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At least 199 records · Page 11

Simulation of Relativistic Shocks and Associated Self-Consistent Radiation

Recent PIC simulations of relativistic electron-positron (electron-ion) jets injected into a stationary medium show that particle acceleration occurs at shocked regions. Simulations show that the Weibel instability is responsible for generating and amplifying highly nonuniform, small-scale magnetic fields and particle acceleration. These magnetic fields contribute to the electron's transverse deflection behind the shock. The "jitter" radiation from deflected electrons in turbulent magnetic fields has different properties than synchrotron radiation, which is calculated in a uniform magnetic field. This jitter radiation may be important for understanding the complex time evolution and/or spectral structure in gamma-ray bursts, relativistic jets in general, and supernova remnants. We will present detailed spectra for conditions relevant of various astrophysical sites of shock formation via the Weibel instability. In particular we will discuss the application to GRBs and SNRs.

Nishikawa, K.-I.↗

Radiation from Accelerated Particles in Shocks and Reconnections

Plasma instabilities are responsible not only for the onset and mediation of collisionless shocks but also for the associated acceleration of particles. We have investigated particle acceleration and shock structure associated with an unmagnetized relativistic electron-positron jet propagating into an unmagnetized electron-positron plasma. Cold jet electrons are thermalized and slowed while the ambient electrons are swept up to create a partially developed hydrodynamic-like shock structure. In the leading shock, electron density increases by a factor of about 3.5 in the simulation frame. Strong electromagnetic fields are generated in the trailing shock and provide an emission site. These magnetic fields contribute to the electrons transverse deflection and, more generally, relativistic acceleration behind the shock. We have calculated, self-consistently, the radiation from electrons accelerated in the turbulent magnetic fields. We found that the synthetic spectra depend on the Lorentz factor of the jet, its thermal temperature and strength of the generated magnetic fields. We are currently investigating the specific case of a jet colliding with an anti-parallel magnetized ambient medium. The properties of the radiation may be important for understanding the complex time evolution and/or spectral structure in gamma-ray bursts, relativistic jets in general, and supernova remnants.

Nishikawa, K.-I.↗

Astrobiological Journeys to and from the South Polar Sea of Enceladus - Bidirectional Interactions with the Saturn Magnetosphere

The spectacularly cryovolcanic moon Enceladus is a major source of plasma for the Saturn magnetosphere via ionization of the ejected molecular species and ice grains. Field-aligned plasma flows from the Enceladus environment visibly impact the moon's magnetic footpoint in Saturn's polar auroral region, while water group and other ions from the moon emissions diffuse radially throughout the magnetosphere and may be the dominant source of oxygen for Titan's oxygen-poor upper atmosphere. But the moon-magnetosphere interaction is bidirectional in the sense that the moon surface is globally exposed to constant irradiation by the returning magnetospheric ions and by energetic electrons from the field-aligned and radially diffusing populations. The returning ion source operates both on global scales of the magnetosphere and locally for highly reactive species produced in the ejecta plume. All of these sources likely combine to produce a highly oxidized global surface layer. Since plasma electrons and ions are cooled by interaction with neutral gas and E-ring ice grains from Enceladus, the moon emissions have a governing effect on the seed populations of energetic particles that irradiate the surface. The proposed subsurface polar sea and transient crustal overturn in the south polar region could bring the polar surface oxidants into contact with hydrocarbons and ammonia to make oxidation product gases contributing to the cryovolcanic jets, a process first proposed by Cooper et al. (Plan. Sp. Sci., 2009). As has been previously suggested for Europa, the 'oxidants could contribute to enhanced astrobiological potential of Enceladus, perhaps even higher than for Europa where organic hydrocarbons have not yet been directly detected. Unlike Europa, Enceladus shows no sign of an oxygen-dominated exosphere that could otherwise be indicative of extreme surface and interior oxidation inhibiting the detectable survival and evolution of complex organics.

