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At least 559 records · Page 31

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DOE OSTI2022

The Variability of the Black Hole Image in M87 at the Dynamical Timescale

The black hole images obtained with the Event Horizon Telescope (EHT) are expected to be variable at the dynamical timescale near their horizons. For the black hole at the center of the M87 galaxy, this timescale (5–61 days) is comparable to the 6 day extent of the 2017 EHT observations. Closure phases along baseline triangles are robust interferometric observables that are sensitive to the expected structural changes of the images but are free of station-based atmospheric and instrumental errors. We explored the day-to-day variability in closure-phase measurements on all six linearly independent nontrivial baseline triangles that can be formed from the 2017 observations. We showed that three triangles exhibit very low day-to-day variability, with a dispersion of ∼3°–5°. The only triangles that exhibit substantially higher variability (∼90°–180°) are the ones with baselines that cross the visibility amplitude minima on the u–v plane, as expected from theoretical modeling. We used two sets of general relativistic magnetohydrodynamic simulations to explore the dependence of the predicted variability on various black hole and accretion-flow parameters. We found that changing the magnetic field configuration, electron temperature model, or black hole spin has a marginal effect on the model consistency with the observed level of variability. On the other hand, the most discriminating image characteristic of models is the fractional width of the bright ring of emission. Models that best reproduce the observed small level of variability are characterized by thin ring-like images with structures dominated by gravitational lensing effects and thus least affected by turbulence in the accreting plasmas.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRSDate not supplied

Zircon (U-Th)/He Impact Crater Thermochronometry and the Effects of Shock Microstructures on Helium Diffusion Kinetics

Absolute age determination of impact cratering events remains difficult and often controversial; a challenge that has resulted in < 50% of known impact craters regarded as accurately and precisely dated. Besides conventional 40Ar/39Ar and U-Pb methods, zircon (U-Th)/He (ZHe) dating of impactites has been applied to large- to medium-sized impact structures. ZHe dates can be fully reset in minutes at 1000°C, which is commonly reached in central sections of the melt sheet, whereas resetting of ZHe at <300°C, which might be encountered near the crater margins or persist in post-impact hydrothermal systems, may take >103-6 years. There is a critical need to quantify the effects of shock-induced microstructures and impact metamorphism on helium diffusion kinetics in well-characterized, variably shocked zircon to further establish the reliability of (U-Th)/He for dating impacts. For this purpose, we investigated suevite and impact melt samples from two impact structures, the Chicxulub multi-ring basin and the Ries complex crater, which enables us to compare zircon helium diffusion kinetics from impact structures with differing sizes, ages, and hydrothermal system longevities. Shock microstructures were characterized by backscattered-electron (BSE) imaging prior to diffusion step-heating fractional release experiments using light-bulb furnace with prograde and retrograde incremental 10°C steps from 250°C to 600°C. Afterward, we characterize the diffusion domain sizes and their interconnectivity within the shocked zircon grains using electron backscatter diffraction (EBSD). We find that zircon with few shock microstructures exhibit no significant deviation from helium diffusion kinetics of undamaged zircon. In contrast, zircon grains with planar deformation features (PDFs) and granular textures classified by BSE and EBSD are characterized by a dramatic decrease in helium retentivity, similar to radiation damaged grains, due to a reduction in the effective domain size and the introduction of interconnected fast diffusion pathways created by shock microstructures. A subset of grains were dated by ZHe after the external morphology of the grains was determined by BSE imaging. The euhedral grains yielded a weighted mean age within the uncertainty of the accepted impact ages, whereas the grains with PDFs or granular textures exhibited younger ages. Thus, these diffusion experiments and ZHe dates suggest that the dramatic decrease in domain size likely renders shocked grains more susceptible to impact-induced hydrothermal resetting and subsequent overprinting. Hence, characterization of shock microstructures is critical for determining accurate impact ages using ZHe methods especially when applied to previously unconstrained craters. The thermochronometer also offers the opportunity to determine the magnitude and duration of post-impact hydrothermal circulation.

