Hydrogen gas embrittlement and the disc pressure test

A disc pressure test has been used to study the influenced of a hydrogen gas environment on the mechanical properties of three high strength superalloys, Inconel 718, L-605 and A-286, in static and dynamic conditions. The influence of the hydrogen pressure, loading rate, temperature, mechanical and thermal fatigue has investigated. The permeation characteristics of Inconel 718 have been determined in collaboration with the French AEC. The results complemented by a fractographic study are consistent either with a stress-sorption or with an internal embrittlement type of mechanism

Unified modelling of the thermoelectric properties in SrTiO3

Thermoelectric materials are opening a promising pathway to address energy conversion issues governed by a competition between thermal and electronic transport. Improving the efficiency is a difficult task, a challenge that requires new strategies to unearth optimized compounds. We present a theory of thermoelectric transport in electron doped SrTiO3, based on a realistic tight binding model that includes relevant scattering processes. We compare our calculations against a wide panel of experimental data, both bulk and thin films. We find a qualitative and quantitative agreement over both a wide range of temperatures and carrier concentrations, from light to heavily doped. Moreover, the results appear insensitive to the nature of the dopant La, B, Gd and Nb. Thus, the quantitative success found in the case of SrTiO3, reveals an efficient procedure to explore new routes to improve the thermoelectric properties in oxides.Comment: 5 figures, manuscript submitte

A brown dwarf orbiting an M-dwarf: MOA 2009–BLG–411L

Context. Caustic crossing is the clearest signature of binary lenses in microlensing. In the present context, this signature is diluted by the large source star but a detailed analysis has allowed the companion signal to be extracted. Aims. MOA 2009-BLG-411 was detected on August 5, 2009 by the MOA-Collaboration. Alerted as a high-magnification event, it was sensitive to planets. Suspected anomalies in the light curve were not confirmed by a real-time model, but further analysis revealed small deviations from a single lens extended source fit. Methods. Thanks to observations by all the collaborations, this event was well monitored. We first decided to characterize the source star properties by using a more refined method than the classical one: we measure the interstellar absorption along the line of sight in five different passbands (VIJHK). Secondly, we model the lightcurve by using the standard technique: make (s,q,α) grids to look for local minima and refine the results by using a downhill method (Markov chain Monte Carlo). Finally, we use a Galactic model to estimate the physical properties of the lens components. Results. We find that the source star is a giant G star with radius 9 R_⊙. The grid search gives two local minima, which correspond to the theoretical degeneracy s ≡ s^(-1). We find that the lens is composed of a brown dwarf secondary of mass M_S = 0.05 M_⊙ orbiting a primary M-star of mass M_P = 0.18 M_⊙. We also reveal a new mass-ratio degeneracy for the central caustics of close binaries. Conclusions. As far as we are aware, this is the first detection using the microlensing technique of a binary system in our Galaxy composed of an M-star and a brown dwarf

Ab initio Molecular Dynamics in Adaptive Coordinates

We present a new formulation of ab initio molecular dynamics which exploits the efficiency of plane waves in adaptive curvilinear coordinates, and thus provides an accurate treatment of first-row elements. The method is used to perform a molecular dynamics simulation of the CO_2 molecule, and allows to reproduce detailed features of its vibrational spectrum such as the splitting of the Raman sigma+_g mode caused by Fermi resonance. This new approach opens the way to highly accurate ab initio simulations of organic compounds.Comment: 11 pages, 3 PostScript figure

Monte Carlo approach of the islanding of polycrystalline thin films

We computed by a Monte Carlo method derived from the Solid on Solid model, the evolution of a polycrystalline thin film deposited on a substrate during thermal treatment. Two types of substrates have been studied: a single crystalline substrate with no defects and a single crystalline substrate with defects. We obtain islands which are either flat (i.e. with a height which does not overcome a given value) or grow in height like narrow towers. A good agreement was found regarding the morphology of numerical nanoislands at equilibrium, deduced from our model, and experimental nanoislands resulting from the fragmentation of YSZ thin films after thermal treatment.Comment: 20 pages, 7 figure

Variational finite-difference representation of the kinetic energy operator

A potential disadvantage of real-space-grid electronic structure methods is the lack of a variational principle and the concomitant increase of total energy with grid refinement. We show that the origin of this feature is the systematic underestimation of the kinetic energy by the finite difference representation of the Laplacian operator. We present an alternative representation that provides a rigorous upper bound estimate of the true kinetic energy and we illustrate its properties with a harmonic oscillator potential. For a more realistic application, we study the convergence of the total energy of bulk silicon using a real-space-grid density-functional code and employing both the conventional and the alternative representations of the kinetic energy operator.Comment: 3 pages, 3 figures, 1 table. To appear in Phys. Rev. B. Contribution for the 10th anniversary of the eprint serve