Cooper, John F.↗

Radiation from Accelerated Particles in Shocks and Reconnections

Plasma instabilities are responsible not only for the onset and mediation of collisionless shocks but also for the associated acceleration of particles. We have investigated particle acceleration and shock structure associated with an unmagnetized relativistic electron-positron jet propagating into an unmagnetized electron-positron plasma. Cold jet electrons are thermalized and slowed while the ambient electrons are swept up to create a partially developed hydrodynamic-like shock structure. In the leading shock, electron density increases by a factor of about 3.5 in the simulation frame. Strong electromagnetic fields are generated in the trailing shock and provide an emission site. These magnetic fields contribute to the electrons transverse deflection and, more generally, relativistic acceleration behind the shock. We have calculated, self-consistently, the radiation from electrons accelerated in the turbulent magnetic fields. We found that the synthetic spectra depend on the Lorentz factor of the jet, its thermal temperature and strength of the generated magnetic fields. Our initial results of a jet-ambient interaction with anti-parallelmagnetic fields show pile-up of magnetic fields at the colliding shock, which may lead to reconnection and associated particle acceleration. We will investigate the radiation in a transient stage as a possible generation mechanism of precursors of prompt emission. In our simulations we calculate the radiation from electrons in the shock region. The detailed properties of this radiation are important for understanding the complex time evolution and spectral structure in gamma-ray bursts, relativistic jets, and supernova remnants.

Nishikawa, K. I.↗

Prior Flaring as a Complement to Free Magnetic Energy for Forecasting Solar Eruptions

From a large database of (1) 40,000 SOHO/MDI line-of-sight magnetograms covering the passage of 1,300 sunspot active regions across the 30 deg radius central disk of the Sun, (2) a proxy of each active region's free magnetic energy measured from each of the active region's central-disk-passage magnetograms, and (3) each active region's full-disk-passage history of production of major flares and fast coronal mass ejections (CMEs), we find new statistical evidence that (1) there are aspects of an active region's magnetic field other than the free energy that are strong determinants of the active region's productivity of major flares and fast CMEs in the coming few days, (2) an active region's recent productivity of major flares, in addition to reflecting the amount of free energy in the active region, also reflects these other determinants of coming productivity of major eruptions, and (3) consequently, the knowledge of whether an active region has recently had a major flare, used in combination with the active region's free-energy proxy measured from a magnetogram, can greatly alter the forecast chance that the active region will have a major eruption in the next few days after the time of the magnetogram. The active-region magnetic conditions that, in addition to the free energy, are reflected by recent major flaring are presumably the complexity and evolution of the field.

Falconer, David A.↗

Radiation from Accelerated Particles in Shocks and Reconnections

We have investigated particle acceleration and shock structure associated with an unmagnetized relativistic jets propagating into an unmagnetized plasmas. Strong magnetic fields generated in the trailing shock contribute to the electrons transverse deflection and acceleration. We have calculated, self-consistently, the radiation from electrons accelerated in the turbulent magnetic fields. We found that the synthetic spectra depend on the Lorentz factor of the jet, its thermal temperature and strength of the generated magnetic fields. The properties of the radiation may be important for understanding the complex time evolution and/or spectral structure in gamma-ray bursts, relativistic jets in general, and supernova remnants

Nishikawa, K.-I.↗

Radiation from Shock-Accelerated Particles

Plasma instabilities excited in collisionless shocks are responsible for particle acceleration, generation of magnetic fields , and associated radiation. We have investigated the particle acceleration and shock structure associated with an unmagnetized relativistic jet propagating into an unmagnetized plasma. Cold jet electrons are thermalized and slowed while the ambient electrons are swept up to create a partially developed hydrodynamic-like shock structure. The shock structure depends on the composition of the jet and ambient plasma (electron-positron or electron-ions). Strong electromagnetic fields are generated in the reverse , jet shock and provide an emission site. These magnetic fields contribute to the electron's transverse deflection behind the shock. We have calculated, self-consistently, the radiation from electrons accelerated in the turbulent magnetic fields. We found that the synthetic spectra depend on the Lorentz factor of the jet, its thermal temperature and strength of the generated magnetic fields. The detailed properties of the radiation are important for understanding the complex time evolution and/or spectral structure in gamma-ray bursts, relativistic jet shocks, and supernova remnants

Nishikawa, Ken-ichi↗

Thermal Analysis of Unusual Local-scale Features on the Surface of Vesta

At 525 km in mean diameter, Vesta is the second-most massive object in the main asteroid belt of our Solar System. At all scales, pyroxene absorptions are the most prominent spectral features on Vesta and overall, Vesta mineralogy indicates a complex magmatic evolution that led to a differentiated crust and mantle [1]. The thermal behavior of areas of unusual albedo seen on the surface at the local scale can be related to physical properties that can provide information about the origin of those materials. Dawn's Visible and Infrared Mapping Spectrometer (VIR) [2] hyperspectral images are routinely used, by means of temperature-retrieval algorithms, to compute surface temperatures along with spectral emissivities. Here we present temperature maps of several local-scale features of Vesta that were observed by Dawn under different illumination conditions and different local solar times.

