Substructured formulations of nonlinear structure problems - influence of the interface condition

We investigate the use of non-overlapping domain decomposition (DD) methods for nonlinear structure problems. The classic techniques would combine a global Newton solver with a linear DD solver for the tangent systems. We propose a framework where we can swap Newton and DD, so that we solve independent nonlinear problems for each substructure and linear condensed interface problems. The objective is to decrease the number of communications between subdomains and to improve parallelism. Depending on the interface condition, we derive several formulations which are not equivalent, contrarily to the linear case. Primal, dual and mixed variants are described and assessed on a simple plasticity problem.Comment: in International Journal for Numerical Methods in Engineering, Wiley, 201

Numerical approach of cyclic behavior of 316LN stainless steel based on a polycrystal modeling including strain gradients.

International audienceA non-local polycrystal approach, taking into account strain gradients, is proposed to simulate the 316LN stainless steel fatigue life curve in the hardening stage. Material parameters identification is performed on tensile curves corresponding to several 316LN polycrystals presenting different grain sizes. Applied to an actual 3D aggregate of 316LN stainless steel of 1,200 grains, this model leads to an accurate prediction of cyclic curves. Geometrical Necessary Dislocation densities related to the computed strain gradient are added to the micro-plasticity laws. Compared to standard models, this model predicts a decrease of the local stresses as well as a grain size effect

Comparison of the ranges of uncertainty captured in different seismic-hazard studies

The inclusion of epistemic uncertainties, generally via logic trees (Kulkarni et al., 1984), within probabilistic seismic‐hazard assessments (PSHAs) is becoming standard for all types of studies (commercial, governmental, or research; site specific, national, regional, or global). Consequently many studies publish expected ground motions for a given annual frequency of exceedance (AFE) or return period derived from the hazard curves for the mean, median, and various fractiles (percentiles)

Boosting galactic outflows with enhanced resolution

We study how better resolving the cooling length of galactic outflows affect their energetics. We perform radiativehydrodynamical galaxy formation simulations of an isolated dwarf galaxy (M = 108 M) with the RAMSES-RTZ code, accounting for non-equilibrium cooling and chemistry coupled to radiative transfer. Our simulations reach a spatial resolution of 18 pc in the interstellar medium (ISM) using a traditional quasi-Lagrangian scheme. We further implement a new adaptive mesh refinement strategy to resolve the local gas cooling length, allowing us to gradually increase the resolution in the stellar-feedback-powered outflows, from ≥ 200 pc to 18 pc. The propagation of outflows into the inner circumgalactic medium is significantly modified by this additional resolution, but the ISM, star formation, and feedback remain by and large the same. With increasing resolution in the diffuse gas, the hot outflowing phase (T > 8 × 104 K) systematically reaches overall higher temperatures and stays hotter for longer as it propagates outwards. This leads to two-fold increases in the time-averaged mass and metal outflow loading factors away from the galaxy (r = 5 kpc), a five-fold increase in the average energy loading factor, and a ≈50 per cent increase in the number of sightlines with NO VI ≥ 1013 cm−2. Such a significant boost to the energetics of outflows without new feedback mechanisms or channels strongly motivates future studies quantifying the efficiency with which better-resolved multiphase outflows regulate galactic star formation in a cosmological context

POLYCRYSTALLINE MODELLING OF UDIMET 720 FORGING

International audienceA crystalline modelling of deformation implemented in a finite element code coupled to a recrystallization Cellular Automaton code is proposed and applied to forging processes of superalloys. The coupled modelling is used in order to obtain a better understanding of the microstructural evolution of superalloys during high temperature forging at different strain rates and temperatures. The framework of the modelling is large plastic deformation and large lattice rotation. The used internal variables are dislocations densities on slip systems of the different phases. Modelling is based on viscoplatic constitutive and hardening laws at the scale of the slip systems and describes local strain and stress fields as well as the stored energy and the rotation of the lattice in the grains of the microstructure. At different steps of deformation, formation of subgrains, annihilation of dislocations, nucleation, growth and new orientation of grains are computed. The 3D aggregates representing the superalloy, are built up from Electron Back Scattered Diffraction method (EBSD) by means of a high resolution Scanning Electron Microscope. The phases are identified by means of EBSD, chemical analysis (EDS) and observations with a Scanning Electron Microscope. In this paper the studied aggregate is realised from a semi product of Udimet 720. Such technique is able to give us, a realistic description of the crystalline orientation, morphology and position of grains in the aggregate. The Finite Element meshing is deduced from the EBSD analysis. At high temperature, the Udimet 720 is constituted by a γ matrix with a Face Centred Cubic structure (FCC) and γ' precipitates (Ni3(Ti,Al)) with a Simple Cubic structure (SC). The various material parameters used for the coupled modelling are previously determined from compression tests performed at several strain rate and temperature; The dislocation densities are measured from Transmission Electronic Microscope

IR characterization of Ln2−xSrxCoO4 (x≥1; Ln=La, Nd) oxides

[Abstract] We have recorded the FTIR spectra of powder samples of Ln2−xSrxCoO4 (Ln=La, Nd) at room temperature. We have identified the infrared active modes (3A2u+4Eu), and analyzed how they change as a function of Ln and the Sr doping. We correlate the obtained results with structural data obtained from powder X-ray diffraction studies and with the electronic properties displayed by these samples

PRISM: A Non-Equilibrium, Multiphase Interstellar Medium Model for Radiation Hydrodynamics Simulations of Galaxies

