Gallium self-interstitial relaxation in Gallium Arsenide: an {ab initio} characterization

Ga interstitials in GaAs ($I_{Ga}$) are studied using the local-orbital {ab-initio} code SIESTA in a supercell of {216+1} atoms. Starting from eight different initial configurations, we find five metastable structures: the two tetrahedral sites in addition to the 110-split$\mathrm{_{[Ga-As]}}$, 111-split$\mathrm{_{[Ga-As]}}$, and 100-split$\mathrm{_{[Ga-Ga]}}$. Studying the competition between various configuration and charges of $I_{Ga}$, we find that predominant gallium interstitials in GaAs are charged +1, neutral or at most -1 depending on doping conditions and prefer to occupy the tetrahedral configuration where it is surrounded by Ga atoms. Our results are in excellent agreement with recent experimental results concerning the dominant charge of $I_{Ga}$, underlining the importance of finite size effects in the calculation of defects.Comment: v1) 18 pages, 5 figures, submitted to PRB (Latex preprint version) v2) 9 pages, 5 figures, reviewed version resubmitted to PRB (correction to equation 1, some changes and reformulations, minor grammatical and typo corrections, added reference

By more ways than one: Rapid convergence at hydrothermal vents shown by 3D anatomical reconstruction of Gigantopelta (Mollusca: Neomphalina)

Background Extreme environments prompt the evolution of characteristic adaptations. Yet questions remain about whether radiations in extreme environments originate from a single lineage that masters a key adaptive pathway, or if the same features can arise in parallel through convergence. Species endemic to deep-sea hydrothermal vents must accommodate high temperature and low pH. The most successful vent species share a constrained pathway to successful energy exploitation: hosting symbionts. The vent-endemic gastropod genus Gigantopelta, from the Southern and Indian Oceans, shares unusual features with a co-occurring peltospirid, the ‘scaly-foot gastropod’ Chrysomallon squamiferum. Both are unusually large for the clade and share other adaptive features such as a prominent enlarged trophosome-like oesophageal gland, not found in any other vent molluscs. Results Transmission electron microscopy confirmed endosymbiont bacteria in the oesophageal gland of Gigantopelta, as also seen in Chrysomallon. They are the only known members of their phylum in vent ecosystems hosting internal endosymbionts; other vent molluscs host endosymbionts in or on their gills, or in the mantle cavity. A five-gene phylogenetic reconstruction demonstrated that Gigantopelta and Chrysomallon are not phylogenetically sister-taxa, despite their superficial similarity. Both genera have specialist adaptations to accommodate internalised endosymbionts, but with anatomical differences that indicate separate evolutionary origins. Hosting endosymbionts in an internal organ within the host means that all resources required by the bacteria must be supplied by the animal, rather than directly by the vent fluid. Unlike Chrysomallon, which has an enlarged oesophageal gland throughout post-settlement life, the oesophageal gland in Gigantopelta is proportionally much smaller in juveniles and the animals likely undergo a trophic shift during ontogeny. The circulatory system is hypertrophied in both but the overall size is smaller in Gigantopelta. In contrast with Chrysomallon, Gigantopelta possesses true ganglia and is gonochoristic. Conclusions Key anatomical differences between Gigantopelta and Chrysomallon demonstrate these two genera acquired a similar way of life through independent and convergent adaptive pathways. What appear to be the holobiont’s adaptations to an extreme environment, are driven by optimising bacteria’s access to vent nutrients. By comparing Gigantopelta and Chrysomallon, we show that metazoans are capable of rapidly and repeatedly evolving equivalent anatomical adaptations and close-knit relationships with chemoautotrophic bacteria, achieving the same end-product through parallel evolutionary trajectories

Low cost estimation of Wöhler and Goodman–Haigh curves of Ti-6Al-4V samples by considering the stress ratio effect

The stress ratio effect on the fatigue life of materials is a topic which have been studied by two different approaches. On the one hand, several experiments, performed under different stress ratios are necessary to estimate the corresponding Wöhler curves. Afterwards, these curves are considered to estimate the fatigue life under a particular stress range. On the other hand, fatigue failure criteria for fluctuating stress like the Goodman–Haigh relationship, are applied to estimate the stress amplitude for a constant fatigue life. Based on the Stüssi function, this paper presents a low cost model to estimate Wöhler curves and constant fatigue Goodman–Haigh diagrams. This procedure requires a set of tests performed under a particular stress ratio from LCF to HCF, and data from minimum two additional stress ranges for each subsequent stress ratio. An application on data from Ti-6Al-4V samples manufactured by selective laser melting (SLM) is presented

The alphaalphas2alpha alpha_s^2 corrections to the first moment of the polarized virtual photon structure function g1gamma(x,Q2,P2)g_1^gamma(x,Q^2,P^2)

We present the next-to-next-to-leading order ($alpha alpha_s^2$) corrections to the first moment of the polarized virtual photon structure function $g_1^gamma(x,Q^2,P^2)$ in the kinematical region $Lambda^2 ll P^2 ll Q^2$, where $-Q^2(-P^2)$ is the mass squared of the probe (target) photon and $Lambda$ is the QCD scale parameter. In order to evaluate the three-loop-level photon matrix element of the flavor singlet axial current, we resort to the Adler-Bardeen theorem for the axial anomaly and we calculate in effect the two-loop diagrams for the photon matrix element of the gluon operator. The $alpha alpha_s^2$ corrections are found to be about 3% of the sum of the leading order ($alpha$) andthe next-to-leading order ($alpha alpha_s$) contributions, when $Q^2=30 sim 100 {rm GeV}^2$and $P^2=3{rm GeV}^2$, and the number of active quark flavors $n_f$ is three to five.Comment: 21 page

