998 resultados para Atomic processes


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EXTRACT (SEE PDF FOR FULL ABSTRACT): The suppression of primary productivity observed in eastern boundary ecosystems of the Pacific during El Nino episodes does not occur throughout the Gulf of California. On the contrary, analysis of the modern siliceous phytoplankton record from annually layered sediments and compilation of available primary productivity measurements indicate that production is significantly increased in the central Gulf during El Nino years compared to anti-El Nino years. Integrated observations of biological and physical variability during the spring of 1983, under the influence of the strong El Nino, show that very high primary productivity occurred along the eastern margin of the central Gulf. This resulted from the upwelling of a nutrient rich source provided by the locally formed Gulf water mass originating in the northern Gulf. Lower productivity and phytoplankton biomass were associated with the anomalous penetration of Tropical Surface Water along the western side of the Gulf.

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We describe a method to explore the configurational phase space of chemical systems. It is based on the nested sampling algorithm recently proposed by Skilling (AIP Conf. Proc. 2004, 395; J. Bayesian Anal. 2006, 1, 833) and allows us to explore the entire potential energy surface (PES) efficiently in an unbiased way. The algorithm has two parameters which directly control the trade-off between the resolution with which the space is explored and the computational cost. We demonstrate the use of nested sampling on Lennard-Jones (LJ) clusters. Nested sampling provides a straightforward approximation for the partition function; thus, evaluating expectation values of arbitrary smooth operators at arbitrary temperatures becomes a simple postprocessing step. Access to absolute free energies allows us to determine the temperature-density phase diagram for LJ cluster stability. Even for relatively small clusters, the efficiency gain over parallel tempering in calculating the heat capacity is an order of magnitude or more. Furthermore, by analyzing the topology of the resulting samples, we are able to visualize the PES in a new and illuminating way. We identify a discretely valued order parameter with basins and suprabasins of the PES, allowing a straightforward and unambiguous definition of macroscopic states of an atomistic system and the evaluation of the associated free energies.

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With recent developments in carbon-based electronics, it is imperative to understand the interplay between the morphology and electronic structure in graphene and graphite. We demonstrate controlled and repeatable vertical displacement of the top graphene layer from the substrate mediated by the scanning tunneling microscopy (STM) tip-sample interaction, manifested at the atomic level as well as over superlattices spanning several tens of nanometers. Besides the full-displacement, we observed the first half-displacement of the surface graphene layer, confirming that a reduced coupling rather than a change in lateral layer stacking is responsible for the triangular/honeycomb atomic lattice transition phenomenon, clearing the controversy surrounding it. Furthermore, an atomic scale mechanical stress at a grain boundary in graphite, resulting in the localization of states near the Fermi energy, is revealed through voltage-dependent imaging. A method of producing graphene nanoribbons based on the manipulation capabilities of the STM is also implemented.

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This report presents the results of a two-year investigation and summary of oceanographic satellite data obtained from multiple operational data providers and sources, spanning years of operational data collection. Long-term summaries of Sea Surface Temperature (SST) and SST fronts, Sea Surface Height Anomalies (SSHA), surface currents, ocean color chlorophyll and turbidity, and winds are provided. Merged satellite oceanographic data revealed information on: (1) seasonal cycles and timing of transition periods; (2) linkages between seasonal effects (warming and cooling), upwelling processes and transport; and (3) nutrient/sediment sources, sinks, and physical limiting factors controlling surface response for Olympic Coast marine environments. These data and information can be used for building relevant hind cast models, ecological forecasts, and regional environmental indices (e.g. upwelling, climate, “hot spot”) on biological distribution and/or response in the PNW.