57 resultados para Theoretical calculation
Resumo:
The authors focus on one of the methods for connection acceptance control (CAC) in an ATM network: the convolution approach. With the aim of reducing the cost in terms of calculation and storage requirements, they propose the use of the multinomial distribution function. This permits direct computation of the associated probabilities of the instantaneous bandwidth requirements. This in turn makes possible a simple deconvolution process. Moreover, under certain conditions additional improvements may be achieved
Resumo:
The radiation distribution function used by Domínguez and Jou [Phys. Rev. E 51, 158 (1995)] has been recently modified by Domínguez-Cascante and Faraudo [Phys. Rev. E 54, 6933 (1996)]. However, in these studies neither distribution was written in terms of directly measurable quantities. Here a solution to this problem is presented, and we also propose an experiment that may make it possible to determine the distribution function of nonequilibrium radiation experimentally. The results derived do not depend on a specific distribution function for the matter content of the system
Resumo:
An analytic method to evaluate nuclear contributions to electrical properties of polyatomic molecules is presented. Such contributions control changes induced by an electric field on equilibrium geometry (nuclear relaxation contribution) and vibrational motion (vibrational contribution) of a molecular system. Expressions to compute the nuclear contributions have been derived from a power series expansion of the potential energy. These contributions to the electrical properties are given in terms of energy derivatives with respect to normal coordinates, electric field intensity or both. Only one calculation of such derivatives at the field-free equilibrium geometry is required. To show the useful efficiency of the analytical evaluation of electrical properties (the so-called AEEP method), results for calculations on water and pyridine at the SCF/TZ2P and the MP2/TZ2P levels of theory are reported. The results obtained are compared with previous theoretical calculations and with experimental values
Resumo:
En aquest projecte es pretén implementar un dispositiu capaç de ser auto-suficient i no dependre de cap tipus de pila, bateria o fil elèctric que l’abasteixi d’energia elèctrica. El dispositiu recol·lectarà la energia magnètica generada per la corrent elèctrica a un fil i la transformarà en energia elèctrica, que serà emmagatzemada per el seu posterior ús. A demès, aquest projecte s’ha desenvolupat en col·laboració amb un segon projecte, dintre del qual s’implementarà una xarxa de sensors, mitjançant el protocol MIWI. Aquest projecte es divideix en tres grans blocs. El primer bloc del projecte serà una introducció teòrica de tots els coneixements relacionats amb el concepte d’energy harvesting i els mecanismes físic implicats. Al segon bloc podrem veure com s’han realitzat els càlculs, simulacions i posada en marxa, dels diferents elements que formaran el dispositiu recol·lector d’energia. Per últim en el tercer bloc veurem el prototip ja implementat. Es valoraran els resultats obtinguts, i es veuran els temps que necessitarà per alimentar al microcontrolador.
Resumo:
Through the history of Electrical Engineering education, vectorial and phasorial diagrams have been used as a fundamental learning tool. At present, computational power has replaced them by long data lists, the result of solving equation systems by means of numerical methods. In this sense, diagrams have been shifted to an academic background and although theoretically explained, they are not used in a practical way within specific examples. This fact may be against the understanding of the complex behavior of the electrical power systems by students. This article proposes a modification of the classical Perrine-Baum diagram construction to allowing both a more practical representation and a better understanding of the behavior of a high-voltage electric line under different levels of load. This modification allows, at the same time, the forecast of the obsolescence of this behavior and line’s loading capacity. Complementary, we evaluate the impact of this tool in the learning process showing comparative undergraduate results during three academic years
Resumo:
In the static field limit, the vibrational hyperpolarizability consists of two contributions due to: (1) the shift in the equilibrium geometry (known as nuclear relaxation), and (2) the change in the shape of the potential energy surface (known as curvature). Simple finite field methods have previously been developed for evaluating these static field contributions and also for determining the effect of nuclear relaxation on dynamic vibrational hyperpolarizabilities in the infinite frequency approximation. In this paper the finite field approach is extended to include, within the infinite frequency approximation, the effect of curvature on the major dynamic nonlinear optical processes
Resumo:
The vibrational configuration interaction method used to obtain static vibrational (hyper)polarizabilities is extended to dynamic nonlinear optical properties in the infinite optical frequency approximation. Illustrative calculations are carried out on H2 O and N H3. The former molecule is weakly anharmonic while the latter contains a strongly anharmonic umbrella mode. The effect on vibrational (hyper)polarizabilities due to various truncations of the potential energy and property surfaces involved in the calculation are examined
Resumo:
Our new simple method for calculating accurate Franck-Condon factors including nondiagonal (i.e., mode-mode) anharmonic coupling is used to simulate the C2H4+X2B 3u←C2H4X̃1 Ag band in the photoelectron spectrum. An improved vibrational basis set truncation algorithm, which permits very efficient computations, is employed. Because the torsional mode is highly anharmonic it is separated from the other modes and treated exactly. All other modes are treated through the second-order perturbation theory. The perturbation-theory corrections are significant and lead to a good agreement with experiment, although the separability assumption for torsion causes the C2 D4 results to be not as good as those for C2 H4. A variational formulation to overcome this circumstance, and deal with large anharmonicities in general, is suggested
