Glass transition and layering effects in confined water: a computer simulation study

Single particle dynamics of water confined in a nanopore is studied through Computer Molecular Dynamics. The pore is modeled to represent the average properties of a pore of Vycor glass. Dynamics is analyzed at different hydration levels and upon supercooling. At all hydration levels and all temperatures investigated a layering effect is observed due to the strong hydrophilicity of the substrate. The time density correlators show, already at ambient temperature, strong deviations from the Debye and the stretched exponential behavior. Both on decreasing hydration level and upon supercooling we find features that can be related to the cage effect typical of a supercooled liquid undergoing a kinetic glass transition. Nonetheless the behavior predicted by Mode Coupling Theory can be observed only by carrying out a proper shell analysis of the density correlators. Water molecules within the first two layers from the substrate are in a glassy state already at ambient temperature (bound water). The remaining subset of molecules (free water) undergoes a kinetic glass transition; the relaxation of the density correlators agree with the main predictions of the theory. From our data we can predict the temperature of structural arrest of free water.Comment: 14 pages, 15 figures inserted in the text, to be published in J. Chem. Phys. (2000

Exploring associations between micro-level models of innovation diffusion and emerging macro-level adoption patterns

A micro-level agent-based model of innovation diffusion was developed that explicitly combines (a) an individual's perception of the advantages or relative utility derived from adoption, and (b) social influence from members of the individual's social network. The micro-model was used to simulate macro-level diffusion patterns emerging from different configurations of micro-model parameters. Micro-level simulation results matched very closely the adoption patterns predicted by the widely-used Bass macro-level model (Bass, 1969). For a portion of the domain, results from micro-simulations were consistent with aggregate-level adoption patterns reported in the literature. Induced Bass macro-level parameters and responded to changes in micro-parameters: (1) increased with the number of innovators and with the rate at which innovators are introduced; (2) increased with the probability of rewiring in small-world networks, as the characteristic path length decreases; and (3) an increase in the overall perceived utility of an innovation caused a corresponding increase in induced and values. Understanding micro to macro linkages can inform the design and assessment of marketing interventions on micro-variables - or processes related to them - to enhance adoption of future products or technologies.Comment: 20 pages, 4 figures and a table of supplementary data. Accepted for publicatio

Modifications of the hydrogen bond network of liquid water in a cylindrical SiO_2 pore

We present results of molecular dynamics simulations of water confined in a silica pore. A cylindrical cavity is created inside a vitreous silica cell with geometry and size similar to the pores of real Vycor glass. The simulations are performed at different hydration levels. At all hydration levels water adsorbs strongly on the Vycor surface; a double layer structure is evident at higher hydrations. At almost full hydration the modifications of the confinement-induced site-site pair distribution functions are in qualitative agreement with neutron diffraction experiment. A decrease in the number of hydrogen bonds between water molecules is observed along the pore radius, due to the tendency of the molecules close to the substrate to form hydrogen-bonds with the hydrophilic pore surface. As a consequence we observe a substrate induced distortion of the H-bond tetrahedral network of water molecules in the regions close to the surface.Comment: Talk presented at "Physics of Liquids: Foundations, Highlights, Challenge", Murau Sept. 1998. To appear in J. Mol. Li

Cadmium and arsenic affect root development in Oryza sativa L. negatively interacting with auxin

Cadmium (Cd) and arsenic (As), non essential, but toxic, elements for animals and plants are frequently present in paddy fields. Oryza sativa L., a staple food for at least the half of world population, easily absorbs As and Cd by the root, and in this organ the pollutants evoke consistent damages, reducing/modifying the root system. Auxins are key hormones in regulating all developmental processes, including root organogenesis. Moreover, plants respond to environmental stresses, such as those caused by Cd and As, by changing levels and distribution of endogenous phytohormones. Even though the effects of Cd and As on the roots have been investigated in some species, it remains necessary to deepen the knowledge about the cross-talk between these toxic elements and auxin during root formation and development, in particular in agronomically important plants, such as rice. Hence, the research goal was to investigate the interactions between Cd and As, alone or combined, and auxin during the development of rice roots. To reach the aim, morphological, histological and histochemical analyses were carried out on seedlings, exposed or not to Cd and/or As, belonging to the wild type and transgenic lines useful for monitoring indole-3-acetic acid (IAA) localization, i.e., OsDR5:GUS, and IAA cellular influx and efflux, i.e., OsAUX1:GUS and OsPIN5b:GUS. Moreover, the transcript levels of the YUCCA2 and ASA2, IAA biosynthetic genes were also monitored in Cd and/or As exposed wild type seedlings. The results highlight that As and Cd affect cyto-histology and morphology of the roots. In particular, they alter the lateral root primordia organization and development with negative consequences on root system architecture. This is due to a disturbance of IAA biosynthesis and transport, as indicated by the altered expression of both ASA2 and YUCCA2 biosynthetic genes, and AUX1 and PIN5b transporter genes

