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At least 883 records · Page 49

A Unified Mechanism on the Formation of Acenes, Helicenes, and Phenacenes in the Gas Phase

Abstract A unified low‐temperature reaction mechanism on the formation of acenes, phenacenes, and helicenes—polycyclic aromatic hydrocarbons (PAHs) that are distinct via the linear, zigzag, and ortho ‐condensed arrangements of fused benzene rings—is revealed. This mechanism is mediated through a barrierless, vinylacetylene mediated gas‐phase chemistry utilizing tetracene, [4]phenacene, and [4]helicene as benchmarks contesting established ideas that molecular mass growth processes to PAHs transpire at elevated temperatures. This mechanism opens up an isomer‐selective route to aromatic structures involving submerged reaction barriers, resonantly stabilized free‐radical intermediates, and systematic ring annulation potentially yielding molecular wires along with racemic mixtures of helicenes in deep space. Connecting helicene templates to the Origins of Life ultimately changes our hypothesis on interstellar carbon chemistry.

Zhao, Long↗

A Unified Mechanism on the Formation of Acenes, Helicenes, and Phenacenes in the Gas Phase

A unified low-temperature reaction mechanism on the formation of acenes, phenacenes, and helicenes—polycyclic aromatic hydrocarbons (PAHs) that are distinct via the linear, zigzag, and ortho-condensed arrangements of fused benzene rings—is illustrated. This mechanism is mediated through a barrierless, vinylacetylene mediated gas-phase chemistry utilizing tetracene, [4]phenacene, and [4]helicene as benchmarks contesting established ideas that molecular mass growth processes to PAHs transpire at elevated temperatures. This mechanism opens up an isomer-selective route to aromatic structures involving submerged reaction barriers, resonantly stabilized free-radical intermediates, and systematic ring annulation potentially yielding molecular wires along with racemic mixtures of helicenes in deep space. Thus, connecting helicene templates to the Origins of Life ultimately changes our hypothesis on interstellar carbon chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Portable SHMEMCache: A High-Performance Key-Value Store on OpenSHMEM and MPI

The integration of Big Data frameworks and HPC capabilities has drawn enormous interests in recent years. SHMEMCache is a distributed key-value store built on the OpenSHMEM global address space. It has solved several practical issues in leveraging OpenSHMEM’s one-sided operations for a distributed key-value store and providing efficient key-value operations on both commodity machines and supercomputers. However, being based solely on OpenSHMEM, SHMEMCache cannot leverage one-sided operations from a variety of software packages. This results in several limitations for SHMEMCache. First, we cannot make SHMEMCache available to a wider range of platforms. Second, an opportunity for potential performance improvement is missed. Third, there is a lack of deep understanding about how different one-sided operations can fit in with SHMEMCache and other distributed key-values in general. For example, the one-sided operations in OpenSHMEM and MPI have many differences in their interfaces, memory semantics and synchronization methods, all of which can have distinct implications and also increase the complexity in supporting both OpenSHMEM and MPI for SHMEMCache. Therefore, we have taken on an effort on leveraging different one-sided operations for SHMEMCache and proposed a design of portable SHMEMCache. Based on this new framework, we have supported both OpenSHMEM and MPI for SHMEMCache. We have also conducted an extensive set of experiments to compare the performance of the two versions on both commodity machines and the Titan supercomputer.

Computer Science↗

Fayalite Dissolution and Siderite Formation in Water-Saturated Supercritical CO2

Olivines, a significant constituent of basaltic rocks, have the potential to immobilize permanently CO2 after it is injected in the deep subsurface, due to carbonation reactions occurring between CO2 and the host rock. To investigate the reactions of fayalitic olivine with supercritical CO2 (scCO2) and formation of mineral carbonates, experiments were conducted at temperatures of 35 °C to 80 °C, 90 atm pressure and anoxic conditions. For every temperature, the dissolution of fayalite was examined both in the presence of liquid water and H2O-saturated scCO2. The experiments were conducted in a high pressure batch reactor at reaction time extending up to 85 days. The newly formed products were characterized using a comprehensive suite of bulk and surface characterization techniques X-ray diffraction, Transmission/Emission Mössbauer Spectroscopy, Scanning Electron Microscopy coupled with Focused Ion Beam, and High Resolution Transmission Electron Microscopy. Siderite with rhombohedral morphology was formed at 35 °C, 50 °C, and 80 °C in the presence of liquid water and scCO2. In H2O-saturated scCO2, the formation of siderite was confirmed only at high temperature (80 °C). Characterization of reacted samples in H2O-saturated scCO2 with high resolution TEM indicated that siderite formation initiated inside voids created during the initial steps of fayalite dissolution. Later stages of fayalite dissolution result in the formation of siderite in layered vertical structures, columns or pyramids with a rhombus base morphology.