We introduce the PRISM interstellar medium (ISM) model for thermochemistry and its implementation in the RAMSES-RTZ code. The model includes a non-equilibrium primordial, metal, and molecular chemistry network for 115 species coupled to on-the-fly multifrequency radiation transport. PRISM accurately accounts for the dominant ISM cooling and heating processes in the low-density regime (i.e. $\rho<10^5\ {\rm cm^{-3}}$), including photoheating, photoelectric heating, H$_2$ heating/cooling, cosmic-ray heating, H/He cooling, metal-line cooling, CO cooling, and dust cooling (recombination and gas-grain collisions). We validate the model by comparing 1D equilibrium simulations across six dex in metallicity to existing 1D ISM models in the literature. We apply PRISM to high-resolution (4.5 pc) isolated dwarf galaxy simulations that include state-of-the-art models for star formation and stellar feedback to take an inventory of which cooling and heating processes dominate each different gas phase of a galaxy and to understand the importance of non-equilibrium effects. We show that most of the ISM gas is either close to thermal equilibrium or exhibits a slight cooling instability, while from a chemical perspective, the non-equilibrium electron fraction is often more than three times higher or lower than the equilibrium value, which impacts cooling, heating, and observable emission lines. Electron enhancements are attributed to recombination lags while deficits are shown to be due to rapid cosmic-ray heating. The PRISM model and its coupling to RAMSES-RTZ is applicable to a wide variety of astrophysical scenarios, from cosmological simulations to isolated giant molecular clouds, and is particularly useful for understanding how changes to ISM physics impact observable quantities such as metallic emission lines.Comment: 21 pages, 16 figures, submitted to MNRA

ARE AB INITIO QUANTUM CHEMISTRY METHODS ABLE TO PREDICT VIBRATIONAL STATES UP TO THE DISSOCIATION LIMIT FOR MULTI-ELECTRON MOLECULES CLOSE TO SPECTROSCOPIC ACCURACY?

Author Institution: Eotvos Lorand University, Budapest, Hungary; Slovak University of Technology, Trnava, Slovak Republic; Reims University, Reims, FranceThe aim of the study was to explore the limits of initio methods towards the description of excited vibrational levels up to the dissociation limit for molecules having more than two electrons. To this end a high level {\it ab initio} potential energy function was constructed for the four-electron LiH molecule in order to accurately predict a complete set of bound vibrational levels corresponding to the electronic ground state. It was composed from: a) an {\it ab initio} non-relativistic potential obtained at the MR-CISD level including size-extensivity corrections and quintuple-sextuple $\zeta$ extrapolation of the basis, b) MVD (Mass-velocity-Darwin) relativistic corrections obtained at icMR-CISD/cc-pwCV5Z level, and c) DBOC (Diagonal Born-Oppenheimer correction) obtained at the MR-CISD/cc-pwCVTZ level. Finally, the importance of non-adiabatic effects was also tested by using atomic masses in the vibrational kinetic energy operator and by calculation of non-adiabatic coupling by {\it ab initio} methods. The calculated vibrational levels were compared with those obtained from experimental data [J.A. Coxon and C.S. Dickinson, \textit{J. Chem. Phys.}, 2004, \textbf{121}, 9378]. Our best estimate of the potential curve results in vibrational energies with a RMS deviation of only $\sim$1 \wn\ for the entire set of all empirically determined vibrational levels known so far. These results represent a drastic improvement over previous theoretical predictions of vibrational levels of $^7$LiH up to dissociation, $D_0$, which was predicted to be 19594 cm$^{-1}$. In addition, rotational levels have also been calculated. The RMS deviation between our ab initio calculations and empirical results by Coxon and Dickinson for rotational spacings $\Delta E = E(v, J = 1)-E(v, J = 0)$ over all available vibrational states of $^7$LiH from $v = 0$ to $v= 20$ is 0.010 \wn\ (with nuclear masses) and 0.006 \wn\ (with atomic masses). Note that for high vibrational states with $v > 6$ this falls within the uncertainty of the measurements

Approche archéologique et environnementale des premiers peuplements alpins autour du col du Petit-Saint-Bernard (Savoie, vallée d’Aoste) : un bilan d’étape

De 2003 à 2007, une étude archéologique et sédimentaire a été réalisée sur les versants du col du Petit-Saint-Bernard (2188 m, Alpes occidentales), par de grandes séries de sondages manuels effectués dans des contextes sélectionnés. Les avantages et les inconvénients de cette méthode sont exposés et discutés. Ce travail a permis d’identifier, interstratifiés dans les remplissages holocènes, des sols bruns fersiallitiques sur les versants et des sols hydromorphes en altitude. Les répartitions chronologique et altitudinale des découvertes archéologiques sont analysées, puis comparées à une compilation des connaissances préexistantes dans les vallées alpines du Beaufortin, de la Maurienne et de la Tarentaise. Les analyses paléo-environnementales et archéologiques en cours sont présentées.An archaeological and sedimentary study was realized on the hillsides of the Petit-Saint-Bernard pass (2188 m, western Alps), from 2003 to 2007. It consisted of great series of manual boreholes in selected contexts. The efficiency of this method is discussed. This work allowed identifying brown fersiallitics soils in hillsides and hyrdromorphic soils in the heights, interstratified in the Holocene fillings. The chronological and altitudinal distributions of the findings are analysed and compared to previous data from Beaufortin, Maurienne and Tarentaise. An additional project of palaeo-environmental and archaeological analyses is presented