Ab initio exchange interactions and magnetic properties of Gd2Fe17 iron sublattice: rhombohedral vs. hexagonal phases

In the framework of the LSDA+U method electronic structure and magnetic properties of the intermetallic compound Gd2Fe17 for both rhombohedral and hexagonal phases have been calculated. On top of that, ab initio exchange interaction parameters within the Fe sublattice for all present nearest and some next nearest Fe ions have been obtained. It was found that for the first coordination sphere direct exchange interaction is ferromagnetic. For the second coordination sphere indirect exchange interaction is observed to be weaker and of antiferromagnetic type. Employing the theoretical values of exchange parameters Curie temperatures Tc of both hexagonal and rhombohedral phases of Gd2Fe17 within Weiss mean-field theory were estimated. Obtained values of Tc and its increase going from the hexagonal to rhombohedral crystal structure of Gd2Fe17 agree well with experiment. Also for both structures LSDA+U computed values of total magnetic moment coincide with experimental ones.Comment: 20 pages, 2 figures; V2 as published in PR

Weibel instability and associated strong fields in a fully 3D simulation of a relativistic shock

Plasma instabilities (e.g., Buneman, Weibel and other two-stream instabilities) excited in collisionless shocks are responsible for particle (electron, positron, and ion) acceleration. Using a new 3-D relativistic particle-in-cell code, we have investigated the particle acceleration and shock structure associated with an unmagnetized relativistic electron-positron jet propagating into an unmagnetized electron-positron plasma. The simulation has been performed using a long simulation system in order to study the nonlinear stages of the Weibel instability, the particle acceleration mechanism, and the shock structure. Cold jet electrons are thermalized and slowed while the ambient electrons are swept up to create a partially developed hydrodynamic (HD) like shock structure. In the leading shock, electron density increases by a factor of 3.5 in the simulation frame. Strong electromagnetic fields are generated in the trailing shock and provide an emission site. We discuss the possible implication of our simulation results within the AGN and GRB context.Comment: 4 pages, 3 figures, ApJ Letters, in pres

Surface Electronic Structures and Field Emission Currents at Sodium Overlayers on Low-Index Tungsten Surfaces

The total energy distributions (TEDs) of the emission currents in field emission and surface photofield emission and the overlayer-induced modifications in the surface electronic structures from the technologically important W surfaces with the commensurate W(100)/Na c(2x2), W(110)/Na (2x2) and W(111)/Na (1x1) overlayers are calculated. The TEDs obtained by our recent numerical method that extends the full-potential linear augmented plane wave method for the electronic structures to the study of field and photofield emission are used to interpret the shifts of the peaks in the experimental TEDs in field emission and photofield emission from the W(100) and W(110) surfaces at sub-monolayer and monolayer Na coverage. Hybridization of the 3s Na states with the pairs of dz2-like surface states of the strong Swanson hump in clean W(100) and surface resonances in clean W(111) below the Fermi energy shifts these W states by about -1.2 eV and -1.0 eV, thus stabilizing these states, to yield new strong peaks in the TEDs in field emission and photofield emission from W(100)/Na c(2x2) and W(111)/Na (1x1) respectively. The effect of Na intralayer interactions are discussed and are shown to shift the strong s- and p-like peaks in the surface density of states of W(110) below and above the Fermi energy respectively to lower energy with increased Na coverage, in agreement with experiments.Comment: 12 page

Boundary Layer Self-Similar Solution for the Hot Radiative Accretion onto a Rapidly Spinning Neutron Star

We consider hot accretion onto a rapidly spinning neutron star (or any other compact object with a surface). A radiative hot settling flow has been discovered at low accretion rates in the early work by Medvedev & Narayan (2001) and analytical solution has been presented. It was shown later that this flow can match external medium smoothly, thus enforcing its physical feasibility. Here we complete the study of the global structure of such hot accretion by presenting the analytical solution for the boundary later, which forms between the bulk of the flow and the stellar surface. We confirm our results via full numerical solution of height-integrated two-temperature hydrodynamic equations.Comment: 14 pages, 1 figure. accepted for publication in Ap

Safe and complete contig assembly via omnitigs

Contig assembly is the first stage that most assemblers solve when reconstructing a genome from a set of reads. Its output consists of contigs -- a set of strings that are promised to appear in any genome that could have generated the reads. From the introduction of contigs 20 years ago, assemblers have tried to obtain longer and longer contigs, but the following question was never solved: given a genome graph $G$ (e.g. a de Bruijn, or a string graph), what are all the strings that can be safely reported from $G$ as contigs? In this paper we finally answer this question, and also give a polynomial time algorithm to find them. Our experiments show that these strings, which we call omnitigs, are 66% to 82% longer on average than the popular unitigs, and 29% of dbSNP locations have more neighbors in omnitigs than in unitigs.Comment: Full version of the paper in the proceedings of RECOMB 201

Magnetic Field Generation in Core-Sheath Jets via the Kinetic Kelvin-Helmholtz Instability

