55 resultados para Local electronic structures
Resumo:
This paper proposes a modification to the ACI 318-02 equivalent frame method of analysis of reinforced concrete flat plate exterior panels. Two existing code methods were examined: ACI 318 and BS 8110. The derivation of the torsional stiffness of the edge strip as proposed by ACI 318 is examined and a more accurate estimate of this value is proposed, based on both theoretical analysis and experimental results. A series of 1/3-scale models of flat plate exterior panels have been tested. Unique experimental results were obtained by measuring strains in reinforcing bars at approximately 200 selected locations in the plate panel throughout the entire loading history. The measured strains were used to calculate curvature and, hence, bending moments; these were used along with moments in the columns to assess the accuracy of the equivalent frame methods. The proposed method leads to a more accurate prediction of the moments in the plate at the column front face, at the panel midspan, and in the edge column. Registered Subscribers: View the full article. This document is available as a free download to qualified members. An electronic (PDF) version is available for purchase and download. Click on the Order Now button to continue with the download.
Resumo:
We report results of first-principles calculations on the thermodynamic stability of different Sr adatom structures that have been proposed to explain some of the observed reconstructions of the (001) surface of strontium titanate (Kubo and Nozoye 2003 Surf Sci. 542 177). From surface free energy calculations, a phase diagram is constructed indicating the range of conditions over which each structure is most stable. These results are compared with Kubo and Nozoye's experimental observations. It is concluded that low Sr adatom coverage structures can only be explained if the surface is far from equilibrium. Intermediate coverage structures are stable only if the surface is in or very nearly in equilibrium with the strontium oxide.
Resumo:
The tight-binding (TB) approach to the modelling of electrical conduction in small structures is introduced. Different equivalent forms of the TB expression for the electrical current in a nanoscale junction are derived. The use of the formalism to calculate the current density and local potential is illustrated by model examples. A first-principles time-dependent TB formalism for calculating current-induced forces and the dynamical response of atoms is presented. An earlier expression for current-induced forces under steady-state conditions is generalized beyond local charge neutrality and beyond orthogonal TB. Future directions in the modelling of power dissipation and local heating in nanoscale conductors are discussed.
Resumo:
A total energy tight-binding model with a basis of just one s state per atom is introduced. It is argued that this simplest of all tight-binding models provides a surprisingly good description of the structural stability and elastic constants of noble metals. By assuming inverse power scaling laws for the hopping integrals and the repulsive pair potential, it is shown that the density matrix in a perfect primitive crystal is independent of volume, and structural energy differences and equations of state are then derived analytically. The model is most likely to be of use when one wishes to consider explicitly and self-consistently the electronic and atomic structures of a generic metallic system, with the minium of computation expense. The relationship to the free-electron jellium model is described. The applicability of the model to other metals is also considered briefly.
Resumo:
We present a self-consistent tight-binding formalism to calculate the forces on individual atoms due to the flow of electrical current in atomic-scale conductors. Simultaneously with the forces, the method yields the local current density and the local potential in the presence of current flow, allowing a direct comparison between these quantities. The method is applicable to structures of arbitrary atomic geometry and can be used to model current-induced mechanical effects in realistic nanoscale junctions and wires. The formalism is implemented within a simple Is tight-binding model and is applied to two model structures; atomic chains and a nanoscale wire containing a vacancy.
Resumo:
This brief examines the application of nonlinear statistical process control to the detection and diagnosis of faults in automotive engines. In this statistical framework, the computed score variables may have a complicated nonparametric distri- bution function, which hampers statistical inference, notably for fault detection and diagnosis. This brief shows that introducing the statistical local approach into nonlinear statistical process control produces statistics that follow a normal distribution, thereby enabling a simple statistical inference for fault detection. Further, for fault diagnosis, this brief introduces a compensation scheme that approximates the fault condition signature. Experimental results from a Volkswagen 1.9-L turbo-charged diesel engine are included.
