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W. I. Baragiola und O. Schuppli 《Fresenius' Journal of Analytical Chemistry》1916,55(8):369-377
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Measurements of electron emission spectra from surfaces of aluminum fluoride impacted by keV noble gas ions show a high-energy structure, peaking around 7 eV that increases in intensity with ion energy. The shape of this structure, identified by Factor Analysis, is independent of the nature and the energy of the impinging ions. We discuss one electron, two electron and plasmon excitation mechanisms and conclude that the high-energy structure results from the autoionization of F? 2p4nl n′l′ excited by electron promotion in close atomic collisions. 相似文献
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CLAUDIA L. PARKER OSCAR N. VENTURA STAN K. BURT RAÚL E. CACHAU 《Molecular physics》2013,111(17):2659-2668
We present a general purpose QM-MM-MD engine (DYNGA) designed to test alternative hybrid Hamiltonians geared towards the treatment of problems of interest in structural biology including the use of experimental data constraints. In this first presentation we use DYNGA to explore the behaviour of a traditional QM-MM approach in the treatment of the water—water interaction. We find the potential energy hypersurface for the water dimer computed with the HF 4–31G*/TIP3P hybrid Hamiltonian tends to be too flat. We also explore the effect of using traditional QM-MM techniques on proton wires and conclude there is a need for improvement, possibly addressed by using polarizable force fields. 相似文献
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We have studied electron emission from Al and Mo surfaces by 4–60 keV Ar+ ions under ultrahigh-vacuum conditions and as a function of oxygen exposure. We found that the dependence of the electron yield γ on oxygen exposure, for a given metal, is similar to that of φ, the work function of the surface. Comparison of the results for Al and Mo shows, however, that the magnitude of the change in γ cannot be attributed solely to a change in φ. We propose that the effect of oxygen exposure on electron emission induced by ions, and by extension by photons and electrons, is related to a change in the escape probability of the electrons over the modified surface barrier, and to the emission of electrons from the oxide layer in the presence of the surface dipole field. 相似文献
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We report recent experimental work on electron emission from clean polycrystalline metal surfaces under ion bombardment. We critically discuss existing theories and point out the presently unsolved problems. 相似文献
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Abstract We analyze the efficiency of the international management of the Bay of Biscay anchovy. While a sharing agreement between France and Spain has been in place since 1992, the fish stock collapsed in 2005 and the fishery closed from 2005 to spring 2010. We consider differences in production technologies between both countries and calibrate our model using data from 1987 to 2009. Our results suggest two sources of rent dissipation under the existing sharing agreement: inefficient quota allocation and production inefficiencies due to inflexible national regulations. We discuss several alternatives to improve management. 相似文献
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Characterization of porosity in vapor-deposited amorphous solid water from methane adsorption 总被引:2,自引:0,他引:2
We have characterized the porosity of vapor-deposited amorphous solid water (ice) films deposited at 30-40 K using several complementary techniques such as quartz crystal microgravimetry, UV-visible interferometry, and infrared reflectance spectrometry in tandem with methane adsorption. The results, inferred from the gas adsorption isotherms, reveal the existence of microporosity in all vapor-deposited films condensed from both diffuse and collimated water vapor sources. Films deposited from a diffuse source show a step in the isotherms and much less adsorption at low pressures than films deposited from a collimated source with the difference increasing with film thickness. Ice films deposited from a collimated vapor source at 77 degrees incidence are mesoporous, in addition to having micropores. Remarkably, mesoporosity is retained upon warming to temperatures as high as 140 K where the ice crystallized. The binding energy distribution for methane adsorption in the micropores of ice films deposited from a collimated source peaks at approximately 0.083 eV for deposition at normal incidence and at approximately 0.077 eV for deposition at >45 degrees incidence. For microporous ice, the intensity of the infrared bands due to methane molecules on dangling OH bonds on pore surfaces increases linearly with methane uptake, up to saturation adsorption. This shows that the multilayer condensation of methane does not occur inside the micropores. Rather, filling of the core volume results from coating the pore walls with the first layer of methane, indicating pore widths below a few molecular diameters. For ice deposited at 77 degrees incidence, the increase in intensity of the dangling bond absorptions modified by methane adsorption departs from linearity at large uptakes. 相似文献