Thermodynamics of hydration and oxidation in the proton conductor Gd-doped barium cerate from density functional theory calculations

International audienceHydration and oxidation of gadolinium-doped barium cerate, a system with highly promising properties when used as electrolyte for protonic ceramic fuel cells, are investigated by means of density functional calculations. The energy landscape of oxygen vacancies and interstitial protons in this strongly distorted orthorhombic perovskite is computed. Although the most stable sites for protons are found in the close vicinity of the dopant, the picture of a very complex energy landscape emerges, in which some sites far away from Gd are found more stable than other ones in its close vicinity, due to the highly distorted geometry of the hostmaterials. The fully hydrated phase can be approximated by a structure with 16 local minima. Both hydration (water incorporation) and oxidation (oxygen incorporation) are found to be exothermic processeswith reaction enthalpies of−1.34 eV/H2Omolecule and −0.70 eV/O atom, respectively. The hole polaron resulting from the exothermic incorporation of oxygen is found localized on oxygens around the dopant (small polaron) and carries a spin magnetic moment. Finally, the competition between hydration and oxidation is studied and discussed as a function of oxygen and water partial pressures

On the decay of turbulence in plane Couette flow

The decay of turbulent and laminar oblique bands in the lower transitional range of plane Couette flow is studied by means of direct numerical simulations of the Navier--Stokes equations. We consider systems that are extended enough for several bands to exist, thanks to mild wall-normal under-resolution considered as a consistent and well-validated modelling strategy. We point out a two-stage process involving the rupture of a band followed by a slow regression of the fragments left. Previous approaches to turbulence decay in wall-bounded flows making use of the chaotic transient paradigm are reinterpreted within a spatiotemporal perspective in terms of large deviations of an underlying stochastic process.Comment: ETC13 Conference Proceedings, 6 pages, 5 figure

Fluid intake patterns of children and adolescents: results of six Liq.In7 national cross-sectional surveys

Purpose: This study aimed to identify and characterize patterns of fluid intake in children and adolescents from six countries: Argentina, Brazil, China, Indonesia, Mexico and Uruguay. Methods: Data on fluid intake volume and type amongst children (4–9 years; N = 1400) and adolescents (10–17 years; N = 1781) were collected using the validated 7-day fluid-specific record (Liq.In7 record). To identify relatively distinct clusters of subjects based on eight fluid types (water, milk and its derivatives, hot beverages, sugar-sweetened beverages (SSB), 100% fruit juices, artificial/non-nutritive sweetened beverages, alcoholic beverages, other beverages), a cluster analysis (partitioning around k-medoids algorithm) was used. Clusters were then characterized according to their socio-demographics and lifestyle indicators. Results: The six interpretable clusters identified were: low drinkers–SSB (n 523), low drinkers–water and milk (n 615), medium mixed drinkers (n 914), high drinkers–SSB (n 513), high drinkers–water (n 352) and very high drinkers–water (n 264). Country of residence was the dominant characteristic, followed by socioeconomic level, in all six patterns. Conclusions: This analysis showed that consumption of water and SSB were the primary drivers of the clusters. In addition to country, socio-demographic and lifestyle factors played a role in determining the characteristics of each cluster. This information highlights the need to target interventions in particular populations aimed at changing fluid intake behavior and improving health in children and adolescents

Convective and absolute Eckhaus instability leading to modulated waves in a finite box

We report experimental study of the secondary modulational instability of a one-dimensional non-linear traveling wave in a long bounded channel. Two qualitatively different instability regimes involving fronts of spatio-temporal defects are linked to the convective and absolute nature of the instability. Both transitions appear to be subcritical. The spatio-temporal defects control the global mode structure.Comment: 5 pages, 7 figures (ReVTeX 4 and amsmath.sty), final versio

The melting curve of iron at extreme pressures: implications for planetary cores

Exoplanets with masses similar to that of Earth have recently been discovered in extrasolar systems. A first order question for understanding their dynamics is to know whether they possess Earth like liquid metallic cores. However, the iron melting curve is unknown at conditions corresponding to planets of several times the Earth's mass (over 1500 GPa for planets with 10 times the Earth's mass (ME)). In the density-temperature region of the cores of those super-Earths, we calculate the iron melting curve using first principle molecular dynamics simulations based on density functional theory. By comparing this melting curve with the calculated thermal structure of Super Earths, we show that planets heavier than 2ME, have solid cores, thus precluding the existence of an internal metallic-core driven magnetic field. The iron melting curve obtained in this study exhibits a steeper slope than any calculated planetary adiabatic temperature profile rendering the presence of molten metallic cores less likely as sizes of terrestrial planets increase

Evolution of turbulent spots in a parallel shear flow

The evolution of turbulent spots in a parallel shear flow is studied by means of full three-dimensional numerical simulations. The flow is bounded by free surfaces and driven by a volume force. Three regions in the spanwise spot cross-section can be identified: a turbulent interior, an interface layer with prominent streamwise streaks and vortices and a laminar exterior region with a large scale flow induced by the presence of the spot. The lift-up of streamwise streaks which is caused by non-normal amplification is clearly detected in the region adjacent to the spot interface. The spot can be characterized by an exponentially decaying front that moves with a speed different from that of the cross-stream outflow or the spanwise phase velocity of the streamwise roll pattern. Growth of the spots seems to be intimately connected to the large scale outside flow, for a turbulent ribbon extending across the box in downstream direction does not show the large scale flow and does not grow. Quantitatively, the large scale flow induces a linear instability in the neighborhood of the spot, but the associated front velocity is too small to explain the spot spreading.Comment: 10 pages, 10 Postscript figure