Temperature driven α\alpha to β\beta phase-transformation in Ti, Zr and Hf from first principles theory combined with lattice dynamics

Lattice dynamical methods used to predict phase transformations in crystals typically deal with harmonic phonon spectra and are therefore not applicable in important situations where one of the competing crystal structures is unstable in the harmonic approximation, such as the bcc structure involved in the hcp to bcc martensitic phase transformation in Ti, Zr and Hf. Here we present an expression for the free energy that does not suffer from such shortcomings, and we show by self consistent {\it ab initio} lattice dynamical calculations (SCAILD), that the critical temperature for the hcp to bcc phase transformation in Ti, Zr and Hf, can be effectively calculated from the free energy difference between the two phases. This opens up the possibility to study quantitatively, from first principles theory, temperature induced phase transitions.Comment: 4 pages, 3 figure

Water vapor on supergiants. The 12 micron TEXES spectra of mu Cephei

Several recent papers have argued for warm, semi-detached, molecular layers surrounding red giant and supergiant stars, a concept known as a MOLsphere. Spectroscopic and interferometric analyses have often corroborated this general picture. Here, we present high-resolution spectroscopic data of pure rotational lines of water vapor at 12 microns for the supergiant mu Cephei. This star has often been used to test the concept of molecular layers around supergiants. Given the prediction of an isothermal, optically thick water-vapor layer in Local Thermodynamic Equilibrium around the star (MOLsphere), we expected the 12 micron lines to be in emission or at least in absorption but filled in by emission from the molecular layer around the star. Our data, however, show the contrary; we find definite absorption. Thus, our data do not easily fit into the suggested isothermal MOLsphere scenario. The 12 micron lines, therefore, put new, strong constraints on the MOLsphere concept and on the nature of water seen in signatures across the spectra of early M supergiants. We also find that the absorption is even stronger than that calculated from a standard, spherically symmetric model photosphere without any surrounding layers. A cool model photosphere, representing cool outer layers is, however, able to reproduce the lines, but this model does not account for water vapor emission at 6 microns. Thus, a unified model for water vapor on mu Cephei appears to be lacking. It does seem necessary to model the underlying photospheres of these supergiants in their whole complexity. The strong water vapor lines clearly reveal inadequacies of classical model atmospheres.Comment: Accepted for publication in the Astrophysical Journa

Poloidal ULF oscillations in the dayside magnetosphere: a Cluster study

Three ULF wave events, all occurring in the dayside magnetopshere during magnetically quiet times, are studied using the Cluster satellites. The multi-point measurements obtained from Cluster are used to determine the azimuthal wave number for the events by means of the phase shift and the azimuthal separation between the satellites. Also, the polarisation of the electric and magnetic fields is examined in a field-aligned coordinate system, which, in turn, gives the mode of the oscillations. The large-inclination orbits of Cluster allow us to examine the phase relationship between the electric and magnetic fields along the field lines. The events studied have large azimuthal wave numbers (<i>m</i>~100), two of them have eastward propagation and all are in the poloidal mode, consistent with the large wave numbers. We also use particle data from geosynchronous satellites to look for signatures of proton injections, but none of the events show any sign of enhanced proton flux. Thus, the drift-bounce resonance instability seems unlikely to have played any part in the excitation of these pulsations. As for the drift-mirror instability we conclude that it would require an unreasonably high plasma pressure for the instability criterion to be satisfied.<br><br><b>Keywords.</b> Ionosphere (Wave propagation) – Magnetospheric physics (Plasma waves and instabilities; Instruments and techniques

Poisson equation and self-consistent periodical Anderson model

We show that the formally exact expression for the free energy (with a non-relativistic Hamiltonian) for the correlated metal generates the Poisson equation within the saddle-point approximation for the electric potential, where the charge density automatically includes correlations. In this approximation the problem is reduced to the self-consistent periodical Anderson model (SCPAM). The parameter of the mixing interaction in this formulation have to be found self-consistently together with the correlated charge density. The factors, calculated by Irkhin, for the mixing interaction, which reflect the structure of the many-electron states of the \f-ion involved, arise automatically in this formulation and are quite sensitive to the specific element we are interested in. We also discuss the definitions of the mixing interaction for the mapping from ab initio to model calculations.Comment: 25 pages, no figure