Spin Structure Function of the Virtual Photon Beyond the Leading Order in QCD

Polarized photon structure can be studied in the future polarized $e^{+}e^{-}$ colliding-beam experiments. We investigate the spin-dependent structure function of the virtual photon $g_1^{\gamma}(x,Q^2,P^2)$, in perturbative QCD for $\Lambda^2 \ll P^2 \ll Q^2$, where $-Q^2$ ($-P^2$) is the mass squared of the probe (target) photon. The analysis is performed to next-to-leading order in QCD. We particularly emphasize the renormalization scheme independence of the result.The non-leading corrections significantly modify the leading log result, in particular, at large $x$ as well as at small $x$. We also discuss the non-vanishing first moment sum rule of $g_1^\gamma$, where ${\cal O}(\alpha_s)$ corrections are computed.Comment: 39 pages, LaTeX, 6 Postscript Figures, eqsection.sty file include

Trace anomaly induced effective action and 2d black holes for dilaton coupled supersymmetric theories

The action for 2d dilatonic supergravity with dilaton coupled matter and dilaton multiplets is constructed. Trace anomaly and anomaly induced effective action (in components as well as in supersymmetric form) for matter supermultiplet on bosonic background are found. The one-loop effective action and large-$N$ effective action for quantum dilatonic supergravity are also calculated. Using induced effective action one can estimate the back-reaction of dilaton coupled matter to the classical black hole solutions of dilatonic supergravity. That is done on the example of supersymmetric CGHS model with dilaton coupled quantum matter where Hawking radiation which turns out to be zero is calculated. Similar 2d analysis maybe used to study spherically symmetric collapse for other models of 4d supergravity.Comment: 21 pages, LaTeX, NDA-FP-3

Western Pacific atmospheric nutrient deposition fluxes, their impact on surface ocean productivity

The atmospheric deposition of both macronutrients and micronutrients plays an important role in driving primary productivity, particularly in the low-latitude ocean. We report aerosol major ion measurements for five ship-based sampling campaigns in the western Pacific from similar to 25 degrees N to 20 degrees S and compare the results with those from Atlantic meridional transects (similar to 50 degrees N to 50 degrees S) with aerosols collected and analyzed in the same laboratory, allowing full incomparability. We discuss sources of the main nutrient species (nitrogen (N), phosphorus (P), and iron (Fe)) in the aerosols and their stoichiometry. Striking north-south gradients are evident over both basins with the Northern Hemisphere more impacted by terrestrial dust sources and anthropogenic emissions and the North Atlantic apparently more impacted than the North Pacific. We estimate the atmospheric supply rates of these nutrients and the potential impact of the atmospheric deposition on the tropical western Pacific. Our results suggest that the atmospheric deposition is P deficient relative to the needs of the resident phytoplankton. These findings suggest that atmospheric supply of N, Fe, and P increases primary productivity utilizing some of the residual excess phosphorus (P*) in the surface waters to compensate for aerosol P deficiency. Regional primary productivity is further enhanced via the stimulation of nitrogen fixation fuelled by the residual atmospheric iron and P*. Our stoichiometric calculations reveal that a P* of 0.1 mu mol L-1 can offset the P deficiency in atmospheric supply for many months. This study suggests that atmospheric deposition may sustain similar to 10% of primary production in both the western tropical Pacific

Adaptive Optimization of Wave Functions for Fermion Lattice Models

We present a simulation algorithm for Hamiltonian fermion lattice models. A guiding trial wave function is adaptively optimized during Monte Carlo evolution. We apply the method to the two dimensional Gross-Neveu model and analyze systematc errors in the study of ground state properties. We show that accurate measurements can be achieved by a proper extrapolation in the algorithm free parameters.Comment: 4 pages, 6 figures (Encapsulated PostScript

Target Mass Effects in Polarized Virtual Photon Structure Functions

We study target mass effects in the polarized virtual photon structure functions $g_1^\gamma (x,Q^2,P^2)$, $g_2^\gamma (x,Q^2,P^2)$ in the kinematic region $\Lambda^2\ll P^2 \ll Q^2$, where $-Q^2 (-P^2)$ is the mass squared of the probe (target) photon. We obtain the expressions for $g_1^\gamma (x,Q^2,P^2)$ and $g_2^\gamma (x,Q^2,P^2)$ in closed form by inverting the Nachtmann moments for the twist-2 and twist-3 operators. Numerical analysis shows that target mass effects appear at large $x$ and become sizable near $x_{\rm max}(=1/(1+\frac{P^2}{Q^2}))$, the maximal value of $x$, as the ratio $P^2/Q^2$ increases. Target mass effects for the sum rules of $g_1^\gamma$ and $g_2^\gamma$ are also discussed.Comment: 24 pages, LaTeX, 9 eps figure

Lambda Polarization in Polarized Proton-Proton Collisions at RHIC

We discuss Lambda polarization in semi-inclusive proton-proton collisions, with one of the protons longitudinally polarized. The hyperfine interaction responsible for the $\Delta$-$N$ and $\Sigma$-$\Lambda$ mass splittings gives rise to flavor asymmetric fragmentation functions and to sizable polarized non-strange fragmentation functions. We predict large positive Lambda polarization in polarized proton-proton collisions at large rapidities of the produced Lambda, while other models, based on SU(3) flavor symmetric fragmentation functions, predict zero or negative Lambda polarization. The effect of $\Sigma^0$ and $\Sigma^*$ decays is also discussed. Forthcoming experiments at RHIC will be able to differentiate between these predictions.Comment: 18 pages, 5 figure