Environmental Molecular Sciences Laboratory↗

Insights from a coupled thermo-hydro-mechanical analysis of a layered high-temperature thermal energy storage reservoir

Coupled thermal-hydraulic-mechanical (THM) modeling is applied to investigate the performance of a seasonal high-temperature aquifer thermal energy storage operation based on data and conditions from current site investigations at the Geostorage Forsthaus pilot project in Bern (Switzerland). The model includes subhorizontal sand lenses of various lengths and dips that are embedded in a low permeability clay matrix. Thermal energy storage is simulated by seasonal injection and withdrawal of hot (up to 90 °C) water from a main well, with reservoir pressure regulated by two auxiliary wells at a distance of about 70 m from the main well. The results show how targeted injection into deeper permeable storage formations, along with active deep well pressure control, can effectively minimize geomechanical impact and the potential risk of damaging subsurface storage and sealing formations, or even surface facilities. With such pressure control, the subsurface mechanical responses are dominated by thermal strain and stress, which can be monitored with subsurface fiber optics. The study demonstrates how coupled THM modeling can be applied for the design of a safe and efficient thermal energy storage operation, and how subsurface fiber optic monitoring can be applied for performance confirmation, allowing for more confident operational forecasting.

Rutqvist, Jonny↗

Evaluation of the accuracy of an offline seasonally-varying matrix transport model for simulating ideal age

Newton-Krylov solvers for ocean tracers have the potential to greatly decrease the computational costs of spinning up deep-ocean tracers, which can take several thousand model years to reach equilibrium with surface processes. One version of the algorithm uses offline tracer transport matrices to simulate an annual cycle of tracer concentrations and applies Newton’s method to find concentrations that are periodic in time. Here we present the impact of time-averaging the transport matrices on the equilibrium values of an ideal-age tracer. We compared annually-averaged, monthly-averaged, and 5-day-averaged transport matrices to an online simulation using the ocean component of the Community Earth System Model (CESM) with a nominal horizontal resolution of 1° × 1° and 60 vertical levels. We found that increasing the time resolution of the offline transport model reduced a low age bias from 12% for the annually-averaged transport matrices, to 4% for the monthly-averaged transport matrices, and to less than 2% for the transport matrices constructed from 5-day averages. The largest differences were in areas with strong seasonal changes in the circulation, such as the Northern Indian Ocean. As a result, for many applications the relatively small bias obtained using the offline model makes the offline approach attractive because it uses significantly less computer resources and is simpler to set up and run.

54 ENVIRONMENTAL SCIENCES↗

Percolation mechanism through trapping/de-trapping process at defect states for resistive switching devices with structure of Ag/Si{sub x}C{sub 1−x}/p-Si

Pure Si{sub x}C{sub 1−x} (x > 0.5) and B-containing Si{sub x}C{sub 1−x} (x > 0.5) based resistive switching devices (RSD) with the structure of Ag/Si{sub x}C{sub 1−x}/p-Si were fabricated and their switching characteristics and mechanism were investigated systematically. Percolation mechanism through trapping/ de-trapping at defect states was suggested for the switching process. Through the introduction of B atoms into Si{sub x}C{sub 1−x}, the density of defect states was reduced, then, the SET and RESET voltages were also decreased. Based on the percolation theory, the dependence of SET/RESET voltage on the density of defect states was analyzed. These results supply a deep understanding for the SiC-based RSD, which have a potential application in extreme ambient conditions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Drainage enhances modern soil carbon contribution but reduces old soil carbon contribution to ecosystem respiration in tundra ecosystems