zircon↗

NASA NTRS2024

Structural Differences Between Insoluble Organic Matter in Matrix and Chondrules: Potential Insights into Pre-Parent Body Thermal Alteration

Carbon is a major molecular constituent of primitive chondrites of low petrologic grade. A majority of the carbon (>70%) is in the insoluble organic matter (IOM) fraction that cannot be extracted from the meteorite sample using polar or nonpolar solvents. The IOM is comprised of a kerogen-like macromolecular carbon (MMC) structure that consists of aromatic rings connected by highly branching aliphatic chains. Raman spectroscopy is highly sensitive to IOM due to a strong resonance enhancement that occurs for all visible excitation wavelengths, making Raman a powerful in-situ probe of IOM. The Raman spectrum of IOM consists of two primary bands, the G band originates from all carbon-carbon bonds in the MMC structure and the D band that originates from carbon 6-member ring breathing motions. The peak position and width of the G and D bands probe the structure of the IOM. Using Raman spectroscopy, the IOM structure has been shown to correlate with the thermal alteration history of the meteorite, allowing for petrologic grade classification to the tenths place in the 3.0-3.9 range. Here, we have collected Raman images of GRA 06100,41 (CR2) for the examination of the IOM spatial distribution and observe significant differences between the IOM in the matrix and chondrules.

R S Jakubek↗

NASA NTRS1987

Dynamics of satellites, asteroids, and rings

Work is reported on: (1) the shapes and the internal structures of satellites; (2) the tidal heating of Miranda; (3) the dynamics of arc-like rings; and (4) the structure of the zodiacal cloud that was revealed by the Infrared Astronomy Satellite. Significant progress was made in determining the shape and internal structure of Mimas and in understanding the dynamical evolution of Miranda's orbit.

Dermott, Stanley F.↗

NASA NTRS2013

30-kW SEP Spacecraft as Secondary Payloads for Low-Cost Deep Space Science Missions

The Solar Array System contracts awarded by NASA's Space Technology Mission Directorate are developing solar arrays in the 30 kW to 50 kW power range (beginning of life at 1 AU) that have significantly higher specific powers (W/kg) and much smaller stowed volumes than conventional rigid-panel arrays. The successful development of these solar array technologies has the potential to enable new types of solar electric propulsion (SEP) vehicles and missions. This paper describes a 30-kW electric propulsion vehicle built into an EELV Secondary Payload Adapter (ESPA) ring. The system uses an ESPA ring as the primary structure and packages two 15-kW Megaflex solar array wings, two 14-kW Hall thrusters, a hydrazine Reaction Control Subsystem (RCS), 220 kg of xenon, 26 kg of hydrazine, and an avionics module that contains all of the rest of the spacecraft bus functions and the instrument suite. Direct-drive is used to maximize the propulsion subsystem efficiency and minimize the resulting waste heat and required radiator area. This is critical for packaging a high-power spacecraft into a very small volume. The fully-margined system dry mass would be approximately 1120 kg. This is not a small dry mass for a Discovery-class spacecraft, for example, the Dawn spacecraft dry mass was only about 750 kg. But the Dawn electric propulsion subsystem could process a maximum input power of 2.5 kW, and this spacecraft would process 28 kW, an increase of more than a factor of ten. With direct-drive the specific impulse would be limited to about 2,000 s assuming a nominal solar array output voltage of 300 V. The resulting spacecraft would have a beginning of life acceleration that is more than an order of magnitude greater than the Dawn spacecraft. Since the spacecraft would be built into an ESPA ring it could be launched as a secondary payload to a geosynchronous transfer orbit significantly reducing the launch costs for a planetary spacecraft. The SEP system would perform the escape from Earth and then the heliocentric transfer to the science target.

