Accurate ab initio potential energy surfaces for the (3)A '' and (3)A ' electronic states of the O(P-3) plus HBr system

In this work, we report the construction of potential energy surfaces for the (3)A '' and (3)A' states of the system O(P-3) + HBr. These surfaces are based on extensive ab initio calculations employing the MRCI+Q/CBS+SO level of theory. The complete basis set energies were estimated from extrapolation of MRCI+Q/aug-cc-VnZ(-PP) (n = Q, 5) results and corrections due to spin-orbit effects obtained at the CASSCF/aug-cc-pVTZ(-PP) level of theory. These energies, calculated over a region of the configuration space relevant to the study of the reaction O(P-3) + HBr -> OH + Br, were used to generate functions based on the many-body expansion. The three-body potentials were interpolated using the reproducing kernel Hilbert space method. The resulting surface for the (3)A '' electronic state contains van der Waals minima on the entrance and exit channels and a transition state 6.55 kcal/mol higher than the reactants. This barrier height was then scaled to reproduce the value of 5.01 kcal/mol, which was estimated from coupled cluster benchmark calculations performed to include high-order and core-valence correlation, as well as scalar relativistic effects. The (3)A' surface was also scaled, based on the fact that in the collinear saddle point geometry these two electronic states are degenerate. The vibrationally adiabatic barrier heights are 3.44 kcal/mol for the (3)A '' and 4.16 kcal/mol for the (3)A' state. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4705428]

PD controller synthesis from open-loop response measurements of rotating system

In this work, a method of computing PD stabilising gains for rotating systems is presented based on the D-decomposition technique, which requires the sole knowledge of frequency response functions. By applying this method to a rotating system with electromagnetic actuators, it is demonstrated that the stability boundary locus in the plane of feedback gains can be easily plotted, and the most suitable gains can be found to minimise the resonant peak of the system. Experimental results for a Laval rotor show the feasibility of not only controlling lateral shaft vibration and assuring stability, but also helps in predicting the final vibration level achieved by the closed-loop system. These results are obtained based solely on the input-output response information of the system as a whole.

Application of H-infinity Theory to a 6 DOF Flight Simulator Motion Base

The purpose of this study is to apply inverse dynamics control for a six degree of freedom flight simulator motion system. Imperfect compensation of the inverse dynamic control is intentionally introduced in order to simplify the implementation of this approach. The control strategy is applied in the outer loop of the inverse dynamic control to counteract the effects of imperfect compensation. The control strategy is designed using H-infinity theory. Forward and inverse kinematics and full dynamic model of a six degrees of freedom motion base driven by electromechanical actuators are briefly presented. Describing function, acceleration step response and some maneuvers computed from the washout filter were used to evaluate the performance of the controllers.

Mathematical modeling and analysis of the particle interactions in the direct filtration using the colloidal theory

This work used the colloidal theory to describe forces and energy interactions of colloidal complexes in the water and those formed during filtration run in direct filtration. Many interactions of particle energy profiles between colloidal surfaces for three geometries are presented here in: spherical, plate and cylindrical; and four surface interactions arrangements: two cylinders, two spheres, two plates and a sphere and a plate. Two different situations were analyzed, before and after electrostatic destabilization by action of the alum sulfate as coagulant in water studies samples prepared with kaolin. In the case were used mathematical modeling by extended DLVO theory (from the names: Derjarguin-Landau-Verwey-Overbeek) or XDLVO, which include traditional approach of the electric double layer (EDL), surfaces attraction forces or London-van der Waals (LvdW), esteric forces and hydrophobic forces, additionally considering another forces in colloidal system, like molecular repulsion or Born Repulsion and Acid-Base (AB) chemical function forces from Lewis.

Quantum state tomography and quantum logical operations in a three qubits NMR quadrupolar system

In this work, we present an implementation of quantum logic gates and algorithms in a three effective qubits system, represented by a (I = 7/2) NMR quadrupolar nuclei. To implement these protocols we have used the strong modulating pulses (SMP) and the various stages of each implementation were verified by quantum state tomography (QST). The results for the computational base states, Toffolli logic gates, and Deutsch-Jozsa and Grover algorithms are presented here. Also, we discuss the difficulties and advantages of implementing such protocols using the SMP technique in quadrupolar systems.

