Circumbinary Planet Formation in the Kepler-16 system. I. N-body Simulations

The recently discovered circumbinary planets (Kepler-16 b, Kepler-34 b, Kepler-35 b) represent the first direct evidence of the viability of planet formation in circumbinary orbits. We report on the results of N-body simulations investigating planetesimal accretion in the Kepler-16 b system, focusing on the range of impact velocities under the influence of both stars' gravitational perturbation and friction from a putative protoplanetary disk. Our results show that planet formation might be effectively inhibited for a large range in semi-major axis (1.75 < a_P < 4 AU), suggesting that the planetary core must have either migrated from outside 4 AU, or formed in situ very close to its current location.Comment: 6 pages, 4 figures. Accepted for publication in ApJ. Additional materials available at http://www.stefanom.org/?kep16

Third-order density-functional perturbation theory: a practical implementation with applications to anharmonic couplings in Si

We present a formulation of third-order density-functional perturbation theory which is manifestly invariant with respect to unitary transfomations within the occupied-states manifold and is particularly suitable for a practical implementation of the so called `2n+1' theorem. Our implementation is demonstrated with the calculation of the third-order anharmonic coupling coefficients for some high-simmetry phonons in Silicon.Comment: 6 pages, Plane Tex, SISSA Ref. 78/94/CM/SC (June 94

Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials

Quantum ESPRESSO is an integrated suite of computer codes for electronic-structure calculations and materials modeling, based on density-functional theory, plane waves, and pseudopotentials (norm-conserving, ultrasoft, and projector-augmented wave). Quantum ESPRESSO stands for "opEn Source Package for Research in Electronic Structure, Simulation, and Optimization". It is freely available to researchers around the world under the terms of the GNU General Public License. Quantum ESPRESSO builds upon newly-restructured electronic-structure codes that have been developed and tested by some of the original authors of novel electronic-structure algorithms and applied in the last twenty years by some of the leading materials modeling groups worldwide. Innovation and efficiency are still its main focus, with special attention paid to massively-parallel architectures, and a great effort being devoted to user friendliness. Quantum ESPRESSO is evolving towards a distribution of independent and inter-operable codes in the spirit of an open-source project, where researchers active in the field of electronic-structure calculations are encouraged to participate in the project by contributing their own codes or by implementing their own ideas into existing codes.Comment: 36 pages, 5 figures, resubmitted to J.Phys.: Condens. Matte

Eclipsing Binary Trojan Asteroid Patroclus: Thermal Inertia from Spitzer Observations

We present mid-infrared (8-33 micron) observations of the binary L5-Trojan system (617) Patroclus-Menoetius before, during, and after two shadowing events, using the Infrared Spectrograph (IRS) on board the Spitzer Space Telescope.F or the first time, we effectively observe changes in asteroid surface temperature in real time, allowing the thermal inertia to be determined very directly. A new detailed binary thermophysical model is presented which accounts for the system's known mutual orbit, arbitrary component shapes, and thermal conduction in the presence of eclipses. We obtain two local thermal-inertia values, representative of the respective shadowed areas: 21+/14 MKS and 6.4+/-1.6 MKS. The average thermal inertia is estimated to be 20+/-15 MKS, potentially with significant surface heterogeneity. This first thermal-inertia measurement for a Trojan asteroid indicates a surface covered in fine regolith. The diameters of Patroclus and Menoetius are 106 +/- 11 and 98+/-10 km, respectively, in agreement with previous findings. Taken together with the system's known total mass, this implies a bulk mass density of 1.08 +/-0.33 g/cm3, significantly below the mass density of L4-Trojan asteroid (624) Hektor and suggesting a bulk composition dominated by water ice.Comment: in press to Icarus, 48 pages, 6 tables, 5 figure

Phonons and related properties of extended systems from density-functional perturbation theory

This article reviews the current status of lattice-dynamical calculations in crystals, using density-functional perturbation theory, with emphasis on the plane-wave pseudo-potential method. Several specialized topics are treated, including the implementation for metals, the calculation of the response to macroscopic electric fields and their relevance to long wave-length vibrations in polar materials, the response to strain deformations, and higher-order responses. The success of this methodology is demonstrated with a number of applications existing in the literature.Comment: 52 pages, 14 figures, submitted to Review of Modern Physic

OPTIMADE, an API for exchanging materials data

: The Open Databases Integration for Materials Design (OPTIMADE) consortium has designed a universal application programming interface (API) to make materials databases accessible and interoperable. We outline the first stable release of the specification, v1.0, which is already supported by many leading databases and several software packages. We illustrate the advantages of the OPTIMADE API through worked examples on each of the public materials databases that support the full API specification

OPTIMADE, an API for exchanging materials data.

