Structural stability of intermetallic phases in the Zr–Sn system

A thermodynamic description of the intermetallic compounds in the Zr–Sn binary system has been obtained using total energy calculations by means of the Vienna ab initio simulation package. Our calculations show that hexagonal compounds Zr5Sn4 and Zr5Sn3 are the most stable phases in the Zr–Sn binary system. Their high stability is found to be due to hybridization of the Sn 5p with Zr 4d electronic states. Based on the calculated energies, the conclusion is made that Zr substitution on the Sn sites takes place in the Zr Sn phase, which accounts for the unusual stoichiometry of this Cr3Si structure type compound

Совершенствование методики тренировки гиревиков 18-20 лет на этапе спортивного совершенствования

Совершенствование методики тренировки гиревиков 18-20 лет на этапе спортивного совершенствованияImprovement of techniques weightlifters 18-20 years at a stage of sports perfectio

Dilute ferrimagnetic semiconductors in Fe-substituted spinel ZnGa2_2O4_4

Solid solutions of nominal composition [ZnGa$_2$O$_4$]$_{1-x}$[Fe$_3$O$_4$]$_x$, of the semiconducting spinel ZnGa$_2$O$_4$ with the ferrimagnetic spinel Fe$_3$O$_4$ have been prepared with $x$ = 0.05, 0.10, and 0.15. All samples show evidence for long-range magnetic ordering with ferromagnetic hysteresis at low temperatures. Magnetization as a function of field for the $x$ = 0.15 sample is S-shaped at temperatures as high as 200 K. M\"ossbauer spectroscopy on the $x$ = 0.15 sample confirms the presence of Fe$^{3+}$, and spontaneous magnetization at 4.2 K. The magnetic behavior is obtained without greatly affecting the semiconducting properties of the host; diffuse reflectance optical spectroscopy indicates that Fe substitution up to $x$ = 0.15 does not affect the position of the band edge absorption. These promising results motivate the possibility of dilute ferrimagnetic semiconductors which do not require carrier mediation of the magnetic moment.Comment: 9 pages and 6 figure

Simulations of the Hyades

Context: Using the recent observational data of R\"oser et al. we present $N$-body simulations of the Hyades open cluster. Aims: We make an attempt to determine initial conditions of the Hyades cluster at the time of its formation in order to reproduce the present-day cumulative mass profile, stellar mass and luminosity function (LF). Methods: We performed direct $N$-body simulations of the Hyades in an analytic Milky Way potential that account for stellar evolution and include primordial binaries in a few models. Furthermore, we applied a Kroupa (2001) IMF and used extensive ensemble-averaging. Results: We find that evolved single-star King initial models with King parameters $W_0 = 6-9$ and initial particle numbers $N_0 = 3000$ provide good fits to the observational present-day cumulative mass profile within the Jacobi radius. The best-fit King model has an initial mass of $1721\ M_\odot$ and an average mass loss rate of $-2.2 \ M_\odot/\mathrm{Myr}$. The K-band LFs of models and observations show a reasonable agreement. Mass segregation is detected in both observations and models. If 33% primordial binaries are included the initial particle number is reduced by 5% as compared to the model without primordial binaries. Conclusions: The present-day properties of the Hyades can be well reproduced by a standard King or Plummer initial model when choosing appropriate initial conditions. The degeneracy of good-fitting models can be quite high due to the large dimension of the parameter space. More simulations with different Roche-lobe filling factors and primordial binary fractions are required to explore this degeneracy in more detail.Comment: 14 pages, 16+1 figures, hopefully final version, contains a note added in proo

Iron Isotope Fractionation during Fe(II) Oxidation Mediated by the Oxygen-Producing Marine Cyanobacterium Synechococcus PCC 7002