Tosi, F.↗

Cloudless Atmospheres for L/T Dwarfs and Extrasolar Giant Planets

The admitted, conventional scenario to explain the complex spectral evolution of brown dwarfs (BDs) since their first detection 20 years ago has always been the key role played by micron-size condensates, called "dust" or "clouds," in their atmosphere. This scenario, however, faces major problems, in particular the J-band brightening and the resurgence of FeH absorption at the L to T transition, and a physical first-principle understanding of this transition is lacking. In this Letter, we propose a new, completely different explanation for BD and extrasolar giant planet (EGP) spectral evolution, without the need to invoke clouds. We show that, due to the slowness of the CO/ CH4 and N2/NH3 chemical reactions, brown dwarf (L and T, respectively) and EGP atmospheres are subject to a thermo-chemical instability similar in nature to the fingering or chemical convective instability present in Earth oceans and at the Earth core/mantle boundary. The induced small-scale turbulent energy transport reduces the temperature gradient in the atmosphere, explaining the observed increase in near-infrared J-H and J-K colors of L dwarfs and hot EGPs, while a warming up of the deep atmosphere along the L to T transition, as the CO/CH4 instability vanishes, naturally solves the two aforementioned puzzles, and provides a physical explanation of the L to T transition. This new picture leads to a drastic revision of our understanding of BD and EGP atmospheres and their evolution.

Brown dwarf stars↗

Adaptive, Model-Driven Observation for Earth Science

In this article we introduce a preliminary effort to apply an adaptive and model-driven sensing framework to the study of large scale storms. Such systems pose great challenges as studying complex, fast developing Earth science phenomena such as hurricanes have significant spatial extent and complex temporal evolution making comprehensive sensing of the entire phenomena prohibitive. We use adaptive sensing to direct sensing in an autonomous and intelligent cycle. We show how online analysis would increase the knowledge of the event and decrease uncertainty in predictions.

Swope, J.↗

Revisiting the petrogenesis of pyroclastic glass bead deposits at the Apollo 15 and 17 sites

The Apollo 15 low-titanium and Apollo 17 high-titanium pyroclastic glass beads are amongst the most primitive magmatically derived samples obtained from the Moon. Two key samples, the low-Ti Apollo 15426 green glass clod and the high-Ti Apollo 74220 orange glass are morphologically distinct, where the Apollo 15 beads are larger (~ 107 μm along maximum axis) and more fractured, and the Apollo 17 are smaller (~42 μm) and less fractured. In this study, holohyaline beads as well as crystallized beads were examined from both samples. Crystallized beads show compositional variability in major, minor, and trace elements and enable examination of magmatic mineral fractionation processes during cooling of both deposits. The Apollo 15426 beads experienced variable olivine crystallization, whereas the Apollo 74220 beads experienced both olivine and ilmenite crystallization. Holohyaline beads from both deposits show more limited major, minor, and trace element variability than their crystallized counterparts. Trace element abundance data for individual holohyaline beads show that in Apollo 74220, they are tightly clustered at ~30 × Carbonaceous Ivuna chondrite [CI] with negative Eu anomalies and subchondritic Nb/Ta, and interpreted to reflect the presence of late-stage magma ocean cumulate overturned into an otherwise primitive mantle source. Incompatible trace element abundances for holohyaline beads in 15426 are supra-chondritic from ~8 × CI, to >80 × CI, with pronounced relative depletions in Sr and Eu for the most incompatible element enriched beads, which represent a distinct bead group within the deposit. Apollo 15426 beads have elevated Ni and Co abundances at the edges of the beads compared to their centers. These data are interpreted to reflect a more complex magmatic evolution of the 15426 deposit, beginning with: (i) initial magma generation, storage and assimilation within shallower low-Ca and high-Ca pyroxene bearing magma ocean cumulates (15B,C); (ii) mobilization of the earlier magmas by more recently generated primitive magmas (15A); (iii) eruption and crystallization of some beads (15D,E), and (iv) later jumbling of the deposit, possible impact contamination and addition of exotic bead components (J Group). In contrast, the 74220 data shows no discernable difference between Ni and Co abundances at the edges and centers supporting prior observations for limited melt fractionation and an absence of meteoritic components. It is further suggested that both deposits are likely to have been formed in the presence of a transient atmosphere. Using 74220 melt compositions from this study, post-entrapment crystallization abundances range from 266 to 1130 micrograms/g for H 2 O, 36 to 68 micrograms/g for F, 441 to 832 micrograms/g for S, and zero to 2.31 micrograms/g for Cl, consistent with prior studies and suggesting up to ~0.1 wt.% H 2 O in the melt, with considerably less in the source. The role that late-stage magma ocean cumulates rich in ilmenite, apatite and high-Ca pyroxene might play in modifying this volatile element estimate, however, casts remaining doubt on the volatile element abundance and evolution of the primitive Moon.

