Crystal structure prediction using the Minima Hopping method

A structure prediction method is presented based on the Minima Hopping method. Optimized moves on the configurational enthalpy surface are performed to escape local minima using variable cell shape molecular dynamics by aligning the initial atomic and cell velocities to low curvature directions of the current minimum. The method is applied to both silicon crystals and binary Lennard-Jones mixtures and the results are compared to previous investigations. It is shown that a high success rate is achieved and a reliable prediction of unknown ground state structures is possible.Comment: 9 pages, 6 figures, novel approach in structure prediction, submitted to the Journal of Chemical Physic

Scalar meson and glueball decays within a effective chiral approach

We study the strong and electromagnetic decay properties of scalar mesons above 1 GeV within a chiral approach. The scalar-isoscalar states are treated as mixed states of quarkonia and glueball configurations. A fit to the experimental decay rates listed by the Particle Data group is performed to extract phenomenological constraints on the nature of the scalar resonances. A comparison to other theoretical approaches in the scalar meson sector is discussed.Comment: 13 pages, accepted for publication in PL

Numerical Evidence for the Observation of a Scalar Glueball

We compute from lattice QCD in the valence (quenched) approximation the partial decay widths of the lightest scalar glueball to pairs of pseudoscalar quark-antiquark states. These predictions and values obtained earlier for the scalar glueball's mass are in good agreement with the observed properties of $f_J(1710)$ and inconsistent with all other observed meson resonances.Comment: 12 pages of Latex, 3 PostsScript figures as separate uufil

Scalar Quarkonium Masses and Mixing with the Lightest Scalar Glueball

We evaluate the continuum limit of the valence (quenched) approximation to the mass of the lightest scalar quarkonium state, for a range of different quark masses, and to the mixing energy between these states and the lightest scalar glueball. Our results support the interpretation of $f_0(1710)$ as composed mainly of the lightest scalar glueball.Comment: 14 pages of Latex, 5 PostScript figure

Identification of novel Cu, Ag, and Au ternary oxides from global structural prediction

We use ab initio global structural prediction, and specifically the minima hopping method, to explore the periodic table in search of novel oxide phases. In total, we study 183 different compositions of the form MXO2, where M=(Cu, Ag, Au) and X is an element of the periodic table. This set includes the well-known Cu delafossite compounds that are, up to now, the best p-type transparent conductive oxides known to mankind. Our calculations discover 81 stable compositions, out of which only 36 are included in available databases. Some of these new phases are potentially good candidates for transparent electrodes. These results demonstrate, on one hand, how incomplete is still our knowledge of the phase-space of stable ternary materials. On the other hand, we show that structural prediction combined with high-throughput approaches is a powerful tool to extend that knowledge, paving the way for the experimental discovery of new materials on a large scale

Sainfoin – New Data on Anthelmintic Effects and Production in Sheep and Goats

Gastrointestinal nematodes (GIN) are one of the most important problems affecting health and therefore performance and welfare in small ruminant husbandry. The control of these parasites in the past strongly relied on the repeated use of anthelmintic drugs. This has led to nematode populations which are resistant to most of the currently available anthelmintics. Furthermore customer’s demands for organic and residue free animal products are increasing. The aforementioned problems have given a strong impetus for the development of new non-chemical strategies to control GIN. Previous research has pointed out the anthelmintic potential of sainfoin (Onobrychis viciifolia) and other tanniferous (CT) feed sources in goats and lambs infected with GIN. A recent Swiss experiment focussed on the use of sainfoin and field bean (Vicia faba, cv. Scirocco) as single CT sources as well as in combination for additional synergic effects, to reduce periparturient GIN egg rise of ewes in late gestation and early lactation. Another experiment with Alpine goats concentrated on the influence of sainfoin on milk performance and cheese quality. The results of these experiments will be presented and discussed in connection with previous knowledge on (i) anthelmintic effects of sainfoin and (ii) the influence of sainfoin administration on performance

Limits on the neutrino magnetic moment from the MUNU experiment

The MUNU experiment was carried out at the Bugey nuclear power reactor. The aim was the study of electron antineutrino-electron elastic scattering at low energy. The recoil electrons were recorded in a gas time projection chamber, immersed in a tank filled with liquid scintillator serving as veto detector, suppressing in particular Compton electrons. The measured electron recoil spectrum is presented. Upper limits on the neutrino magnetic moment were derived and are discussed.Comment: 9 pages, 7 figures Added reference: p.3, 1st col., TEXONO Added sentence: p.4, 1st col., electron attachement Modified sentence: p.5, 1st col., readout sequence Added sentence: p.5, 1st col., fast rise time cu

Estimating sigma-meson couplings from D \to 3\pi decays

Using recent experimental evidence from E791 on the sigma meson in D \to 3\pi decays, we study the relevant couplings in D \to \sigma \pi and \sigma \to \pi\ pi within the accepted theoretical framework for non leptonic D decays. We also review the linear sigma model, finding that it gives a description which is consistent with the experimental data.Comment: 6 pages, no figures. Final version accepted for publication as a Brief Report in Physical Review

Heavy-quark Langevin dynamics and single-electron spectra in nucleus-nucleus collision

The stochastic dynamics of heavy quarks in the fireball produced in heavy-ion collisions is followed through numerical simulations based on the Langevin equation. The modification of the final p_T spectra (R_AA) of c and b quarks, hadrons and single-electrons with respect to pp collisions is studied. The transport coefficients are evaluated treating separately the contribution of soft and hard collisions. The initial heavy-quark spectra are generated according to NLO-pQCD, accounting for nuclear effects through recent nPDFs. The evolution of the medium is obtained from the output of two hydro-codes (ideal and viscous). The heavy-quark fragmentation into hadrons and their final semileptonic decays are implemented according to up to date experimental data. A comparison with RHIC data for non-photonic electron spectra is given.Comment: 4 pages, 3 figures, Talk given at "Hot Quarks 2010", 21th-26th June 201

Nucleon Resonances and Quark Structure

A pedagogical review of the past 50 years of study of resonances, leading to our understanding of the quark content of baryons and mesons. The level of this review is intended for undergraduates or first-year graduate students. Topics covered include: the quark structure of the proton as revealed through deep inelastic scattering; structure functions and what they reveal about proton structure; and prospects for further studies with new and upgraded facilities, particularly a proposed electron-ion collider.Comment: 21 pages, 15 figure