Non-stochastic behavior of atomic surface diffusion on Cu(111) at all temperatures

Atomic diffusion is usually understood as a succession of random, independent displacements of an adatom over the surface's potential energy landscape. Nevertheless, an analysis of Molecular Dynamics simulations of self-diffusion on Cu(111) demonstrates the existence of different types of correlations in the atomic jumps at all temperatures. Thus, the atomic displacements cannot be correctly described in terms of a random walk model. This fact has a profound impact on the determination and interpretation of diffusion coefficients.Comment: 5 figure

Thermal Stability of Self-Assembled Monolayers of n-Hexanethiol on Au(111)-(1 × 1) and Au(001)-(1 × 1)

Thermal desorption in an ultrahigh vacuum of n-hexanethiol (C6T) self-assembled monolayers (SAMs) prepared from ethanolic solutions on Au(111) and Au(001) unreconstructed surfaces was investigated by X-ray photoelectron spectroscopy. The SAMs desorption was performed from room temperature (RT) to 380 K. We report that the hexanethiolate surface saturation coverage is bigger (∼0.4 ML) for the SAM on Au(001) than on Au(111) (∼0.33 ML). We identified a greater stability for C6T SAMs on Au(001). Large amounts of physisorbed species were found on preferred oriented (111) polycrystalline Au at the low coverage regime at RT, while the SAM on the Au(001) single crystal at this conditions desorbs at a steady pace. At 340 K, both SAMs remain stable at the coverage expected for the lying-down phases that maximizes the van der Waals interactions. We observe that at higher temperatures the carbon alpha-sulfur bond breaks, producing free S on both gold surfaces.Fil: Cristina, Lucila Josefina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Física del Litoral. Universidad Nacional del Litoral. Instituto de Física del Litoral; ArgentinaFil: Ruano Sandoval, Gustavo Daniel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Física del Litoral. Universidad Nacional del Litoral. Instituto de Física del Litoral; ArgentinaFil: Salvarezza, Roberto Carlos. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas; ArgentinaFil: Ferron, Julio. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Física del Litoral. Universidad Nacional del Litoral. Instituto de Física del Litoral; Argentina. Universidad Nacional del Litoral. Facultad de Ingeniería Química. Departamento de Materiales; Argentin

Controlled complete suppression of single-atom inelastic spin and orbital cotunnelling

The inelastic portion of the tunnel current through an individual magnetic atom grants unique access to read out and change the atom's spin state, but it also provides a path for spontaneous relaxation and decoherence. Controlled closure of the inelastic channel would allow for the latter to be switched off at will, paving the way to coherent spin manipulation in single atoms. Here we demonstrate complete closure of the inelastic channels for both spin and orbital transitions due to a controlled geometric modification of the atom's environment, using scanning tunnelling microscopy (STM). The observed suppression of the excitation signal, which occurs for Co atoms assembled into chain on a Cu$_2$N substrate, indicates a structural transition affecting the d$_z$$^2$ orbital, effectively cutting off the STM tip from the spin-flip cotunnelling path.Comment: 4 figures plus 4 supplementary figure

Grouping behaviour impacts on the parasitic pressure and squamation of sharks

The evolution of grouping behaviour involves a complex trade-off of benefits and costs. Among the latter, an increase in the risk of parasitic transmission is a well-documented phenomenon that has likely promoted the evolution of defensive mechanisms in aquatic vertebrates. Here, we explore the relationship between grouping behaviour, parasitic richness (∼parasitic pressure), and the evolution of potential defensive traits in the squamation of sharks through phylogenetic, standard and zero-inflation regression models. Our results demonstrate that sharks that frequently aggregate show increased parasitic pressure, which may constitute an agent of selection. Accordingly, their squamation is characterized by large-scale crown insertion angles and low-scale coverage, which are interpreted as traits that compromise parasite attachment and survival. These traits are less evident in regions of the body and ecological groups that are subjected to high abrasive stress or increased drag. Thus, the squamation of sharks responds to a compromise between various functions, where protective and hydrodynamic roles prevail over the rest (e.g. ectoparasitic defence and bioluminescence aiding). This work establishes a quantitative framework for inferring parasitic pressure and social interaction from squamation traits and provides an empirical basis from which to explore these phenomena through early vertebrate and chondrichthyan evolution