Resumo:
Two common methods of accounting for electric-field-induced perturbations to molecular vibration are analyzed and compared. The first method is based on a perturbation-theoretic treatment and the second on a finite-field treatment. The relationship between the two, which is not immediately apparent, is made by developing an algebraic formalism for the latter. Some of the higher-order terms in this development are documented here for the first time. As well as considering vibrational dipole polarizabilities and hyperpolarizabilities, we also make mention of the vibrational Stark effec
Resumo:
A variational approach for reliably calculating vibrational linear and nonlinear optical properties of molecules with large electrical and/or mechanical anharmonicity is introduced. This approach utilizes a self-consistent solution of the vibrational Schrödinger equation for the complete field-dependent potential-energy surface and, then, adds higher-level vibrational correlation corrections as desired. An initial application is made to static properties for three molecules of widely varying anharmonicity using the lowest-level vibrational correlation treatment (i.e., vibrational Møller-Plesset perturbation theory). Our results indicate when the conventional Bishop-Kirtman perturbation method can be expected to break down and when high-level vibrational correlation methods are likely to be required. Future improvements and extensions are discussed
Resumo:
A radiative equation of the Cattaneo–Vernotte type is derived from information theory and the radiative transfer equation. The equation thus derived is a radiative analog of the equation that is used for the description of hyperbolic heat conduction. It is shown, without recourse to any phenomenological assumption, that radiative transfer may be included in a natural way in the framework of extendedirreversible thermodynamics
Resumo:
Many theoretical dissertations have an unclear definition of diversity and when interpreting strategies of organizational diversity policies, theories often contradict each other. It is argued that this ambiguity and controversy can be diminished by basing theory on diversity and diversity policy more on qualitative structured descriptive empirical comparisons.This argument is elaborated in two steps. First, diversity is shown to be a social construction: dynamic and plural in nature, dependent on the social-historical context. Second, the common theoretical dichotomy between diversity policy as equal opportunities or as diversity management in shown to be possibly misleading; empirical studies indicate more practical differentiation in types of diversity policy, manifested in public and private organizations. As qualitative comparisons are rare, especially in the European context and especially among public organizations, this article calls for more contributions of this kind and provides an analytical framework to assist scholars in the field of diversity studies.
Resumo:
We explore a view of the crisis as a shock to investor sentiment that led to the collapse of abubble or pyramid scheme in financial markets. We embed this view in a standard model of thefinancial accelerator and explore its empirical and policy implications. In particular, we show howthe model can account for: (i) a gradual and protracted expansionary phase followed by a suddenand sharp recession; (ii) the connection (or lack of connection!) between financial and real economicactivity and; (iii) a fast and strong transmission of shocks across countries. We also use the modelto explore the role of fiscal policy.
Resumo:
This article analyses the impact of the reference pricesystem on the price-setting strategies of thepharmaceutical firms and on the level of generic usage.This model is the first to take explicitly into accountthe impact of the reference price mechanism on the levelof competition between brand-name and generic drugs andnational pharmaceutical spending. We consider aduopolistic model with one firm producing the brand-namedrug, whose patent has already expired, and the otherproducing the corresponding generic version. We work ina partial equilibrium framework where firms set pricessequentially and consumers face heterogeneous switchingcosts.We show that brand producers compensate thedecline of profits by selling greater quantities insteadof charging higher prices, thus fostering pricecompetition in the pharmaceutical market. This result isa consequence of both the assumption of a verticallydifferentiated model and the introduction of thereference price system.
Resumo:
The aim of this project is to accomplish an application software based on Matlab to calculate the radioelectrical coverage by surface wave of broadcast radiostations in the band of Medium Wave (WM) all around the world. Also, given the location of a transmitting and a receiving station, the software should be able to calculate the electric field that the receiver should receive at that specific site. In case of several transmitters, the program should search for the existence of Inter-Symbol Interference, and calculate the field strenght accordingly. The application should ask for the configuration parameters of the transmitter radiostation within a Graphical User Interface (GUI), and bring back the resulting coverage above a map of the area under study. For the development of this project, it has been used several conductivity databases of different countries, and a high-resolution elevation database (GLOBE). Also, to calculate the field strenght due to groundwave propagation, it has been used ITU GRWAVE program, which must be integrated into a Matlab interface to be used by the application developed.