A review and evaluation on constructive heuristics to optimise product mix based on the Theory of Constraints

In this paper, we address the problem of defining the product mix in order to maximise a system's throughput. This problem is well known for being NP-Complete and therefore, most contributions to the topic focus on developing heuristics that are able to obtain good solutions for the problem in a short CPU time. In particular, constructive heuristics are available for the problem such as that by Fredendall and Lea, and by Aryanezhad and Komijan. We propose a new constructive heuristic based on the Theory of Constraints and the Knapsack Problem. The computational results indicate that the proposed heuristic yields better results than the existing heuristic.

Algebraic-graph method for identification of islanding in power system grids

In this paper, a new algebraic-graph method for identification of islanding in power system grids is proposed. The proposed method identifies all the possible cases of islanding, due to the loss of a equipment, by means of a factorization of the bus-branch incidence matrix. The main features of this new method include: (i) simple implementation, (ii) high speed, (iii) real-time adaptability, (iv) identification of all islanding cases and (v) identification of the buses that compose each island in case of island formation. The method was successfully tested on large-scale systems such as the reduced south Brazilian system (45 buses/72 branches) and the south-southeast Brazilian system (810 buses/1340 branches). (C) 2011 Elsevier Ltd. All rights reserved.

Reference model for implementing an MRP system in a highly diverse component and seasonal lean production environment

Companies are currently choosing to integrate logics and systems to achieve better solutions. These combinations also include companies striving to join the logic of material requirement planning (MRP) system with the systems of lean production. The purpose of this article was to design an MRP as part of the implementation of an enterprise resource planning (ERP) in a company that produces agricultural implements, which has used the lean production system since 1998. This proposal is based on the innovation theory, theory networks, lean production systems, ERP systems and the hybrid production systems, which use both components and MRP systems, as concepts of lean production systems. The analytical approach of innovation networks enables verification of the links and relationships among the companies and departments of the same corporation. The analysis begins with the MRP implementation project carried out in a Brazilian metallurgical company and follows through the operationalisation of the MRP project, until its production stabilisation. The main point is that the MRP system should help the company's operations with regard to its effective agility to respond in time to demand fluctuations, facilitating the creation process and controlling the branch offices in other countries that use components produced in the matrix, hence ensuring more accurate estimates of stockpiles. Consequently, it presents the enterprise knowledge development organisational modelling methodology in order to represent further models (goals, actors and resources, business rules, business process and concepts) that should be included in this MRP implementation process for the new configuration of the production system.

An integrated approach to remanufacturing: model of a remanufacturing system

Remanufacturing is the process of rebuilding used products that ensures that the quality of remanufactured products is equivalent to that of new ones. Although the theme is gaining ground, it is still little explored due to lack of knowledge, the difficulty of visualizing it systemically, and implementing it effectively. Few models treat remanufacturing as a system. Most of the studies still treated remanufacturing as an isolated process, preventing it from being seen in an integrated manner. Therefore, the aim of this work is to organize the knowledge about remanufacturing, offering a vision of remanufacturing system and contributing to an integrated view about the theme. The methodology employed was a literature review, adopting the General Theory of Systems to characterize the remanufacturing system. This work consolidates and organizes the elements of this system, enabling a better understanding of remanufacturing and assisting companies in adopting the concept.

Application of H∞ theory to a 6 DOF flight simulator motion base

The purpose of this study is to apply inverse dynamics control for a six degree of freedom flight simulator motion system. Imperfect compensation of the inverse dynamic control is intentionally introduced in order to simplify the implementation of this approach. The control strategy is applied in the outer loop of the inverse dynamic control to counteract the effects of imperfect compensation. The control strategy is designed using H∞ theory. Forward and inverse kinematics and full dynamic model of a six degrees of freedom motion base driven by electromechanical actuators are briefly presented. Describing function, acceleration step response and some maneuvers computed from the washout filter were used to evaluate the performance of the controllers.