We have investigated magnetic field generation in velocity shears via the kinetic Kelvin-Helmholtz instability (kKHI) using a relativistic plasma jet core and stationary plasma sheath. Our three-dimensional particle-in-cell simulations consider plasma jet cores with Lorentz factors of 1.5, 5, and 15 for both electron-proton and electron-positron plasmas. For electron-proton plasmas we find generation of strong large-scale DC currents and magnetic fields which extend over the entire shear-surface and reach thicknesses of a few tens of electron skin depths. For electron-positron plasmas we find generation of alternating currents and magnetic fields. Jet and sheath plasmas are accelerated across the shear surface in the strong magnetic fields generated by the kKHI. The mixing of jet and sheath plasmas generates transverse structure similar to that produced by the Weibel instability.Comment: 28 pages, 12 figures, in press, ApJ, September 10, 201

Magnetic field generation in a jet-sheath plasma via the kinetic Kelvin-Helmholtz instability

We have investigated generation of magnetic fields associated with velocity shear between an unmagnetized relativistic jet and an unmagnetized sheath plasma. We have examined the strong magnetic fields generated by kinetic shear (Kelvin-Helmholtz) instabilities. Compared to the previous studies using counter-streaming performed by Alves et al. (2012), the structure of KKHI of our jet-sheath configuration is slightly different even for the global evolution of the strong transverse magnetic field. In our simulations the major components of growing modes are the electric field $E_{\rm z}$ and the magnetic field $B_{\rm y}$. After the $B_{\rm y}$ component is excited, an induced electric field $E_{\rm x}$ becomes significant. However, other field components remain small. We find that the structure and growth rate of KKHI with mass ratios $m_{\rm i}/m_{\rm e} = 1836$ and $m_{\rm i}/m_{\rm e} = 20$ are similar. In our simulations saturation in the nonlinear stage is not as clear as in counter-streaming cases. The growth rate for a mildly-relativistic jet case ($\gamma_{\rm j} = 1.5$) is larger than for a relativistic jet case ($\gamma_{\rm j} = 15$).Comment: 6 pages, 6 figures, presented at Dynamical processes in space plasmas II, Isradinamic 2012, in press, ANGEO. arXiv admin note: text overlap with arXiv:1303.256

Empirical normal intensity distribution for overtone vibrational spectra of triatomic molecules

Theoretical calculations are contributing a significantly higher proportion of data to contemporary spectroscopic databases, which have traditionally relied on experimental observations and semi-empirical models. It is now a common procedure to extend calculated line lists to include ro-vibrational transitions between all bound states of the ground electronic state up to the dissociation limit. Advanced ab initio methods are utilized to calculate the potential energy and dipole moment surfaces (PESs and DMSs), and semi-empirical PESs are then obtained by combining ab initio and experimental data. The objective is to reach high accuracy in the calculated transition intensities for all parts of spectrum, i.e. to increase the predictive power of the model. We show that in order to perform this task, one needs, in addition to the standard improvements of the PES and DMS in the spectroscopically accessible regions, to extend the ab initio calculations of the PES towards the united-atom limit along the stretching coordinates. The argument is based on the correlation between the intensities of high-overtone transitions and the repulsive potential wall that has previously been theoretically established for diatomic molecules and is empirically extended here to linear and nonlinear triatomic molecules. We generate partial line lists for water and ozone, and together with an already available line list for carbon dioxide, we derive the normal intensity distribution, which is a direct consequence of this correlation. The normal distribution is not an instrument to compute highly accurate intensities, rather it is a means to analyze the intensities computed by the traditional methods

Low heat conduction in white dwarf boundary layers?

X-ray spectra of dwarf novae in quiescence observed by Chandra and XMM-Newton provide new information on the boundary layers of their accreting white dwarfs. Comparison of observations and models allows us to extract estimates for the thermal conductivity in the accretion layer and reach conclusions on the relevant physical processes. We calculate the structure of the dense thermal boundary layer that forms under gravity and cooling at the white dwarf surface on accretion of gas from a hot tenuous ADAF-type coronal inflow. The distribution of density and temperature obtained allows us to calculate the strength and spectrum of the emitted X-ray radiation. They depend strongly on the values of thermal conductivity and mass accretion rate. We apply our model to the dwarf nova system VW Hyi and compare the spectra predicted for different values of the thermal conductivity with the observed spectrum. We find a significant deviation for all values of thermal conductivity that are a sizable fraction of the Spitzer conductivity. A good fit arises however for a conductivity of about 1% of the Spitzer value. This also seems to hold for other dwarf nova systems in quiescence. We compare this result with thermal conduction in other astrophysical situations. The highly reduced thermal conductivity in the boundary layer requires magnetic fields perpendicular to the temperature gradient. Locating their origin in the accretion of magnetic fields from the hot ADAF-type coronal flow we find that dynamical effects of these fields will lead to a spatially intermittent, localized accretion geometry at the white dwarf surface.Comment: 8 pages, 5 figs, to appear in Astronomy & Astrophysic