In this study, we couple iron isotope analysis to microscopic and mineralogical investigation of iron speciation during circumneutral Fe(II) oxidation and Fe(III) precipitation with photosynthetically produced oxygen. In the presence of the cyanobacterium Synechococcus PCC 7002, aqueous Fe(II) (Fe(II)aq) is oxidized and precipitated as amorphous Fe(III) oxyhydroxide minerals (iron precipitates, Feppt), with distinct isotopic fractionation (ε56Fe) values determined from fitting the δ56Fe(II)aq (1.79‰ and 2.15‰) and the δ56Feppt (2.44‰ and 2.98‰) data trends from two replicate experiments. Additional Fe(II) and Fe(III) phases were detected using microscopy and chemical extractions and likely represent Fe(II) and Fe(III) sorbed to minerals and cells. The iron desorbed with sodium acetate (FeNaAc) yielded heavier δ56Fe compositions than Fe(II)aq. Modeling of the fractionation during Fe(III) sorption to cells and Fe(II) sorption to Feppt, combined with equilibration of sorbed iron and with Fe(II)aq using published fractionation factors, is consistent with our resulting δ56FeNaAc. The δ56Feppt data trend is inconsistent with complete equilibrium exchange with Fe(II)aq. Because of this and our detection of microbially excreted organics (e.g., exopolysaccharides) coating Feppt in our microscopic analysis, we suggest that electron and atom exchange is partially suppressed in this system by biologically produced organics. These results indicate that cyanobacteria influence the fate and composition of iron in sunlit environments via their role in Fe(II) oxidation through O2 production, the capacity of their cell surfaces to sorb iron, and the interaction of secreted organics with Fe(III) minerals

A new set of integrals of motion to propagate the perturbed two-body problem

A formulation of the perturbed two-body problem that relies on a new set of orbital elements is presented. The proposed method represents a generalization of the special perturbation method published by Peláez et al. (Celest Mech Dyn Astron 97(2):131?150,2007) for the case of a perturbing force that is partially or totally derivable from a potential. We accomplish this result by employing a generalized Sundman time transformation in the framework of the projective decomposition, which is a known approach for transforming the two-body problem into a set of linear and regular differential equations of motion. Numerical tests, carried out with examples extensively used in the literature, show the remarkable improvement of the performance of the new method for different kinds of perturbations and eccentricities. In particular, one notable result is that the quadratic dependence of the position error on the time-like argument exhibited by Peláez?s method for near-circular motion under the J2 perturbation is transformed into linear.Moreover, themethod reveals to be competitive with two very popular elementmethods derived from theKustaanheimo-Stiefel and Sperling-Burdet regularizations

Assessment techniques, database design and software facilities for thermodynamics and diffusion

The purpose of this article is to give a set of recommendations to producers of assessed thermodynamic data, who may be involved in either the critical evaluation of limited chemical systems or the creation and dissemination of larger thermodynamic databases. Also, it is hoped that reviewers and editors of scientific publications in this field will find some of the information useful. Good practice in the assessment process is essential, particularly as datasets from many different sources may be combined together into a single database. With this in mind, we highlight some problems that can arise during the assessment process and we propose a quality assurance procedure. It is worth mentioning at this point, that the provision of reliable assessed thermodynamic data relies heavily on the availability of high quality experimental information. The different software packages for thermodynamics and diffusion are described here only briefly

The Al-Rich Part of the Fe-Al Phase Diagram

The Al-rich part of the Fe-Al phase diagram between 50 and 80 at.% Al including the complex intermetallic phases Fe$_{5}$Al$_{8}$ (ε), FeAl$_{2}$, Fe$_{2}$Al$_{5}$, and Fe4Al$_{13}$ was re-investigated in detail. A series of 19 alloys was produced and heat-treated at temperatures in the range from 600 to 1100 °C for up to 5000 h. The obtained data were further complemented by results from a number of diffusion couples, which helped to determine the homogeneity ranges of the phases FeAl$_{2}$, Fe$_{2}$Al$_{5}$, and Fe$_{4}$Al$_{13}$. All microstructures were inspected by scanning electron microscopy (SEM), and chemical compositions of the equilibrium phases as well as of the alloys were obtained by electron probe microanalysis (EPMA). Crystal structures and the variation of the lattice parameters were studied by x-ray diffraction (XRD) and differential thermal analysis (DTA) was applied to measure all types of transition temperatures. From these results, a revised version of the Al-rich part of the phase diagram was constructed