Dawn spacecraft↗

DOE OSTI2021

Composite entanglement topology and extensional rheology of symmetric ring-linear polymer blends

Extensive molecular simulations are applied to characterize the equilibrium dynamics, entanglement topology, and nonlinear extensional rheology of symmetric ring-linear polymer blends with systematically varied ring fraction ϕR. Chains with degree of entanglement Z≈14 are mixed to produce 10 well-entangled systems with ϕR varying from neat linear to neat ring melts. Z is large enough that except for very large ϕR, the rings are threaded by multiple linear chains in equilibrium. Primitive path analysis is used to visualize and quantify the structure of the composite ring-linear entanglement network. We measure the quantity of ring-linear threading and linear-linear entanglement as a function of ϕR and identify with simple arguments a ring fraction ϕR≈0.4 where the topological constraints of the composite entanglement network are maximized. These topological analyses are used to rationalize the ϕR-dependence of ring and linear chain dynamics, conformations, and rheology. Simulations of startup uniaxial elongation flows demonstrate the extensional stress overshoot observed in recent filament stretching experiments and characterize how it depends on the blend composition and entanglement topology. The overshoot is driven by an overstretching and recoil of ring polymers due to the convective unthreading of rings from linear chains.

O’Connor, Thomas C.↗

NASA NTRS1987

Nonlinear shell analyses of the SRB/ETA ring interface

Two-dimensional shell models of the portion of the solid rocket booster (SRB) with the external tank attachment (ETA) ring were developed using the STAGSC-1 computer code. These analyses were performed in support of the SRB recertification program underway at the NASA Marshall Space Flight Center. The purpose of these analyses is to calculate the overall stress and deflection distributions for the SRB/ETA ring interface. An overview of the SRB/ETA ring geometry is presented followed by a discussion of the analysis methods and finite element models. Finally, the nonlinear structural response of the SRB/ETA ring interface is discussed.

Knight, Norman F., Jr.↗

NASA NTRS2016

Gravity Field of the Orientale Basin from the Gravity Recovery and Interior Laboratory Mission

The Orientale basin is the youngest and best-preserved major impact structure on the Moon. We used the Gravity Recovery and Interior Laboratory (GRAIL) spacecraft to investigate the gravitational field of Orientale at 3- to 5-kilometer (km) horizontal resolution. A volume of at least (3.4 +/- 0.2) × 10(exp 6) cu km of crustal material was removed and redistributed during basin formation. There is no preserved evidence of the transient crater that would reveal the basin's maximum volume, but its diameter may now be inferred to be between 320 and 460 km. The gravity field resolves distinctive structures of Orientale's three rings and suggests the presence of faults associated with the outer two that penetrate to the mantle. The crustal structure of Orientale provides constraints on the formation of multiring basins.

Zuber, Maria T.↗

NASA NTRS1977

Origin of outer rings in lunar multi-ringed basins - Evidence from morphology and ring spacing

The reported investigation has the objective to examine both the morphology and morphometry of several of the freshest lunar basins including Orientale, Imbrium, Nectaris, Crisium, and Humorum, and to compare the characteristics of their three most prominent rings to features in smaller craters. On the basis of comparisons it is concluded that the outer basin ring forms within the region where significant structural uplift of the basin rim is to be expected. Therefore the formation of the outer ring scarp may be closely associated with structural uplift of the inner portion of the crater rim flank. According to a model suggested for the origin of the outer two rings, the cratering event formed two inner rings, a central peak ring, and an uplifted crater rim crest, with deposition of ejecta during the process.

Head, J. W.↗

NASA NTRS1999

Integral Ring Carbon-Carbon Piston

An improved structure for a reciprocating internal combustion engine or compressor piston fabricate from carbon-carbon composite materials is disclosed. An integral ring carbon-carbon composite piston, disclosed herein, reduces the need for piston rings and for small clearances by providing a small flexible, integral component around the piston that allows for variation in clearance due to manufacturing tolerances, distortion due to pressure and thermal loads, and variations in thermal expansion differences between the piston and cylinder liner.

