The Sigma 13 (10-14) twin in alpha-Al2O3: A model for a general grain boundary

The atomistic structure and energetics of the Sigma 13 (10-14)[1-210] symmetrical tilt grain boundary in alpha-Al2O3 are studied by first-principles calculations based on the local-density-functional theory with a mixed-basis pseudopotential method. Three configurations, stable with respect to intergranular cleavage, are identified: one Al-terminated glide-mirror twin boundary, and two O-terminated twin boundaries, with glide-mirror and two-fold screw-rotation symmetries, respectively. Their relative energetics as a function of axial grain separation are described, and the local electronic structure and bonding are analysed. The Al-terminated variant is predicted to be the most stable one, confirming previous empirical calculations, but in contrast with high-resolution transmission electron microscopy observations on high-purity diffusion-bonded bicrystals, which resulted in an O-terminated structure. An explanation of this discrepancy is proposed, based on the different relative energetics of the internal interfaces with respect to the free surfaces

Communication Complexity of Quasirandom Rumor Spreading

We consider rumor spreading on random graphs and hypercubes in the quasirandom phone call model. In this model, every node has a list of neighbors whose order is specified by an adversary. In step i every node opens a channel to its ith neighbor (modulo degree) on that list, beginning from a randomly chosen starting position. Then, the channels can be used for bi-directional communication in that step. The goal is to spread a message efficiently to all nodes of the graph.For random graphs (with sufficiently many edges) we present an address-oblivious algorithm with runtime O(logn) that uses at most O(nloglogn) message transmissions. For hypercubes of dimension logn we present an address-oblivious algorithm with runtime O(logn) that uses at most O(n(loglogn)2) message transmissions.Together with a result of Elsässer (Proc. of SPAA’06, pp. 148–157, 2006), our results imply that for random graphs the communication complexity of the quasirandom phone call model is significantly smaller than that of the standard phone call model

Atomic resolution mapping of localized phonon modes at grain boundaries

Phonon scattering at grain boundaries (GBs) is significant in controlling nanoscale device thermal conductivity. However, GBs could also act as waveguides for selected modes. To measure localized GB phonon modes, meV energy resolution is needed with sub-nm spatial resolution. Using monochromated electron energy loss spectroscopy (EELS) in the scanning transmission electron microscope (STEM) we have mapped the 60 meV optic mode across GBs in silicon at atomic resolution and compared it to calculated phonon densities of states (DOS). The intensity is strongly reduced at GBs characterised by the presence of five- and seven-fold rings where bond angles differ from the bulk. The excellent agreement between theory and experiment strongly supports the existence of localized phonon modes and thus of GBs acting as waveguides

Particle scattering in turbulent plasmas with amplified wave modes

High-energy particles stream during coronal mass ejections or flares through the plasma of the solar wind. This causes instabilities, which lead to wave growth at specific resonant wave numbers, especially within shock regions. These amplified wave modes influence the turbulent scattering process significantly. In this paper, results of particle transport and scattering in turbulent plasmas with excited wave modes are presented. The method used is a hybrid simulation code, which treats the heliospheric turbulence by an incompressible magnetohydrodynamic approach separately from a kinetic particle description. Furthermore, a semi-analytical model using quasilinear theory (QLT) is compared to the numerical results. This paper aims at a more fundamental understanding and interpretation of the pitch-angle scattering coefficients. Our calculations show a good agreement of particle simulations and the QLT for broad-band turbulent spectra; for higher turbulence levels and particle beam driven plasmas, the QLT approximation gets worse. Especially the resonance gap at μ = 0 poses a well-known problem for QLT for steep turbulence spectra, whereas test-particle computations show no problems for the particles to scatter across this region. The reason is that the sharp resonant wave-particle interactions in QLT are an oversimplification of the broader resonances in test-particle calculations, which result from nonlinear effects not included in the QLT. We emphasise the importance of these results for both numerical simulations and analytical particle transport approaches, especially the validity of the QLT. Appendices A-D are available in electronic form at http://www.aanda.or

Electronic structure and total energy of interstitial hydrogen in iron: Tight binding models

An application of the tight binding approximation is presented for the description of electronic structure and interatomic force in magnetic iron, both pure and containing hydrogen impurities. We assess the simple canonical d-band description in comparison to a non orthogonal model including s and d bands. The transferability of our models is tested against known properties including the segregation energies of hydrogen to vacancies and to surfaces of iron. In many cases agreement is remarkably good, opening up the way to quantum mechanical atomistic simulation of the effects of hydrogen on mechanical properties

The role of nuclear reactions in Monte Carlo calculations of absorbed and biological effective dose distributions in hadron therapy

Monte Carlo codes are rapidly spreading among hadron therapy community due to their sophisticated nuclear/electromagnetic models which allow an improved description of the complex mixed radiation field produced by nuclear reactions in therapeutic irradiation. In this contribution results obtained with the Monte Carlo code FLUKA are presented focusing on the production of secondary fragments in carbon ion interaction with water and on CT-based calculations of absorbed and biological effective dose for typical clinical situations. The results of the simulations are compared with the available experimental data and with the predictions of the GSI analytical treatment planning code TRiP

Dark matter powered stars: Constraints from the extragalactic background light

The existence of predominantly cold non-baryonic dark matter is unambiguously demonstrated by several observations (e.g., structure formation, big bang nucleosynthesis, gravitational lensing, and rotational curves of spiral galaxies). A candidate well motivated by particle physics is a weakly interacting massive particle (WIMP). Self-annihilating WIMPs would affect the stellar evolution especially in the early universe. Stars powered by self-annihilating WIMP dark matter should possess different properties compared with standard stars. While a direct detection of such dark matter powered stars seems very challenging, their cumulative emission might leave an imprint in the diffuse metagalactic radiation fields, in particular in the mid-infrared part of the electromagnetic spectrum. In this work the possible contributions of dark matter powered stars (dark stars; DSs) to the extragalactic background light (EBL) are calculated. It is shown that existing data and limits of the EBL intensity can already be used to rule out some DS parameter sets.Comment: Accepted for publication in ApJ; 7 pages, 5 figure