256 resultados para hybrid orbital hydrogenic atomic
Resumo:
This work presents active control of high-frequency vibration using skyhook dampers. The choice of the damper gain and its optimal location is crucial for the effective implementation of active vibration control. In vibration control, certain sensor/actuator locations are preferable for reducing structural vibration while using minimum control effort. In order to perform optimisation on a general built-up structure to control vibration, it is necessary to have a good modelling technique to predict the performance of the controller. The present work exploits the hybrid modelling approach, which combines the finite element method (FEM) and statistical energy analysis (SEA) to provide efficient response predictions at medium to high frequencies. The hybrid method is implemented here for a general network of plates, coupled via springs, to allow study of a variety of generic control design problems. By combining the hybrid method with numerical optimisation using a genetic algorithm, optimal skyhook damper gains and locations are obtained. The optimal controller gain and location found from the hybrid method are compared with results from a deterministic modelling method. Good agreement between the results is observed, whereas results from the hybrid method are found in a significantly reduced amount of time. © 2012 Elsevier Ltd. All rights reserved.
Resumo:
We present an in-depth study of the myriad atomically resolved patterns observed on graphite using the scanning tunnelling microscope (STM) over the past three decades. Through the use of highly resolved atomic resolution images, we demonstrate how the interactions between the different graphene layers comprising graphite affect the local surface atomic charge density and its resulting symmetry orientation, with particular emphasis on interactions that are thermodynamically unstable. Moreover, the interlayer graphene coupling is controlled experimentally by varying the tip-surface interaction, leading to associated changes in the atomic patterns. The images are corroborated by first-principles calculations, further validating our claim that surface graphene displacement, coming both from lateral and vertical displacement of the top graphene layer, forms the basis of the rich variety of atomic patterns observed in STM experiments on graphite.
Resumo:
One-dimensional ferroelectric nanostructures, carbon nanotubes (CNT) and CNTinorganic oxides have recently been studied due to their potential applications for microelectronics. Here, we report coating of a registered array of aligned multi-wall carbon nanotubes (MWCNT) grown on silicon substrates by functional ferroelectric Pb(Zr,Ti)O 3 (PZT) which produces structures suitable for commercial prototype memories. Microstructural analysis reveals the crystalline nature of PZT with small nanocrystals aligned in different directions. First-order Raman modes of MWCNT and PZT/MWCNT/n-Si show the high structural quality of CNT before and after PZT deposition at elevated temperature. PZT exists mostly in the monoclinic Cc/Cm phase, which is the origin of the high piezoelectric response in the system. Lowloss square piezoelectric hysteresis obtained for the 3D bottom-up structure confirms the switchability of the device. Currentvoltage mapping of the device by conducting atomic force microscopy (c-AFM) indicates very low transient current. Fabrication and functional properties of these hybrid ferroelectriccarbon nanotubes is the first step towards miniaturization for future nanotechnology sensors, actuators, transducers and memory devices. © 2012 IOP Publishing Ltd.
Substrate-assisted nucleation of ultra-thin dielectric layers on graphene by atomic layer deposition
Resumo:
We report on a large improvement in the wetting of Al 2O 3 thin films grown by un-seeded atomic layer deposition on monolayer graphene, without creating point defects. This enhanced wetting is achieved by greatly increasing the nucleation density through the use of polar traps induced on the graphene surface by an underlying metallic substrate. The resulting Al 2O 3/graphene stack is then transferred to SiO 2 by standard methods. © 2012 American Institute of Physics.
Resumo:
A hybrid method for the incompressible Navier-Stokes equations is presented. The method inherits the attractive stabilizing mechanism of upwinded discontinuous Galerkin methods when momentum advection becomes significant, equal-order interpolations can be used for the velocity and pressure fields, and mass can be conserved locally. Using continuous Lagrange multiplier spaces to enforce flux continuity across cell facets, the number of global degrees of freedom is the same as for a continuous Galerkin method on the same mesh. Different from our earlier investigations on the approach for the Navier-Stokes equations, the pressure field in this work is discontinuous across cell boundaries. It is shown that this leads to very good local mass conservation and, for an appropriate choice of finite element spaces, momentum conservation. Also, a new form of the momentum transport terms for the method is constructed such that global energy stability is guaranteed, even in the absence of a pointwise solenoidal velocity field. Mass conservation, momentum conservation, and global energy stability are proved for the time-continuous case and for a fully discrete scheme. The presented analysis results are supported by a range of numerical simulations. © 2012 Society for Industrial and Applied Mathematics.