Resumo:
Local Controller Networks (LCNs) provide nonlinear control by interpolating between a set of locally valid, subcontrollers covering the operating range of the plant. Constructing such networks typically requires knowledge of valid local models. This paper describes a new genetic learning approach to the construction of LCNs directly from the dynamic equations of the plant, or from modelling data. The advantage is that a priori knowledge about valid local models is not needed. In addition to allowing simultaneous optimisation of both the controller and validation function parameters, the approach aids transparency by ensuring that each local controller acts independently of the rest at its operating point. It thus is valuable for simultaneous design of the LCNs and identification of the operating regimes of an unknown plant. Application results from a highly nonlinear pH neutralisation process and its associated neural network representation are utilised to illustrate these issues.
Resumo:
We present experimental results on benchmark problems in 3D cubic lattice structures with the Miyazawa-Jernigan energy function for two local search procedures that utilise the pull-move set: (i) population-based local search (PLS) that traverses the energy landscape with greedy steps towards (potential) local minima followed by upward steps up to a certain level of the objective function; (ii) simulated annealing with a logarithmic cooling schedule (LSA). The parameter settings for PLS are derived from short LSA-runs executed in pre-processing and the procedure utilises tabu lists generated for each member of the population. In terms of the total number of energy function evaluations both methods perform equally well, however. PLS has the potential of being parallelised with an expected speed-up in the region of the population size. Furthermore, both methods require a significant smaller number of function evaluations when compared to Monte Carlo simulations with kink-jump moves. (C) 2009 Elsevier Ltd. All rights reserved.
Resumo:
Periodic loading of 1-D metallodielectric electromagnetic bandgap (MEBG) structures has been rigorously investigated. Miniaturised and broadband MEBG structures have been produced by means of periodically loading a dipole array. A study has been carried out with regard to the loading mechanism, the number of stubs, the topology of the structure and the order of loading. Simulations have been carried out using a method of moments based software. First order uniform loading stubs have yielded a significant size reduction of the MEBG array and the bandwidth has doubled. Good agreement between simulations and measurements has been achieved. The current distribution on the proposed structure has been studied, yielding valuable insight. An interdigital topology has resulted in further miniaturisation and bandwidth enhancement. Fractal-type arrays have been produced after applying second order loading. A maximum miniaturisation of 2.5:1 has been achieved.
Resumo:
This paper presents an optimization-based approach to the design of asymmetrical filter structures having the maximum number of return- or insertion-loss ripples in the passband such as those based upon Chebyshev function prototypes. The proposed approach. has the following advantages over the general purpose optimization techniques adopted previously such as: less frequency sampling is required, optimization is carried out with respect to the Chebyshev (or minimax) criterion, the problem of local minima does not arise, and optimization is usually only required for the passband. When implemented around an accurate circuit simulation, the method can be used to include all the effects of discontinuities, junctions, fringing, etc. to reduce the amount of tuning required in the final filter. The design of asymmetrical ridged-waveguide bandpass filters is considered as an example. Measurements on a fabricated filter confirm the accuracy of the design procedure.
Resumo:
The complete spectrum of eigenwaves including surface plasmon polaritons (SPP), dynamic (bulk) and complex waves in the layered structures containing semiconductor and metallic films has been explored. The effects of loss, geometry and the parameters of dielectric layers on the eigenmode spectrum and, particularly, on the SPP modes have been analysed using both the asymptotic and rigorous numerical solutions of the full-wave dispersion equation. The field and Poynting vector distributions have been examined to identify the modes and elucidate their properties. It has been shown that losses and dispersion of permittivity qualitatively alter the spectral content and the eigenwave properties. The SPP counter-directional power fluxes in the film and surrounding dielectrics have been attributed to vortices of power flow, which are responsible for the distinctive features of SPP modes. It has been demonstrated for the first time that the maximal attainable slow-wave factor of the SPP modes guided by thin Au films at optical frequencies is capped not by losses but the frequency dispersion of the actual Au permittivity. © 2009 EDP Sciences.