The Open Databases Integration for Materials Design (OPTIMADE) consortium has designed a universal application programming interface (API) to make materials databases accessible and interoperable. We outline the first stable release of the specification, v1.0, which is already supported by many leading databases and several software packages. We illustrate the advantages of the OPTIMADE API through worked examples on each of the public materials databases that support the full API specification

Spin dynamics from time-dependent density functional perturbation theory

We present a new method to model spin-wave excitations in magnetic solids, based on the Liouville-Lanczos approach to time-dependent density functional perturbation theory. This method avoids computationally expensive sums over empty states and naturally deals with the coupling between spin and charge fluctuations, without ever explicitly computing charge-density susceptibilities. Spin-wave excitations are obtained with one Lanczos chain per magnon wave-number and polarization, avoiding the solution of the linear-response problem for every individual value of frequency, as other state-of-the-art approaches do. Our method is validated by computing magnon dispersions in bulk Fe and Ni, resulting in agreement with previous theoretical studies in both cases, and with experiment in the case of Fe. The disagreement in the case of Ni is also comparable with that of previous computations

The GAPS programme with HARPS-N at TNG. X. Differential abundances in the XO-2 planet-hosting binary

Binary stars hosting exoplanets are a unique laboratory where chemical tagging can be performed to measure the elemental abundances of both stellar components with high accuracy, with the aim to investigate the formation of planets and their subsequent evolution. Here, we present a high-precision differential abundance analysis of the XO-2 wide stellar binary based on high-resolution HARPS-N at TNG spectra. Both components are very similar K-dwarfs and host planets. Since they formed presumably within the same molecular cloud, we expect that they possess the same initial elemental abundances. We investigated whether planets can cause some chemical imprints in the stellar atmospheric abundances. We measure abundances of 25 elements for both stars with a range of condensation temperature TC = 40-1741 K, achieving typical precisions of ~0.07 dex. The northern component shows abundances in all elements higher by +0.067 ± 0.032 dex on average, with a mean difference of +0.078 dex for elements with TC > 800 K. The significance of the XO-2N abundance difference relative to XO-2S is at the 2σ level for almost all elements. We discuss that this result might be interpreted as the signature of the ingestion of material by XO-2N or depletion in XO-2S that is due to locking of heavy elements by the planetary companions. We estimate a mass of several tens of M⊕ in heavy elements. The difference in abundances between XO-2N and XO-2S shows a positive correlation with the condensation temperatures of the elements, with a slope of (4.7 ± 0.9) × 10-5 dex K-1, which could mean that both components have not formed terrestrial planets, but first experienced the accretion of rocky core interior to the subsequent giant planets. Based on observations made with the Italian Telescopio Nazionale Galileo (TNG), operated on the island of La Palma by the INAF - Fundación Galileo Galilei at the Roche de los Muchachos Observatory of the Instituto de Astrofísica de Canarias (IAC) in the framework of the large programme Global Architecture of Planetary Systems (GAPS; P.I. A. Sozzetti).Final reduced spectra (FITS) are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (ftp://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/583/A135</A

VizieR Online Data Catalog: XO-2N and XO-2S spectra (Biazzo+, 2015)

Final reduced spectra used for the elemental abundance measurements. We observed both XO-2 components with the high resolution HARPS-N@TNG (R~115000, λ~3900-6900Å) spectrograph between November 20, 2012 and October 4, 2014. Solar spectra were also obtained through observations of the asteroid Vesta. The spectra reduction was obtained using the 2013 November version of the HARPS-N instrument data reduction software (DRS) pipeline. A detailed description of the observations and data reduction is reported in Paper II (Desidera et al., 2013A&A...554A..29D) (2 data files). <P /