Derivation of the spin Hamiltonians for Fe in MgO

Content from this work may be used under the terms of the Creative Commons Attribution 3.0 licence.A method to calculate the effective spin Hamiltonian for a transition metal impurity in a non-magnetic insulating host is presented and applied to the paradigmatic case of Fe in MgO. In the first step we calculate the electronic structure employing standard density functional theory (DFT), based on generalized gradient approximation (GGA), using plane waves as a basis set. The corresponding basis of atomic-like maximally localized Wannier functions is derived and used to represent the DFT Hamiltonian, resulting in a tight-binding model for the atomic orbitals of the magnetic impurity. The third step is to solve, by exact numerical diagonalization, the N electron problem in the open shell of the magnetic atom, including both effects of spin-orbit and Coulomb repulsion. Finally, the low energy sector of this multi-electron Hamiltonian is mapped into effective spin models that, in addition to the spin matrices S, can also include the orbital angular momentum L when appropriate. We successfully apply the method to Fe in MgO, considering both the undistorted and Jahn-Teller (JT) distorted cases. Implications for the influence of Fe impurities on the performance of magnetic tunnel junctions based on MgO are discussed.AF acknowledges funding from the European Union’s Seventh Framework Programme for research, technological development and demonstration, under the PEOPLE programme, Marie Curie COFUND Actions, grant agreement number 600375 and CONICET. JFR acknowledges financial support by Generalitat Valenciana (ACOMP/2010/070), Prometeo, and MEC-Spain (FIS2013-47328-C2-2-P).Peer Reviewe

Aprovechamiento de los materiales no metálicos de Penouta

[Resumen] Se identifican y caracterizan feldespatos y caolin como minerales no metálicos presentes. El primero, mayoritario, se ensaya en la fabricación de porce1ana, obteniéndose buenos resultados. El segundo podria tener aplicación como carga de papel tras su blanqueo quimico, aunque con bajo rendimiento debido a su presencia minoritaria[Abstract] Felspar and kao1in are the non-meta1ic minera1s identified and characterized. The first, main component, is tested in porcelain making, giving good resul ts. The second, mi nor compbnent, could be used as a filter in paper when b1eached, but with a very low yield

Surfactant effect in heteroepitaxial growth. The Pb - Co/Cu(111) case

A MonteCarlo simulations study has been performed in order to study the effect of Pb as surfactant on the initial growth stage of Co/Cu(111). The main characteristics of Co growing over Cu(111) face, i.e. the decorated double layer steps, the multiple layer islands and the pools of vacancies, disappear with the pre-evaporation of a Pb monolayer. Through MC simulations, a full picture of these complex processes is obtained. Co quickly diffuses through the Pb monolayer exchanging place with Cu atoms at the substrate. The exchange process diffusion inhibits the formation of pure Co islands, reducing the surface stress and then the formation of multilayer islands and the pools of vacancies. On the other hand, the random exchange also suppress the nucleation preferential sites generated by Co atoms at Cu steps, responsible of the step decoration.Comment: 4 pages, latex, 2 figures embedded in the tex

Body dimensions of the extinct giant shark Otodus megalodon:A 2D reconstruction

Inferring the size of extinct animals is fraught with danger, especially when they were much larger than their modern relatives. Such extrapolations are particularly risky when allometry is present. The extinct giant shark †Otodus megalodon is known almost exclusively from fossilised teeth. Estimates of †O. megalodon body size have been made from its teeth, using the great white shark (Carcharodon carcharias) as the only modern analogue. This can be problematic as the two species likely belong to different families, and the position of the †Otodus lineage within Lamniformes is unclear. Here, we infer †O. megalodon body dimensions based on anatomical measurements of five ecologically and physiologically similar extant lamniforms: Carcharodon carcharias, Isurus oxyrinchus, Isurus paucus, Lamna ditropis and Lamna nasus. We first assessed for allometry in all analogues using linear regressions and geometric morphometric analyses. Finding no evidence of allometry, we made morphological extrapolations to infer body dimensions of †O. megalodon at different sizes. Our results suggest that a 16 m †O. megalodon likely had a head ~ 4.65 m long, a dorsal fin ~ 1.62 m tall and a tail ~ 3.85 m high. Morphometric analyses further suggest that its dorsal and caudal fins were adapted for swift predatory locomotion and long-swimming periods

Use of nursery areas by the extinct megatooth shark Otodus megalodon (Chondrichthyes: Lamniformes)

Nursery areas are fundamental for the success of many marine species, particularly for large, slow-growing taxa with low fecundity and high age of maturity. Here, we examine the population size-class structure of the extinct gigantic shark Otodus megalodon in a newly described middle Miocene locality from Northeastern Spain, as well as in eight previously known formations (Temblor, Calvert, Pisco, Gatún, Chucunaque, Bahía Inglesa, Yorktown and Bone Valley). In all cases, body lengths of all individuals were inferred from dental parameters and the size-class structure was estimated from kernel probability density functions and Gaussian mixture models. Our analyses support the presence of five potential nurseries ranging from the Langhian (middle Miocene) to the Zanclean (Pliocene), with higher densities of individuals with estimated body lengths within the typical range of neonates and young juveniles. These results reveal, for the first time, that nursery areas were commonly used by O. megalodon over large temporal and spatial scales, reducing early mortality and playing a key role in maintaining viable adult populations. Ultimately, the presumed reliance of O. megalodon on the presence of suitable nursery grounds might have also been determinant in the demise of this iconic top predatory shark