and Electron Beams

A multiport high-pressure fluid cell was developed based on an engineered thin film membrane solution with a reinforced frame of boron-doped silicon, optimized to withstand better pressure with an increase of 17.6% in average burst pressure over similar membranes without frame. The novel cells (patent pending) have 8 microfluidic ports, two intra-cavity electrodes and two pressure sensors on a 8 mm x 8 mm Si chip. The prototypes resisted up to 60 bar with 50-nm-thick silicon nitride membranes of size 70 nm x 70 nm. The cells can be used for testing reactions in fluids in medium-high pressure (up to 300 bar) using X-rays (primary application), electron beams, IR or visible light. Improvements in the pressure sensing setup and customization for applications are supposed to follow.

36 MATERIALS SCIENCE↗

NASA NTRS1984

A Model of the Soft X-ray Background as a Blast Wave Viewed from Inside

The suggestion that the soft X-ray background arises in part from the Sun which is inside a large supernova blastwave was examined by models of spherical blastwaves. The models can produce quantitative fits to both surface brightnesses and energy band ratios when t = 10 to the 5th power E sub o = 5 x 10 to the 50th power ergs, and n sub approx. 0.004 cm to the -3 power. The models are generalized by varying the relative importance of factors such as thermal conduction, Coulomb heating of electrons, and external pressure; and to allow the explosions to occur in preexisting cavities with steep density gradients, or by examination of the effects of large obstructions or other anisotrophies in the ambient medium.

Edgar, R. J.↗

NASA NTRS1992

Heating of H II regions with application to the Galactic center

The heating and thermal equilibrium of photoionized gas is reviewed. Photon-heating mechanisms (UV photoionization heating, grain photoelectric heating, and X-ray heating) either fail to provide the required heating rates or else require that the ionization state of the gas is very high. Specific application to the Galactic center observations show that the total heating power required to maintain the gas at the derived temperatures, using the observed emission measure in the bar and the temperature distribution derived from the radio recombination lines, is about 7 x 10 exp 6 solar luminosities, comparable to the bolometric luminosity of the central source as measured by the FIR flux from grains. Thus, the cooling emission from this hot gas, if LTE-derived temperatures are correct, would supply a major fraction of the bolometric and ionizing luminosity inferred from the ionized gas in the central 1 pc cavity and the dust and neutral gas in the surrounding torus.

Maloney, Philip R.↗

NASA NTRS2008

High Variability in Vela X-1: Giant Flares and Off States

Aims. We investigate the spectral and temporal behavior of the high mass X-ray binary Vela X-1 during a phase of high activity, with special focus on the observed giant flares and off states. Methods. INTEGRAL observed Vela X-1 in a long almost uninterrupted observation for two weeks in 2003 Nov/Dec. The data were analyzed with OSA 7.0 and FTOOLS 6.2. We derive the pulse period, light curves, spectra, hardness ratios, hardness intensity diagrams, and study the eclipse. Results. In addition to an already high activity level, Vela X-1 exhibited several very intense flares, the brightest ones reaching a maximum intensity of more than 5 Crab in the 20-40 keV band and several off states where the source is no longer detected by INTEGRAL. We determine the pulse period to be 283.5320 +/- 0.0002 s which is stable throughout the whole observation. Analyzing the eclipses resulted in an improvement of the ephemeris. Spectral analysis of the flares shows that there seem to be two types of flares: relatively brief flares which can be extremely intense, and show spectral softening, contrary to high intensity states which are longer and show no softening. Conclusions. Both flares and off states are interpreted as being due to a strongly structured wind of the optical companion. When Vela X-1 encounters a cavity with strongly reduced density, the flux will drop triggering the onset of the propeller effect which inhibits further accretion, thus giving rise to off states. The required drop of the density of the material to trigger the propeller effect in Vela X-1 is of the same order as predicted by theoretical papers on the densities in the OB star winds. The same structured wind can give rise to the giant flares when Vela X-1 encounters a dense blob in the wind.

Kreykenbohm, Ingo↗

NASA NTRS2013

Modeling Contamination Migration on the Chandra X-ray Observatory II

During its first 14 years of operation, the cold (about ‐60degC) optical blocking filter of the Advanced CCD Imaging Spectrometer (ACIS), aboard the Chandra X‐ray Observatory, has accumulated a growing layer of molecular contamination that attenuates low‐energy x rays. Over the past few years, the accumulation rate, spatial distribution, and composition may have changed, perhaps partially related to changes in the operating temperature of the ACIS housing. This evolution of the accumulation of the molecular contamination has motivated further analysis of contamination migration on the Chandra X‐ray Observatory, particularly within and near the ACIS cavity. To this end, the current study employs a higher‐fidelity geometric model of the ACIS cavity, detailed thermal modeling based upon monitored temperature data, and an accordingly refined model of the molecular transport.

O'Dell, Stephen L.↗

NASA NTRS2013

Modeling Contamination Migration on the Chandra X-ray Observatory II

O'Dell, Steve↗

NASA NTRS2013

Modeling Contamination Migration on the Chandra X-ray Observatory - II

During its first 14 years of operation, the cold (about -60C) optical blocking filter of the Advanced CCD Imaging Spectrometer (ACIS), aboard the Chandra X-ray Observatory, has accumulated a growing layer of molecular contamination that attenuates low-energy x rays. Over the past few years, the accumulation rate, spatial distribution, and composition have changed. This evolution has motivated further analysis of contamination migration within and near the ACIS cavity. To this end, the current study employs a higher-fidelity geometric model of the ACIS cavity, detailed thermal modeling based upon temperature data, and a refined model of the molecular transport.

O'Dell, Stephen L.↗