Moon↗

Hydrogen Evolution Mediated by Cobalt Diimine‐Dioxime Complexes: Insights into the Role of the Ligand Acid/Base Functionalities.

Abstract The benchmarking of the performance for H 2 evolution of cobalt diimine‐dioxime catalysts is provided based on a comprehensive study of their catalytic mechanism. The latter follows an ECE'CC pathway with intermediate formation of a Co(II)‐hydride intermediate and second protonation possibly at a basic site of the ligand, acting as a proton relay. This suggests an intramolecular coupling between the hydride and protonated ligand as the proton concentration‐independent rate‐determining step controlling the turnover frequency for H 2 evolution.

Sun, Dongyue↗

Microstructure and CPO evolution of dynamically recrystallized olivine during complex deformation conditions: a full-field numerical modeling approach

The rheological properties of mantle rocks are strongly dependent on their crystallographic preferred orientation (CPO). Olivine CPO, defined by the orientation of seismically fast [100] axes parallel to flow direction, is also thought to be a dominant contributor to seismic anisotropy in the Earth's upper mantle. However, the amount of deformation needed to overprint a new CPO on a pre-existing fabric and the impact of the inherited CPOs on the transient microstructure evolution, remain unknown. This study employs a full-field numerical approach (VPFFT-ELLE) to explore the dynamic recrystallization and microstructural evolution of olivine polycrystalline aggregates under complex deformation conditions. We test four combinations of successive pure shear and simple shear boundary conditions. Findings indicate that inherited CPOs influence subsequent deformation in a manner dependent on the kinematic relationship between successive stages. In all cases, a minor strain increment (ε ∼0.3–0.6) is sufficient to erase the previous microstructure and CPO. However, when deformation conditions change dramatically (e.g., stretching direction changes orthogonally), the intensity of the new CPO developed is significantly lower and strain distribution are specially altered. During a transient strain stage, pre-existing microstructures undergo extensive reworking, especially when deformation conditions are changed dramatically, such as switching from simple shear to a pure shear condition with a parallel shortening direction relative to the stretching direction. We estimate the significance of these results in interpreting observations of seismic velocity anisotropy, concluding that P-wave seismic anisotropy is significantly and positively correlated with the evolution of olivine CPO with deformation history. This research underscores the transient nature of microstructural rearrangement in olivine aggregates and the necessity for caution in interpreting seismic anisotropy in regions with complex deformation histories, as inherited CPOs can influence current fabric development and induce deviation to the present deformation conditions.

36 MATERIALS SCIENCE↗

Hybrid quantum-classical approach for coupled-cluster Green's function theory

The three key elements of a quantum simulation are state preparation, time evolution, and measurement. While the complexity scaling of time evolution and measurements are well known, many state preparation methods are strongly system-dependent and require prior knowledge of the system's eigenvalue spectrum. Here, we report on a quantum-classical implementation of the coupled-cluster Green's function (CCGF) method, which replaces explicit ground state preparation with the task of applying unitary operators to a simple product state. While our approach is broadly applicable to many models, we demonstrate it here for the Anderson impurity model (AIM). The method requires a number of T gates that grows as O ( N 5 ) per time step to calculate the impurity Green's function in the time domain, where N is the total number of energy levels in the AIM. Since the number of T gates is analogous to the computational time complexity of a classical simulation, we achieve an order of magnitude improvement over a classical CCGF calculation of the same order, which requires O ( N 6 ) computational resources per time step.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Theoretical Modeling and Computer Simulations for the Origins and Evolution of Reproducing Molecular Systems and Complex Systems with Many Interactive Parts