Northam, G. Burton↗

DOE OSTI2020

Enhanced intersystem crossing of boron dipyrromethene by TEMPO radical

Radical enhanced intersystem crossing (EISC) of organic chromophores is an important approach to generate a long-lived triplet state for various electronic and optoelectronic applications. However, structural factors and design rules to promote EISC are not entirely clear. In this work, we report a series of boron dipyrromethene (BODIPY) derivatives covalently linked with a 2,2,6,6-tetramethyl-1-piperidinyloxyl (TEMPO) radical with varying distances and topologies. We show that the incorporation of the TEMPO radical to BODIPY results in strong fluorescence quenching by up to 85% as a result of EISC and enhanced internal conversion. In BDP-2AR [2-(4-methyleneamino-TEMPO) BODIPY], a dyad with the shortest BODIPY–TEMPO through-bond distance, we observe the fastest EISC rate (τ isc = 1.4 ns) and the longest triplet excited state lifetime (τ T = 32 μs) compared to other distance and geometry variations. Contrary to previous reports and a general presumption, the BODIPY–TEMPO through-bond distance in this system does not play a significant role on the triplet formation rate and yield. Finally, density functional theory suggests a folding of the TEMPO radical to form a sandwich-like structure with a BODIPY ring that leads to a decrease in the through-space distance, providing a new and an interesting insight for the radical enhanced intersystem.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Unified understanding of the impact of semiflexibility, concentration, and molecular weight on macromolecular-scale ring diffusion

Conformationally fluctuating, globally compact macromolecules such as polymeric rings, single-chain nanoparticles, microgels, and many-arm stars display complex dynamic behaviors due to their rich topological structure and intermolecular organization. Synthetic rings are hybrid objects with conformations that display both ideal random walk and compact globular features, which can serve as models of genomic DNA. To date, emphasis has been placed on the effect of ring molecular weight on their unusual behaviors. Here, we combine simulations and a microscopic force-level theory to build a unified understanding for how key aspects of ring dynamics depend on different tunable molecular properties including backbone rigidity, monomer concentration, degree of traditional entanglement, and molecular weight. Our large-scale molecular dynamics simulations of ring melts with very different backbone stiffnesses reveal unanticipated behaviors which agree well with our generalized theory. This includes a universal master curve for center-of-mass diffusion constants as a function of molecular weight scaled by a chemistry and thermodynamic state-dependent critical molecular weight that generalizes the concept of an entanglement cross-over for linear chains. The key physics is how backbone rigidity and monomer concentration induced changes of the entanglement length, interring packing, degree of interpenetration, and liquid compressibility slow down space-time dynamic-force correlations on macromolecular scales. A power law decay of the center-of-mass diffusion constant with inverse molecular weight squared is the first consequence, followed by an ultraslow activated hopping transport regime. Our results set the stage to address slow dynamics and kinetic arrest in different families of compact synthetic and biological polymeric systems.

Science & Technology - Other Topics↗

DOE OSTI2022

A Novel Zinc Binding Group for HDAC6 Inhibition

Histone deacetylases (HDAC’s) are key regulatory enzymes in gene transcription and cellular motility through the deacetylation of lysine residues. These enzymes bear a distinct clinical significance, as the upregulation of HDACs has been associated with oncogenesis for many hematological malignancies and proliferation of other neurodegenerative or immune disorders. There are four different classes of HDACs, three of which require zinc for catalysis. Among the zinc dependent isozymes, HDAC6 is thought to be a particularly desirable therapeutic target, as its selective inhibition in malignant cells is accompanied by fewer associated toxicities in comparison to pan‐HDAC inhibition. Therefore, optimizing HDAC6 inhibitor selectivity has the potential to yield great clinical significance. This selectivity is often conferred by designing inhibitors with bulky capping groups and a hydrophobic linker region, which make favorable interactions in the hydrophobic region of the HDAC6 active site. Many inhibitors contain a hydroxamate zinc‐binding group, which can coordinate with bidentate or monodentate geometry. In efforts to optimize HDAC6 selectivity by exploring alternative zinc‐binding groups, a unique inhibitor containing an oxadiazole ring was discovered. Surprisingly, the crystal structure of its complex with HDAC6 reveals that the oxadiazole undergoes a ring opening reaction to yield an acylhydrazide that binds with an extended conformation in the active site.