Abstract Warming temperatures are likely to accelerate permafrost thaw in the Arctic, potentially leading to the release of old carbon previously stored in deep frozen soil layers. Deeper thaw depths in combination with geomorphological changes due to the loss of ice structures in permafrost, may modify soil water distribution, creating wetter or drier soil conditions. Previous studies revealed higher ecosystem respiration rates under drier conditions, and this study investigated the cause of the increased ecosystem respiration rates using radiocarbon signatures of respired CO 2 from two drying manipulation experiments: one in moist and the other in wet tundra. We demonstrate that higher contributions of CO 2 from shallow soil layers (0–15 cm; modern soil carbon) drive the increased ecosystem respiration rates, while contributions from deeper soil (below 15 cm from surface and down to the permafrost table; old soil carbon) decreased. These changes can be attributed to more aerobic conditions in shallow soil layers, but also the soil temperature increases in shallow layers but decreases in deep layers, due to the altered thermal properties of organic soils. Decreased abundance of aerenchymatous plant species following drainage in wet tundra reduced old carbon release but increased aboveground plant biomass elevated contributions of autotrophic respiration to ecosystem respiration. The results of this study suggest that drier soils following drainage may accelerate decomposition of modern soil carbon in shallow layers but slow down decomposition of old soil carbon in deep layers, which may offset some of the old soil carbon loss from thawing permafrost.

Kwon, Min Jung↗

Inhibition of MALT1 and BCL2 Induces Synergistic Antitumor Activity in Models of B-Cell Lymphoma

The activated B cell (ABC) subset of diffuse large B-cell lymphoma (DLBCL) is characterized by chronic B-cell receptor signaling and associated with poor outcomes when treated with standard therapy. In ABC-DLBCL, MALT1 is a core enzyme that is constitutively activated by stimulation of the B-cell receptor or gain-of-function mutations in upstream components of the signaling pathway, making it an attractive therapeutic target. We discovered a novel small-molecule inhibitor, ABBV-MALT1, that potently shuts down B-cell signaling selectively in ABC-DLBCL preclinical models leading to potent cell growth and xenograft inhibition. We also identified a rational combination partner for ABBV-MALT1 in the BCL2 inhibitor, venetoclax, which when combined significantly synergizes to elicit deep and durable responses in preclinical models. This work highlights the potential of ABBV-MALT1 monotherapy and combination with venetoclax as effective treatment options for patients with ABC-DLBCL.

59 BASIC BIOLOGICAL SCIENCES↗

The Large Enriched Germanium Experiment for Neutrinoless ββ Decay (LEGEND-1000 Preconceptual Design Report)

We propose the construction of LEGEND-1000, the ton-scale Large Enriched Germanium Experiment for Neutrinoless ββ Decay. This experiment is an international project designed to answer one of the highest priority questions in fundamental physics. It consists of 1000 kg of Ge detectors enriched to more than 90% in the 76 Ge isotope of interest operated in a liquid argon active shield at a deep underground lab. The experiment is designed to achieve a discovery potential that covers the inverted-ordering neutrino mass scale region. The baseline design assumes installation in the SNOLAB cryopit. A similar experimental setup could also be realized at the LNGS alternative site.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

On the Origin of SN 2016hil—A Type II Supernova in the Remote Outskirts of an Elliptical Host

Type II supernovae (SNe) stem from the core collapse of massive ($>8\ M_{\odot}$) stars. Owing to their short lifespan, we expect a very low rate of such events in elliptical host galaxies, where the star-formation rate is low, and which mostly consist of an old stellar population. SN 2016hil (iPTF16hil) is a Type II supernova located in the extreme outskirts of an elliptical galaxy at redshift $z=0.0608$ (projected distance $27.2$ kpc). It was detected near peak brightness ($M_{r} \approx -17$ mag) 9 days after the last nondetection. SN 2016hil has some potentially peculiar properties: while presenting a characteristic spectrum, the event was unusually short lived and declined by $\sim 1.5$ mag in $< 40$ days, following an apparently double-peaked light curve. Its spectra suggest a low metallicity ($Z<0.4\ Z_{\odot}$). We place a tentative upper limit on the mass of a potential faint host at $\log(M/M_{\odot}) =7.27^{+0.43}_{-0.24}$ using deep Keck optical imaging. In light of this, we discuss the possibility of the progenitor forming locally, and other more exotic formation scenarios such as a merger or common-envelope evolution causing a time-delayed explosion. Further observations of the explosion site in the ultraviolet are needed in order to distinguish between the cases. Regardless of the origin of the transient, observing a population of such seemingly hostless Type II SNe could have many uses, including an estimate the number of faint galaxies in a given volume, and tests of the prediction of a time-delayed population of core-collapse SNe in locations otherwise unfavorable for the detection of such events.