Our research effort has produced nine publications in peer-reviewed journals listed at the end of this report. The work reported here are in the following areas: (1) genetic network modeling; (2) autocatalytic model of pre-biotic evolution; (3) theoretical and computational studies of strongly correlated electron systems; (4) reducing thermal oscillations in atomic force microscope; (5) transcription termination mechanism in prokaryotic cells; and (6) the low glutamine usage in thennophiles obtained by studying completely sequenced genomes. We discuss the main accomplishments of these publications.

Liang, Shoudan↗

Evolution of heliobacteria: implications for photosynthetic reaction center complexes

The evolutionary position of the heliobacteria, a group of green photosynthetic bacteria with a photosynthetic apparatus functionally resembling Photosystem I of plants and cyanobacteria, has been investigated with respect to the evolutionary relationship to Gram-positive bacteria and cyanobacteria. On the basis of 16S rRNA sequence analysis, the heliobacteria appear to be most closely related to Gram-positive bacteria, but also an evolutionary link to cyanobacteria is evident. Interestingly, a 46-residue domain including the putative sixth membrane-spanning region of the heliobacterial reaction center protein show rather strong similarity (33% identity and 72% similarity) to a region including the sixth membrane-spanning region of the CP47 protein, a chlorophyll-binding core antenna polypeptide of Photosystem II. The N-terminal half of the heliobacterial reaction center polypeptide shows a moderate sequence similarity (22% identity over 232 residues) with the CP47 protein, which is significantly more than the similarity with the Photosystem I core polypeptides in this region. An evolutionary model for photosynthetic reaction center complexes is discussed, in which an ancestral homodimeric reaction center protein (possibly resembling the heliobacterial reaction center protein) with 11 membrane-spanning regions per polypeptide has diverged to give rise to the core of Photosystem I, Photosystem II, and of the photosynthetic apparatus in green, purple, and heliobacteria.

NASA Program Exobiology↗

Coordination-Induced N–H Bond Weakening in a Molybdenum Pyrrolidine Complex: Isotopic Labeling Provides Insight into the Pathway for H 2 Evolution

The synthesis and characterization of a cationic molybdenum pyrrolidine complex is described that exhibits significant coordination-induced N–H bond weakening. Here, the N–H bond dissociation free energy (BDFE) of the coordinated pyrrolidine in [( Ph Tpy)(PPh 2 Me) 2 Mo(NH(pyrr))][BArF 24 ] ([1-NH(pyrr)] + ; PhTpy = 4'-Ph-2,2',6',2''-terpyridine, NH(pyrr) = pyrrolidine, ArF 24 = [C 6 H 3 -3,5-(CF 3 ) 2 ] 4 ) was determined to be between 41–51 kcal mol -1 by thermochemical analysis and supported by a density functional theory (DFT) computed value of 48 kcal mol -1 . The complex [1-NH(pyrr)] + underwent proton-coupled electron transfer (PCET) to 2,4,6-tri-tert-butylphenoxyl radical, as well as spontaneous H 2 evolution upon gentle heating to furnish the corresponding molybdenum pyrrolidide complex, [( Ph Tpy)(PPh 2 Me) 2 Mo(N(pyrr))][BArF 24 ] ([1-N(pyrr)] + ). Thermolysis of the deuterated isotopolog, [1-ND(pyrr)] + still produced H 2 with concomitant incorporation of the isotopic label into the pyrrolidide ligand in the product [(1-N(pyrr-d n )] + (n = 0–2), consistent with an H 2 evolution pathway involving intramolecular H–H bond formation followed by an intermolecular product-forming PCET step. These observations provide context for understanding H 2 evolution in the nonclassical ammine complex [( Ph Tpy)(PPh 2 Me) 2 Mo(NH 3 )][BArF 24 ] ([1-NH 3 ] + ) and are supported by DFT-computed reaction thermochemistry. Overall, these studies offer rare insight into the H 2 formation pathway in nonclassical amine complexes with N–H BDFEs below the thermodynamic threshold for H 2 evolution and inform the development of well-defined, thermody-namically potent PCET reagents.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