Finite field treatment of vibrational polarizabilities and hyperpolarizabilities: on the role of the Eckart conditions, their implementation, and their use in characterizing key vibrations

In the finite field (FF) treatment of vibrational polarizabilities and hyperpolarizabilities, the field-free Eckart conditions must be enforced in order to prevent molecular reorientation during geometry optimization. These conditions are implemented for the first time. Our procedure facilities identification of field-induced internal coordinates that make the major contribution to the vibrational properties. Using only two of these coordinates, quantitative accuracy for nuclear relaxation polarizabilities and hyperpolarizabilities is achieved in π-conjugated systems. From these two coordinates a single most efficient natural conjugation coordinate (NCC) can be extracted. The limitations of this one coordinate approach are discussed. It is shown that the Eckart conditions can lead to an isotope effect that is comparable to the isotope effect on zero-point vibrational averaging, but with a different mass-dependence

Vibrations in Rotating Machinery Arising from Minor Imperfections in Component Geometries

Vibrations in machines can cause noise, decrease the performance, or even damage the machine. Vibrations appear if there is a source of vibration that excites the system. In the worst case scenario, the excitation frequency coincides with the natural frequency of the machine causing resonance. Rotating machines are a machine type, where the excitation arises from the machine itself. The excitation originates from the mass imbalance in the rotating shaft, which always exists in machines that are manufactured using conventional methods. The excitation has a frequency that is dependent on the rotational speed of the machine. The rotating machines in industrial use are usually designed to rotate at a constant rotational speed, the case where the resonances can be easily avoided. However, the machines that have a varying operational speed are more problematic due to a wider range of frequencies that have to be avoided. Vibrations, which frequencies equal to rotational speed frequency of the machine are widely studied and considered in the typical machine design process. This study concentrates on vibrations, which arise from the excitations having frequencies that are multiples of the rotational speed frequency. These vibrations take place when there are two or more excitation components in a revolution of a rotating shaft. The dissertation introduces four studies where three kinds of machines are experiencing vibrations caused by different excitations. The first studied case is a directly driven permanent magnet generator used in a wind power plant. The electromagnetic properties of the generator cause harmonic excitations in the system. The dynamic responses of the generator are studied using the multibody dynamics formulation. In another study, the finite element method is used to study the vibrations of a magnetic gear due to excitations, which frequencies equal to the rotational speed frequency. The objective is to study the effects of manufacturing and assembling inaccuracies. Particularly, the eccentricity of the rotating part with respect to non-rotating part is studied since the eccentric operation causes a force component in the direction of the shortest air gap. The third machine type is a tube roll of a paper machine, which is studied while the tube roll is supported using two different structures. These cases are studied using different formulations. In the first case, the tube roll is supported by spherical roller bearings, which have some wavinesses on the rolling surfaces. Wavinesses cause excitations to the tube roll, which starts to resonate at the frequency that is a half of the first natural frequency. The frequency is in the range where the machine normally operates. The tube roll is modeled using the finite element method and the bearings are modeled as nonlinear forces between the tube roll and the pedestals. In the second case studied, the tube roll is supported by freely rotating discs, which wavinesses are also measured. The above described phenomenon is captured as well in this case, but the simulation methodology is based on the flexible multibody dynamics formulation. The simulation models that are used in both of the last two cases studied are verified by measuring the actual devices and comparing the simulated and measured results. The results show good agreement.

Finite field treatment of vibrational polarizabilities and hyperpolarizabilities: on the role of the Eckart conditions, their implementation, and their use in characterizing key vibrations

In the finite field (FF) treatment of vibrational polarizabilities and hyperpolarizabilities, the field-free Eckart conditions must be enforced in order to prevent molecular reorientation during geometry optimization. These conditions are implemented for the first time. Our procedure facilities identification of field-induced internal coordinates that make the major contribution to the vibrational properties. Using only two of these coordinates, quantitative accuracy for nuclear relaxation polarizabilities and hyperpolarizabilities is achieved in π-conjugated systems. From these two coordinates a single most efficient natural conjugation coordinate (NCC) can be extracted. The limitations of this one coordinate approach are discussed. It is shown that the Eckart conditions can lead to an isotope effect that is comparable to the isotope effect on zero-point vibrational averaging, but with a different mass-dependence

Global attractor for a model of extensible beam with nonlinear damping and source terms

