Melting and metallization of silica in the cores of gas giants, ice giants and super Earths

The physical state and properties of silicates at conditions encountered in the cores of gas giants, ice giants and of Earth like exoplanets now discovered with masses up to several times the mass of the Earth remains mostly unknown. Here, we report on theoretical predictions of the properties of silica, SiO$_2$, up to 4 TPa and about 20,000K using first principle molecular dynamics simulations based on density functional theory. For conditions found in the Super-Earths and in ice giants, we show that silica remains a poor electrical conductor up to 10 Mbar due to an increase in the Si-O coordination with pressure. For Jupiter and Saturn cores, we find that MgSiO$_3$ silicate has not only dissociated into MgO and SiO$_2$, as shown in previous studies, but that these two phases have likely differentiated to lead to a core made of liquid SiO$_2$ and solid (Mg,Fe)O.Comment: 5 pages, 4 figure

Characterization of Plum Procyanidins by Thiolytic Depolymerization

The phenolic compounds of ?Green Gage? (GG) plums (Prunus domestica L.), ?Rainha Cla?udia Verde?, from a ?protected designation of origin? (PDO), in Portugal, were quantified in both flesh and skin tissues of plums collected in two different orchards (GG-V and GG-C). Analyzes of phenolic compounds were also performed on another GG European plum obtained in France (GG-F) and two other French plums, ?Mirabelle? (M) and ?Golden Japan? (GJ). Thiolysis was used for the first time in the analysis of plum phenolic compounds. This methodology showed that the flesh and skin contain a large proportion of flavan-3-ols, which account, respectively, for 92 and 85% in GJ, 61 and 44% in GG-V, 62 and 48% in GG-C, 54 and 27% in M, and 45 and 37% in GG-F. Terminal units of procyanidins observed in plums are mainly (+)-catechin (54?77% of all terminal units in flesh and 57?81% in skin). The GJ plums showed a phenolic composition different from all of the others, with a lower content of chlorogenic acid isomers and the presence of A-type procyanidins as dimers and terminal residues of polymerized forms. The average degree of polymerization (DPn) of plum procyanidins was higher in the flesh (5?9 units) than in the skin (4?6 units). Procyanidin B7 was observed in the flesh of all GG plums and in the skin of the Portuguese ones. Principal component analysis of the phenolic composition of the flesh and skin of these plums obtained after thiolysis allowed their distinction according to the variety and origin, opening the possibility of the use of phenolic composition for variety/origin identification

Carrier relaxation mechanisms in self-assembled (In,Ga)As/GaAs quantum dots: Efficient P -> S Auger relaxation of electrons

We calculate the P-shell--to-S-shell decay lifetime \tau(P->S) of electrons in lens-shaped self-assembled (In,Ga)As/GaAs dots due to Auger electron-hole scattering within an atomistic pseudopotential-based approach. We find that this relaxation mechanism leads to fast decay of \tau(P->S)~1-7 ps for dots of different sizes. Our calculated Auger-type P-shell--to-S-shell decay lifetimes \tau(P->S) compare well to data in (In,Ga)As/GaAs dots, showing that as long as holes are present there is no need for an alternative polaron mechanism.Comment: Version published in Phys. Rev.

Formic Acid Synthesis in a Water–Mineral System: Major Role of the Interface

Mineral surfaces are known for their catalytic properties, as they lower kinetic bar- riers to reactions, and modify chemical equilibria. Using ab-initio molecular dynamics and enhanced sampling methods we predict that the MgO(001)/water interface ther- modynamically favours the formation of formic acid from carbon monoxide and water. This occurs despite the lack of direct participation from the surface atoms, the reac- tion taking place beyond the first adsorbed layer. Furthermore, the application of an external electric field on the reaction in bulk water shows a similar effect. We propose that formic acid may be stabilised by the surface electric field, by direct comparison with the equilibrium in bulk water with and without an external electric field applied, and at the MgO(001)/water interface

Colloidal stability of tannins: astringency, wine tasting and beyond

Tannin-tannin and tannin-protein interactions in water-ethanol solvent mixtures are studied in the context of red wine tasting. While tannin self-aggregation is relevant for visual aspect of wine tasting (limpidity and related colloidal phenomena), tannin affinities for salivary proline-rich proteins is fundamental for a wide spectrum of organoleptic properties related to astringency. Tannin-tannin interactions are analyzed in water-ethanol wine-like solvents and the precipitation map is constructed for a typical grape tannin. The interaction between tannins and human salivary proline-rich proteins (PRP) are investigated in the framework of the shell model for micellization, known for describing tannin-induced aggregation of beta-casein. Tannin-assisted micellization and compaction of proteins observed by SAXS are described quantitatively and discussed in the case of astringency

Real-world contexts in statistics components of UK mathematics examinations : aiming forward, walking backwards.

Reasoning with data is pervasive in society; evidence-based policy requires reasoning about complex data; many statistics curricula do not equip students to understand such reasoning. A new mathematics curriculum for upper secondary school (pre-university) students has been taught in England from September 2017, which includes assessment based on large-scale, pre-released data. Here, we critique the specimen examination papers, identifying inappropriate uses of statistics, and a failure to understand the rationale for working with large scale, authentic, data sets. We offer an account of how this poor state of affairs has come about