79 ASTRONOMY AND ASTROPHYSICS↗

The DES Bright Arcs Survey: Hundreds of Candidate Strongly Lensed Galaxy Systems from the Dark Energy Survey Science Verification and Year 1 Observations

We report the results of searches for strong gravitational lens systems in the Dark Energy Survey (DES) Science Verification and Year 1 observations. The Science Verification data span approximately 250 sq. deg. with a median i -band limiting magnitude for extended objects (10 σ ) of 23.0. The Year 1 data span approximately 2000 sq. deg. and have an i -band limiting magnitude for extended objects (10 σ ) of 22.9. As these data sets are both wide and deep, they are particularly useful for identifying strong gravitational lens candidates. Potential strong gravitational lens candidate systems were initially identified based on a color and magnitude selection in the DES object catalogs or because the system is at the location of a previously identified galaxy cluster. Cutout images of potential candidates were then visually scanned using an object viewer and numerically ranked according to whether or not we judged them to be likely strong gravitational lens systems. Having scanned nearly 400,000 cutouts, we present 374 candidate strong lens systems, of which 348 are identified for the first time. We provide the R.A. and decl., the magnitudes and photometric properties of the lens and source objects, and the distance (radius) of the source(s) from the lens center for each system.

79 ASTRONOMY AND ASTROPHYSICS↗

Preliminary feasibility assessment for Earth-to-space electromagnetic (Railgun) launchers

An Earth to space electromagnetic (railgun) launcher (ESRL) for launching material into space was studied. Potential ESRL applications were identified and initially assessed to formulate preliminary system requirements. The potential applications included nuclear waste disposal in space, Earth orbital applications, deep space probe launchers, atmospheric research, and boost of chemical rockets. The ESRL system concept consisted of two separate railgun launcher tubes (one at 20 deg from the horizontal for Earth orbital missions, the other vertical for solar system escape disposal missions) powered by a common power plant. Each 2040 m launcher tube is surrounded by 10,200 homopolar generator/inductor units to transmit the power to the walls. Projectile masses are 6500 kg for Earth orbital missions and 2055 kg for nuclear waste disposal missions. For the Earth orbital missions, the projectile requires a propulsion system, leaving an estimated payload mass of 650 kg. For the nuclear waste disposal in space mission, the high level waste mass was estimated at 250 kg. This preliminary assessment included technical, environmental, and economic analyses.

Rice, E. E.↗

Temporal patterns of phytoplankton abundance in the North Atlantic

A time series of CZCS images is being developed to study phytoplankton distribution patterns in the North Atlantic. The goal of this study is to observe temporal variability in phytoplankton pigments and other organic particulates, and to infer from these patterns the potential flux of biogenic materials from the euphotic layer to the deep ocean. Early results of this project are presented in this paper. Specifically, the satellite data used were 13 monthly composited images of CZCS data for the North Atlantic from January 1979 to January 1980. Results are presented for seasonal patterns along the 20 deg W meridian.

Campbell, Janet W.↗

NASA SETI microwave observing project: Sky Survey element

The SETI Sky Survey Observing Program is one of two complimentary strategies that NASA plans to use in its microwave Search for Extraterrestrial Intelligence (SETI). The primary objective of the sky survey is to search the entire sky over the frequency range of 1.0 to 10.0 GHz for evidence of narrow band signals of extraterrestrial intelligent origin. Frequency resolutions of 30 Hz or narrower will be used across the entire band. Spectrum analyzers with upwards of ten million channels are required to keep the survey time approximately 6 years. Data rates in excess of 10 megabits per second will be generated in the data taking process. Sophisticated data processing techniques will be required to determine the ever changing receiver baselines, and to detect and archive potential SETI signals. Existing radio telescopes, including several of NASA's Deep Space Network (DSN) 34 meter antennas located at Goldstone, CA and Tidbinbilla, Australia will be used for the observations. The JPL has the primary responsibility to develop and carry out the sky survey. In order to lay the foundation for the full scale SETI Sky Survey, a prototype system is being developed at the JPL. The system will be installed at the new 34-m high efficiency antenna at the Deep Space Station (DSS) 13 research and development station, Goldstone, CA, where it will be used to initiate the observational phase of the NASA SETI Sky Survey. It is anticipated that the early observations will be useful to test signal detection algorithms, scan strategies, and radio frequency interference rejection schemes. The SETI specific elements of the prototype system are: (1) the Wide Band Spectrum Analyzer (WBSA); a 2-million channel fast Fourier transformation (FFT) spectrum analyzer which covers an instantaneous bandpass of 40 MHz; (2) the signal detection processor; and (3) the SETI Sky Survey Manager, a network-based C-language environment that provides observatory control, performs data acquisition and analysis algorithms. A high level description of the prototype hardware and software systems will be given and the current status of the system development will be reported.

