Introducing energy broadening in semiclassical Monte Carlo simulations

Combining an insight on the quantum transport given by the Wigner function formalism and the classical perturbation theory, an algorithm has been developed that allows the introduction of collisional broadening in semiclassical electron transport Monte Carlo (MC) simulations. In the proposed algorithm, electron energy and momentum are treated as independent variables; the laws of energy and momentum conservation are fulfilled at each scattering event, but the relationship between energy and momentum is not given by the traditional expression, since Bloch states are not eigenstates of the total Hamiltonian. The results obtained for a simple model semiconductor demonstrate that the non-physical instabilities observed in previous attempts to introduce collisional broadening in semiclassical MC simulations have been removed. The algorithm is suitable for application in MC simulations of realistic device models.     

Deposition of SiO2 films with high laser damage thresholds by ion-assisted electron-beam evaporation

SiO(2) thin films ( approximately 100 nm thick) with transmittivity and a laser damage threshold nearly equal to those of bulk material are deposited on silica substrates by the technique of ion-assisted electron-beam evaporation. The influence of film packing density on the laser damage threshold is investigated by the technique of photoacoustic probe beam deflection. It is shown that films with lower packing density may have a higher laser damage threshold and as a consequence better heat dissipation.     

Downlink cross‐layer scheduling strategies for long‐term evolution and long‐term evolution‐advanced systems

The most recent trend in the Information and Communication Technology world is toward an ever growing demand of mobile heterogeneous services that imply the management of different quality of service requirements and priorities among different type of users. The long‐term evolution (LTE)/LTE‐advanced standards have been introduced aiming to cope with this challenge. In particular, the resource allocation problem in downlink needs to be carefully considered. Herein, a solution is proposed by resorting to a modified multidimensional multiple‐choice knapsack problem modeling, leading to an efficient solution. The proposed algorithm is able to manage different traffic flows taking into account users priority, queues delay, and channel conditions achieving quasi‐optimal performance results with a lower complexity. The numerical results show the effectiveness of the proposed solution with respect to other alternatives. Copyright © 2013 John Wiley & Sons, Ltd.     

Preparation and Characterization of Hybrid Nanocomposite Coatings by Cationic UV‐Curing and the Sol‐Gel Process of a Vinyl Ether Based System

Organic/inorganic hybrid nanocomposite coatings were prepared through a dual‐cure process involving the cationic photopolymerization of a vinyl ether based system and the condensation of an alkoxysilane inorganic precursor. All formulations produced transparent cured films characterized by high gel contents. An increase in glass transition temperature and an increase in storage modulus above T_g in the rubbery plateau were observed with increasing TEOS content in the photocurable formulation. TEM micrographs showed that the organic and inorganic phases were strictly interconnected with no macroscopic phase separation; the sizes of the silica domains in the polymeric matrix were 3–5 nm.

     

Accuracy of three‐dimensional analysis of regularized singularities

In computational mechanics, the quadrature of discontinuous and singular functions is often required. To avoid specialized quadrature procedures, discontinuous and singular fields can be regularized. However, regularization changes the algebraic structure of the solving equations, and this can lead to high errors. We show how to acquire accurate and consistent results when regularization is carried out. A three‐dimensional analysis of a tensile butt joint is performed through a regularized extended finite element method. The accuracy obtained via Gaussian quadrature is compared with that obtained by means of CUBPACK adaptive quadrature FORTRAN tool. The use of regularized functions with non‐compact and compact support is investigated through an error evaluation procedure based on the use of their Fourier transform. The proposed procedure leads to the remarkable conclusion that regularized delta functions with non‐compact support exhibit superior performance. Copyright © 2014 John Wiley & Sons, Ltd.     

A fractional rate‐dependent cohesive‐zone model

This paper presents a novel formulation of a hereditary cohesive zone model able to effectively capture rate‐dependent crack propagation along a defined interface, over a wide range of applied loading rates and with a single set of seven input parameters only, as testified by the remarkable agreement with experimental results in the case of a double cantilever beam made of steel adherends bonded along a rubber interface. The formulation relies on the assumption that the measured fracture energy is the sum of a rate‐independent ‘rupture’ energy, related to the rupture of primary bonds at the atomic or molecular level, and of additional dissipation caused by other rate‐dependent dissipative mechanisms present in the material and occurring simultaneously to rupture. The first contribution is accounted for by introducing a damage‐type internal variable, whose evolution follows a rate‐independent law for consistency with the assumption of rate independence of the rupture energy. To account for the additional dissipation, a fractional‐calculus‐based linear viscoelastic model is used, because for many polymers, it is known to capture the material response within an extremely wide range of strain rates much more effectively than classic models based on an exponential kernel. To the authors' knowledge, this is the first application of fractional viscoelasticity to the simulation of fracture. © 2015 The Authors. International Journal for Numerical Methods in Engineering published by John Wiley & Sons Ltd.     