Cragin, Abigail↗

DOE OSTI2026

Single-molecule infrared spectroscopy with scanning tunneling microscopy

Probing vibrations at the single-molecule level is essential for achieving bond-specific chemical control in realistic heterogeneous environments. Here, we introduce a new measurement scheme that integrates frequency-tunable infrared excitation with scanning tunneling microscopy to characterize vibration-mediated nuclear motions of single molecules. We first validated the technique by monitoring the infrared-induced rotation of the ethynyl radical and then applied it to mapping pyrrolidine’s conformational dynamics. The resulting broadband spectra captured fundamental vibrational modes together with rich overtone and combination bands inaccessible by conventional methods, which we confirmed with isotopic substitutions. Density functional theory calculations showed that delocalized modes coupled with pyrrolidine ring puckering drive the structural transition, revealing altered selection rules compared with traditional infrared spectroscopy. Here, this new experimental platform enables molecular vibrations and transformations to be probed with atomic precision.

Liang, Kangkai [University of California, San Dieg↗

DOE OSTI2020

Lithiation of Sulfur-Graphene Compounds Using Reactive Force-Field Molecular Dynamics Simulations

We performed molecular dynamics simulations of lithium-sulfur-graphene compounds using reactive force fields, providing a time scale to observe atomistic features relevant to the microscopic behavior of the of the bulk of sulfur-based cathodes to be used beyond our present Li-ion batteries. The samples we used were set to realistic geometries through sophisticated protocols to simulate ultrafast reactions that occur within the picosecond range, thus allowing us to get some insights into the characteristics of the bulk material in working cathodes of Li–S batteries, which are mixed with carbon to increase the poor electronic conductivity of S. We report chemical speciation and geometrical data at atomistic levels. We observed that slowly lithiated cathodes were more stable and with higher density than those that were suddenly fully-lithiated. We did not observe molecular Li 2 S formation; however, we observed an amorphous solid arrangement with the same stoichiometry of Li and S, with S–Li–S angles of ~111° and smaller ones due to the interaction between polysulfides that did not reacted totally. In addition, graphene keeps its planar shape; however, S8 changes its shape from rings to chains. Lithiated structures are more stable with lower energies, and more close-packed structures than structures with Li already inserted.

25 ENERGY STORAGE↗

NASA NTRS1972

Inorganic glass ceramic slip rings

Prototypes of slip rings have been fabricated from ceramic glass, a material which is highly resistant to deterioration due to high temperature. Slip ring assemblies were not structurally damaged by mechanical tests and performed statisfactorily for 200 hours.

Glossbrenner, E. W.↗

NASA NTRS1971

Evidence for vulcanism on the moon.

Discussion of various kinds of lunar features generally agreed to be of entirely volcanic origin. Possible mechanisms of formation of lunar domes, crater chains (especially those that lie along a rill), craters surrounded by dark halos, sinuous rills, mare ?wrinkle' ridges, dark smooth level material, and ring dike-like structures through volcanic activity are suggested. The examples considered are believed to provide strong evidence and implications that considerable volcanism has occurred on the moon, has played a large part in modifying and shaping the visible surface features, and may still be mildly active at present.

Cameron, W. S.↗

NASA NTRS1973

ATS-5 observations of energetic proton injection

Energetic particle observations from ATS-5 are presented that directly show asymmetric injection of 30- to 300-keV proton fluxes into the nightside magnetosphere to form the asymmetric ring current. The temporal structure of these substorm-correlated proton bursts is consistent with a westward gradient drift from the nightside acceleration region. The drifting protons tend to be accompanied by nondiamagnetic decreases of the magnetic field at the satellite. Adiabatic decreases of the energetic electron fluxes often occur with these changes in the field strength. Nearly 200 proton-only events have been observed, occurring uniformly between 1500 and 2200 LT and not at all before 1200 LT or after 2300 LT.

Bogott, F. H.↗