Pyroclasts of the first phases of the explosive-effusive PCCVC volcanic eruption: physicochemical analysis

The morphology, texture, grain size and other physicochemical characteristics of pyroclastic material from the first phases of the Puyehue-Cordon Caulle volcanic complex (PCCVC) eruption, (Southern Andes, Chile), can be associated to the model recently reported for the magma storage and its ascent conditions. The eruption started June 4th 2011, and the studied volcanic material corresponds to that collected in Argentine territory at different distances from the source, between 4 and 12 June 2011. The explosive-effusive volcanic process of the first days occurred with the simultaneous emplacement of lava flows and the venting of pyroclastic material, ejecting two well differentiated types of particles. The more abundant was constituted by rhyolitic and light color pumice fragments, characterized by a typical vesicular texture, easy fragmentation and absence of occluded crystalline phases. Particles found in minor proportion were dark color, different in shape and texture and rich in Fe and Ti. They seemed to be more effective for the interaction with emitted gases in the upper part of the column, for this reason, they appeared partially covered by condensation products. The ascent conditions of the magma affected its rheological behavior through variations in the degassing, viscosity and fragmentation. On the other hand, distance to the source, depositional time, volcanic evolution and environmental conditions are factors that affect the chemical composition of collected ash. So, the SiO2/FeO ratio not only increases with the distance but also with the deposition time and volcanic activity. The work was done with the aid of several techniques such as a laser-sediment analyzer, X-ray diffraction (XRD), chemical analysis (bulk and surface), SEM microscopy and Raman “microprobe” spectroscopy. On the other hand, the physicochemical behavior of the pyroclastic material allows us to suggest eventual applications

Hurricane Matthew in 2100: effects of extreme sea level rise scenarios on a highly valued coastal area (Palm Beach, FL, USA)

Sea-level rise represents a severe hazard for populations living within low-elevation coastal zones and is already largely affecting coastal communities worldwide. As sea level continues to rise following unabated greenhouse gas emissions, the exposure of coastal communities to inundation and erosion will increase exponentially. These impacts will be further magnified under extreme storm conditions. In this paper, we focus on one of the most valuable coastal real estate markets globally (Palm Beach, FL). We use XBeach, an open-source hydro and morphodynamic model, to assess the impact of a major tropical cyclone (Hurricane Matthew, 2016) under three different sea-level scenarios. The first scenario (modern sea level) serves as a baseline against which other model runs are evaluated. The other two runs use different 2100 sea-level projections, localized to the study site: (i) IPCC RCP 8.5 (0.83 m by 2100) and (ii) same as (i), but including enhanced Antarctic ice loss (1.62 m by 2100). Our results show that the effective doubling of future sea level under heightened Antarctic ice loss amplifies flow velocity and wave height, leading to a 46% increase in eroded beach volume and the overtopping of coastal protection structures. This further exacerbates the vulnerability of coastal properties on the island, leading to significant increases in parcel inundation

RESEÑA DE LIBRO: FLORA. PATAGONIA. BOSQUES AUSTRALES: GUÍA PARA LA IDENTIFICACIÓN DE PLANTAS Y SUS HÁBITATS

Claudia Guerrido y Damián Fernández. 2007. Chile. ISBN 978-956-8007-16-4. Editorial Fantástico Sur. Punta Arenas. Esta guía fue presentada en el Salón de Actos del Centro Regional Universitario Bariloche de la Universidad Nacional del Comahue por sus autores: Claudia Guerrido y Damián Fernández. Es una guía de campo muy interesante para todos aquellos que deseen conocer la vegetación de los australes bosques subantárticos, dado que en ella se describen 120 especies de plantas presentes en el extremo sur de la Patagonia y en el Archipiélago Fueguino tanto de Argentina como de Chile

Assessing the relative accuracy of coral heights reconstructed from drones and structure from motion photogrammetry on coral reefs

Low-altitude high-resolution aerial photographs allow for the reconstruction of structural properties of shallow coral reefs and the quantification of their topographic complexity. This study shows the scope and limitations of two-media (air/water) Structure from Motion—Multi-View Stereo reconstruction method using drone aerial photographs to reconstruct coral height. We apply this method in nine different sites covering a total area of about 7000 m2, and we examine the suitability of the method to obtain topographic complexity estimates (i.e., seafloor rugosity). A simple refraction correction and survey design allowed reaching a root mean square error of 0.1 m for the generated digital models of the seafloor (without the refraction correction the root mean square error was 0.2 m). We find that the complexity of the seafloor extracted from the drone digital models is slightly underestimated compared to the one measured with a traditional in situ survey method