Resumo:
The electronic and magnetic properties of the transition metal sesqui-oxides Cr(2)O(3), Ti(2)O(3), and Fe(2)O(3) have been calculated using the screened exchange (sX) hybrid density functional. This functional is found to give a band structure, bandgap, and magnetic moment in better agreement with experiment than the local density approximation (LDA) or the LDA+U methods. Ti(2)O(3) is found to be a spin-paired insulator with a bandgap of 0.22 eV in the Ti d orbitals. Cr(2)O(3) in its anti-ferromagnetic phase is an intermediate charge transfer Mott-Hubbard insulator with an indirect bandgap of 3.31 eV. Fe(2)O(3), with anti-ferromagnetic order, is found to be a wide bandgap charge transfer semiconductor with a 2.41 eV gap. Interestingly sX outperforms the HSE functional for the bandgaps of these oxides.
Resumo:
Only very few constructed facilities today have a complete record of as-built information. Despite the growing use of Building Information Modelling and the improvement in as-built records, several more years will be required before guidelines that require as-built data modelling will be implemented for the majority of constructed facilities, and this will still not address the stock of existing buildings. A technical solution for scanning buildings and compiling Building Information Models is needed. However, this is a multidisciplinary problem, requiring expertise in scanning, computer vision and videogrammetry, machine learning, and parametric object modelling. This paper outlines the technical approach proposed by a consortium of researchers that has gathered to tackle the ambitious goal of automating as-built modelling as far as possible. The top level framework of the proposed solution is presented, and each process, input and output is explained, along with the steps needed to validate them. Preliminary experiments on the earlier stages (i.e. processes) of the framework proposed are conducted and results are shown; the work toward implementation of the remainder is ongoing.
Resumo:
The formation energies of the oxygen vacancy and titanium interstitial in rutile TiO 2 were calculated by the screened-exchange (sX) hybrid density functional method, which gives a band gap of 3.1 eV, close to the experimental value. The oxygen vacancy gives rise to a gap state lying 0.7 eV below the conduction band edge, whose charge density is localized around the two of three Ti atoms next to the vacancy. The Ti interstitial (Ti int) generates four defect states in the gap, whose unpaired electrons lie on the interstitial and the adjacent Ti 3d orbitals. The formation energy for the neutral oxygen vacancy is 1.9 eV for the O-poor chemical potential. The neutral Ti interstitial has a lower formation energy than the O vacancy under O-poor conditions. This indicates that both the O vacancy and Ti int are relevant for oxygen deficiency in rutile TiO 2 but the O vacancy will dominate under O-rich conditions. This resolves questions about defect localization and defect predominance in the literature. © 2012 American Physical Society.
Resumo:
Distributed hybrid testing is a natural extension to and builds upon the local hybrid testing technique. Taking advantage of the hybrid nature of the test, it allows a sharing of resources and expertise between researchers from different disciplines by connecting multiple geographically distributed sites for joint testing. As part of the UK-NEES project, a successful series of three-site distributed hybrid tests have been carried out between Bristol, Cambridge and Oxford Universities. The first known multi-site distributed hybrid tests in the UK, they connected via a dedicated fibre network, using custom software, the geotechnical centrifuge at Cambridge to structural components at Bristol and Oxford. These experiments were to prove the connection and useful insights were gained into the issues involved with this distributed environment. A wider aim is towards providing a flexible testing framework to facilitate multi-disciplinary experiments such as the accurate investigation of the influence of foundations on structural systems under seismic and other loading. Time scaling incompatibilities mean true seismic soil structure interaction using a centrifuge at g is not possible, though it is clear that distributed centrifuge testing can be valuable in other problems. Development is continuing to overcome the issues encountered, in order to improve future distributed tests in the UK and beyond.
Resumo:
Inorganic-organic (IO) hybrid nano- and microcrystals are fabricated by a low-cost, environmentally friendly and easily scaled-up route. Lead(II) iodide (PbI 2) nano/microcrystals are obtained by solvothermal techniques and subsequent IO hybrid (C 12H 25NH 3) 2PbI 4 crystals are produced by intercalation of the organic moiety. The hexagonally shaped crystals obtained range in size from 20 nm to ∼7 μm. Sequential stacking of inorganic/organic layers in these IO hybrid crystals results in strong room-temperature exciton photoluminescence, wherein the excitons are confined within the inorganic sheets. © 2012 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.