Modeling Water Cluster Anions

A quantum Drude oscillator model was developed by our group to describe excess electrons interacting with water clusters1. This approach uses quantum Drude-oscillators to account for polarization and dispersion interactions between the excess electron and the water molecules. In the present work, the quantum Drude model£¬combined with a modified Thole-type water model with dipole point polarizability, denoted DPP, is used to investigate the (H2O)7- cluster. Several low-energy isomers were characterized, and the finite-temperature properties of the cluster was investigated by means of parallel tempering Monte Carlo simulations

Memristive operation mode of a site-controlled quantum dot floating gate transistor

The authors gratefully acknowledge financial support from the European Union (FPVII (2007-2013) under Grant Agreement No. 318287 Landauer) as well as the state of Bavaria.We have realized a floating gate transistor based on a GaAs/AlGaAs heterostructure with site-controlled InAs quantum dots. By short-circuiting the source contact with the lateral gates and performing closed voltage sweep cycles, we observe a memristive operation mode with pinched hysteresis loops and two clearly distinguishable conductive states. The conductance depends on the quantum dot charge which can be altered in a controllable manner by the voltage value and time interval spent in the charging region. The quantum dot memristor has the potential to realize artificial synapses in a state-of-the-art opto-electronic semiconductor platform by charge localization and Coulomb coupling.Publisher PDFPeer reviewe

The Influence of Electrostatic Truncation on Simulations of Polarizable Systems

Different schemes for the treatment of long-ranged electrostatic interactions will be examined for water simulations using the polarizable fluctuating charge potential. Several different methods are compared, including Ewald sums, potential shifting, spherical truncation and reaction field corrections. For liquid water, properties such as the energy, pressure, dynamics and structure are more sensitive to the treatment of the long-ranged interactions with polarizable than with non-polarizable potentials.Comment: 4 figures, 13 pages, to be published in the Proceedings from the Workshop on Treatment of Electrostatic Interactions in Computer Simulations of Condensed Mediaof Con

Mathematical Estimation of Logical Masking Capability of Majority/Minority Gates Used in Nanoelectronic Circuits

In nanoelectronic circuit synthesis, the majority gate and the inverter form the basic combinational logic primitives. This paper deduces the mathematical formulae to estimate the logical masking capability of majority gates, which are used extensively in nanoelectronic digital circuit synthesis. The mathematical formulae derived to evaluate the logical masking capability of majority gates holds well for minority gates, and a comparison with the logical masking capability of conventional gates such as NOT, AND/NAND, OR/NOR, and XOR/XNOR is provided. It is inferred from this research work that the logical masking capability of majority/minority gates is similar to that of XOR/XNOR gates, and with an increase of fan-in the logical masking capability of majority/minority gates also increases

Millimeter-wave center of curvature test for a fast paraboloid

We describe a technique for measuring the surface profile of a radio telescope with a fast paraboloidal primary. The technique uses a sensor, at the center of curvature of the primary, consisting of a millimeter-wave source and an array of receivers to measure the field in the caustic. The sensor is mounted on the telescope enclosure and it moves with the telescope, so the measurements can be used for continuous, slow, closed-loop control of the surface. Sensor decenter and despace errors, due to wind buffeting and thermal deformation of the sensor support, do not compromise the surface measurements because they result in profile errors that are mainly translation, which has no effect on astronomical observations, or tilt and defocus, which can be measured using astronomical sources. If the position of the sensor is known to 20 μm rms, the surface can be measured to ∼1  μm rms at λ=3  mm

Profiles of electrostatic potential across the water-vapor, ice-vapor and ice-water interfaces

Ice-water, water-vapor interfaces and ice surface are studied by molecular dynamics simulations with the SPC/E model of water molecules having the purpose to estimate the profiles of electrostatic potential across the interfaces. We have proposed a methodology for calculating the profiles of electrostatic potential based on a trial particle, which showed good agreement for the case of electrostatic potential profile of the water-vapor interface of TIP4P model calculated in another way. The measured profile of electrostatic potential for the pure ice-water interface decreases towards the liquid bulk region, which is in agreement with simulations of preferential direction of motion of Li$^{+}$ and F$^{-}$ solute ions at the liquid side of the ice-water interface. These results are discussed in connection with the Workman-Reynolds effect.Comment: 7 pages, 5 figure

The effect of organizational culture on CRM success

Copyright @ 2013 EMCIS.The aim of this paper is to develop a theoretical framework exemplifying the effect of organizational culture on the success of Customer Relationship Management (CRM) systems' implementation. This is deemed significant as yet little research has investigated the role of organizational culture as a critical success factor to CRM implementation. The proposed theoretical framework is developed based on the notion that nurturing an organizational culture that promotes adaptive learning leads to better management of customer information that in turn improves the quality of customer information, which is considered a key contributor to successful implementation of CRM initiatives. The Competing Values Framework (CVF) is used to measure "Organizational Culture" since it has proven its validity in examining the effect of organizational culture on organizational effectiveness and performance