Klein, M. J.↗

Potential approaches to the spectroscopic characterization of high performance polymers exposed to energetic protons and heavy ions

A potential limitation to human activity on the lunar surface or in deep space is the exposure of the crew to unacceptably high levels of penetrating space radiations. The radiations of most concerns for such missions are high-energy protons emitted during solar flares, and galactic cosmic rays which are high-energy ions ranging from protons to iron. The development of materials for effective shielding from energetic space radiations will clearly require a greater understanding of the underlying mechanisms of radiation-induced damage in bulk materials. This can be accomplished in part by the detailed spectroscopic characterization of bulk materials that were exposed to simulated space radiations. An experimental data base thus created can then be used in conjunction with existing radiation transport codes in the design and fabrication of effective radiation shielding materials. Electron Paramagnetic Resonance Spectroscopy was proven very useful in elucidating radiation effects in polymers (high performance polymers are often an important components of structural composites).

Suleman, Naushadalli K.↗

A CCD search for distant satellites of asteroids 3 Juno and 146 Lucina

The results of CCD searches for satellites of asteroids 146 Lucina and 3 Juno are reported. Juno is one of the largest asteroids (D = 244 km); no previous deep imaging search for satellites around it has been reported. A potential occultation detection of a small satellite orbiting 146 Lucina (D = 137 km) km was reported by Arlot et al. (1985), but has not been confirmed. Using the 2.1 m reflector at McDonald Observatory in 1990 and 1991 with a CCD camera equipped with a 2.7 arc-sec radius occulting disk, limiting magnitudes of m(sub R) = 19.5 and m(sub R) = 21.4 were achieved around these two asteroids. This corresponds to objects of 1.6 km radius at Juno's albedo and distance, and 0.6 km radius at Lucina's albedo and distance. No satellite detections were made. Unless satellites were located behind our occultation mask, these two asteroids do not have satellites larger than the radii given above.

Stern, S. Alan↗

The national geomagnetic initiative

The Earth's magnetic field, through its variability over a spectrum of spatial and temporal scales, contains fundamental information on the solid Earth and geospace environment (the latter comprising the atmosphere, ionosphere, and magnetosphere). Integrated studies of the geomagnetic field have the potential to address a wide range of important processes in the deep mantle and core, asthenosphere, lithosphere, oceans, and the solar-terrestrial environment. These studies have direct applications to important societal problems, including resource assessment and exploration, natural hazard mitigation, safe navigation, and the maintenance and survivability of communications and power systems on the ground and in space. Studies of the Earth's magnetic field are supported by a variety of federal and state agencies as well as by private industry. Both basic and applied research is presently supported by several federal agencies, including the National Science Foundation (NSF), U.S. Geological Survey (USGS), U.S. Department of Energy (DOE), National Oceanic and Atmospheric Administration (NOAA), National Aeronautics and Space Administration (NASA), and U.S. Department of Defense (DOD) (through the Navy, Air Force, and Defense Mapping Agency). Although each agency has a unique, well-defined mission in geomagnetic studies, many areas of interest overlap. For example, NASA, the Navy, and USGS collaborate closely in the development of main field reference models. NASA, NSF, and the Air Force collaborate in space physics. These interagency linkages need to be strengthened. Over the past decade, new opportunities for fundamental advances in geomagnetic research have emerged as a result of three factors: well-posed, first-order scientific questions; increased interrelation of research activities dealing with geomagnetic phenomena; and recent developments in technology. These new opportunities can be exploited through a national geomagnetic initiative to define objectives and encourage coordination of efforts among federal and state agencies, academic institutions, and industry to systematically characterize the spatial and temporal behavior of the Earth's magnetic field on local, regional, and global scales in order to understand the physical processes in the solid earth and geospace environment, and to apply this understanding to a variety of scientific problems and to technical and societal needs.

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