Distinguishing among Scalar Field Models of Dark Energy

We show that various scalar field models of dark energy predict degenerate luminosity distance history of the Universe and thus cannot be distinguished by supernovae measurements alone. In particular, models with a vanishing cosmological constant (the value of the potential at its minimum) are degenerate with models with a positive or negative cosmological constant whose magnitude can be as large as the critical density. Adding information from CMB anisotropy measurements does reduce the degeneracy somewhat but not significantly. Our results indicate that a theoretical prior on the preferred form of the potential and the field's initial conditions may allow to quantitatively estimate model parameters from data. Without such a theoretical prior only limited qualitative information on the form and parameters of the potential can be extracted even from very accurate data.Comment: 15 pages, 5 figure

Electronic structure investigation of Ti3AlC2, Ti3SiC2, and Ti3GeC2 by soft-X-ray emission spectroscopy

The electronic structures of epitaxially grown films of Ti3AlC2, Ti3SiC2 and Ti3GeC2 have been investigated by bulk-sensitive soft X-ray emission spectroscopy. The measured high-resolution Ti L, C K, Al L, Si L and Ge M emission spectra are compared with ab initio density-functional theory including core-to-valence dipole matrix elements. A qualitative agreement between experiment and theory is obtained. A weak covalent Ti-Al bond is manifested by a pronounced shoulder in the Ti L-emission of Ti3AlC2. As Al is replaced with Si or Ge, the shoulder disappears. For the buried Al and Si-layers, strongly hybridized spectral shapes are detected in Ti3AlC2 and Ti3SiC2, respectively. As a result of relaxation of the crystal structure and the increased charge-transfer from Ti to C, the Ti-C bonding is strengthened. The differences between the electronic structures are discussed in relation to the bonding in the nanolaminates and the corresponding change of materials properties.Comment: 15 pages, 8 figure

Spatial distribution of low-energy plasma around 2 comet 67P/CG from Rosetta measurements

International audienceWe use measurements from the Rosetta plasma consortium (RPC) Langmuir probe (LAP) and mutual impedance probe (MIP) to study the spatial distribution of low-energy plasma in the near-nucleus coma of comet 67P/Churyumov-Gerasimenko. The spatial distribution is highly structured with the highest density in the summer hemisphere and above the region connecting the two main lobes of the comet, i.e. the neck region. There is a clear correlation with the neutral density and the plasma to neutral density ratio is found to be ∼1-2·10 −6 , at a cometocentric distance of 10 km and at 3.1 AU from the sun. A clear 6.2 h modulation of the plasma is seen as the neck is exposed twice per rotation. The electron density of the collisonless plasma within 260 km from the nucleus falls of with radial distance as ∼1/r. The spatial structure indicates that local ionization of neutral gas is the dominant source of low-energy plasma around the comet

Comparative Modelling of the Spectra of Cool Giants

Our ability to extract information from the spectra of stars depends on reliable models of stellar atmospheres and appropriate techniques for spectral synthesis. Various model codes and strategies for the analysis of stellar spectra are available today. We aim to compare the results of deriving stellar parameters using different atmosphere models and different analysis strategies. The focus is set on high-resolution spectroscopy of cool giant stars. Spectra representing four cool giant stars were made available to various groups and individuals working in the area of spectral synthesis, asking them to derive stellar parameters from the data provided. The results were discussed at a workshop in Vienna in 2010. Most of the major codes currently used in the astronomical community for analyses of stellar spectra were included in this experiment. We present the results from the different groups, as well as an additional experiment comparing the synthetic spectra produced by various codes for a given set of stellar parameters. Similarities and differences of the results are discussed. Several valid approaches to analyze a given spectrum of a star result in quite a wide range of solutions. The main causes for the differences in parameters derived by different groups seem to lie in the physical input data and in the details of the analysis method. This clearly shows how far from a definitive abundance analysis we still are.Comment: accepted for publication in A&A. This version includes also the online tables. Reference spectra will later be available via the CD