Effect of Surface Coating on the Photocatalytic Function of Hybrid CdS–Au Nanorods

Hybrid semiconductor–metal nanoparticles are interesting materials for use as photocatalysts due to their tunable properties and chemical processibility. Their function in the evolution of hydrogen in photocatalytic water splitting is the subject of intense current investigation. Here, the effects of the surface coatings on the photocatalytic function are studied, with Au‐tipped CdS nanorods as a model hybrid nanoparticle system. Kinetic measurements of the hydrogen evolution rate following photocatalytic water reduction are performed on similar nanoparticles but with different surface coatings, including various types of thiolated alkyl ligands and different polymer coatings. The apparent hydrogen evolution quantum yields are found to strongly depend on the surface coating. The lowest yields are observed for thiolated alkyl ligands. Intermediate values are obtained with L‐glutathione and poly(styrene‐co‐maleic anhydride) polymer coatings. The highest efficiency is obtained for polyethylenimine (PEI) polymer coating. These pronounced differences in the photocatalytic efficiencies are correlated with ultrafast transient absorption spectroscopy measurements, which show a faster bleach recovery for the PEI‐coated hybrid nanoparticles, consistent with faster and more efficient charge separation. These differences are primarily attributed to the effects of surface passivation by the different coatings affecting the surface trapping of charge carriers that compete with effective charge separation required for the photocatalysis. Further support of this assignment is provided from steady‐state emission and time‐resolved spectral measurements, performed on related strongly fluorescing CdSe/CdS nanorods. The control and understanding of the effect of the surface coating of the hybrid nanosystems on the photocatalytic processes is of importance for the potential application of hybrid nanoparticles as photocatalysts.     

Characteristics of a Graphene Nanoplatelet Anode in Advanced Lithium‐Ion Batteries Using Ionic Liquid Added by a Carbonate Electrolyte

A Cu‐supported, graphene nanoplatelet (GNP) electrodes are reported a as high performance anode in lithium ion battery. The electrode precursor is an easy‐to‐handle aqueous ink cast on cupper foil and following dried in air. The scanning electron microscopy evidences homogeneous, micrometric flakes‐like morphology. Electrochemical tests in conventional electrolyte reveal a capacity of about 450 mAh g⁻¹ over 300 cycles, delivered at a current rate as high as 740 mA g⁻¹. The graphene‐based electrode is characterized using a N‐butyl‐N‐methyl‐pyrrolidiniumbis (trifluoromethanesulfonyl) imide, lithium‐bis(trifluoromethanesulfonyl)imide (Py_1,4TFSI–LiTFSI) ionic liquid‐based solution added by ethylene carbonate (EC): dimethyl carbonate (DMC). The Li‐electrolyte interface is investigated by galvanostatic and potentiostatic techniques as well as by electrochemical impedance spectroscopy, in order to allow the use of the graphene‐nanoplatelets as anode in advanced lithium‐ion battery. Indeed, the electrode is coupled with a LiFePO₄ cathode in a battery having a relevant safety content, due to the ionic liquid‐based electrolyte that is characterized by an ionic conductivity of the order of 10⁻² S cm⁻¹, a transference number of 0.38 and a high electrochemical stability. The lithium ion battery delivers a capacity of the order of 150 mAh g⁻¹ with an efficiency approaching 100%, thus suggesting the suitability of GNPs anode for application in advanced configuration energy storage systems.     

Design and implementation of switched coil LC‐VCOs in the GHz range using the self‐inductance technique

This paper presents the design and implementation of dual‐band LC‐VCOs in the GHz‐range featuring a switched coil LC‐tank. The proposed design exploits the self‐inductance technique. The design of the coil starts from simple considerations and back‐of‐the‐envelope calculations, then electromagnetic simulations are used to optimize the coil layout. The sizing of the switch and its impact on the VCO performance are addressed as well. The VCOs have been implemented in 65 nm CMOS technology. Good correlation between simulated and measured tuning range and phase noise is obtained for all designs, thus confirming the validity and robustness of the design methodology and coil models. Copyright © 2013 John Wiley & Sons, Ltd.