This paper is concerned with the existence of a global attractor for the nonlinear beam equation, with nonlinear damping and source terms, u(tt) + Delta(2)u -M (integral(Omega)vertical bar del u vertical bar(2)dx) Delta u + f(u) + g(u(t)) = h in Omega x R(+), where Omega is a bounded domain of R(N), M is a nonnegative real function and h is an element of L(2)(Omega). The nonlinearities f(u) and g(u(t)) are essentially vertical bar u vertical bar(rho) u - vertical bar u vertical bar(sigma) u and vertical bar u(t)vertical bar(r) u(t) respectively, with rho, sigma, r > 0 and sigma < rho. This kind of problem models vibrations of extensible beams and plates. (C) 2010 Elsevier Ltd. All rights reserved.

Force and displacement transmissibility of a nonlinear isolator with high-static-low-dynamic-stiffness

Engineers often face the challenge of reducing the level of vibrations experienced by a given payload or those transmitted to the support structure to which a vibrating source is attached. In order to increase the range over which vibrations are isolated, soft mounts are often used in practice. The drawback of this approach is the static displacement may be too large for reasons of available space for example. Ideally, a vibration isolator should have a high-static stiffness, to withstand static loads without too large a displacement, and at the same time, a low dynamic stiffness so that the natural frequency of the system is as low as possible which will result in an increased isolation region. These two effects are mutually exclusive in linear isolators but can be overcome if properly configured nonlinear isolators are used. This paper is concerned with the characterisation of such a nonlinear isolator comprising three springs, two of which are configured to reduce the dynamic stiffness of the isolator. The dynamic behaviour of the isolator supporting a lumped mass is investigated using force and displacement transmissibility, which are derived by modelling the dynamic system as a single-degree-of-freedom system. This results in the system dynamics being approximately described by the Duffing equation. For a linear isolator, the dynamics of the system are the same regardless if the source of the excitation is a harmonic force acting on the payload (force transmissibility) or a harmonic motion of the base (displacement transmissibility) on which the payload is mounted. In this paper these two expressions are compared for the nonlinear isolator and it is shown that they differ. A particular feature of the displacement transmissibility is that the response is unbounded at the nonlinear resonance frequency unless the damping in the isolator is greater than some threshold value, which is not the case for force transmissibility. An explanation for this is offered in the paper. (C) 2011 Elsevier Ltd. All rights reserved.

On an Active Control for a Structurally Nonlinear Mechanical System, Taking Into Account an Energy Pumping

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Chaos control of a nonlinear oscillator with shape memory alloy using an optimal linear control: Part II: Nonideal energy source

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

On energy pumping, synchronization and beat phenomenon in a nonideal structure coupled to an essentially nonlinear oscillator

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

On Lugre Friction Model to Mitigate Nonideal Vibrations

In this paper, a nonideal mechanical system with the LuGre friction damping model is considered. The mechanical model of the system is an oscillator not necessarily linear connected with an unbalanced motor of excitation with limited power supply. The control of motion and the attenuation of the Sommerfeld effect of the considered nonideal system are analyzed in this paper The mathematical model of the system is represented by coupled non-linear differential equations. The identification of some interesting nonlinear phenomenon in the transient and steady state motion of the system during the passage through resonance (using applied voltages at dc motor as control parameter) is investigated in detail using numerical simulation. [DOI: 10.1115/1.3124783]

Suppression of vibrations in strongly nonhomogeneous 2DOF systems

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

On energy transfer phenomena, in a nonlinear ideal and nonideal essential vibrating systems, coupled to a (MR) magneto-rheological damper

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

A Short Note on Transverse Vibrations of a Shaft Carrying Two (or One) Disk Excited by a Nonideal Motor

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

On an approximate analytical solution to a nonlinear vibrating problem, excited by a nonideal motor

This paper analyzes through Multiple Scales Method a response of a simplified nonideal and nonlinear vibrating system. Here, one verifies the interactions between the dynamics of the DC motor (excitation) and the dynamics of the foundation (spring, damper, and mass). We remarked that we consider cubic nonlinearity (spring) and quadratic nonlinearity (DC motor) of the same order of magnitude according to experimental results. Both analytical and numerical results that we have obtained had good agreement.

Chaotic vibrations of a nonideal electro-mechanical system

Nonideal systems are those in which one takes account of the influence of the oscillatory system on the energy supply with a limited power (Kononenko, 1969). In this paper, a particular nonideal system is investigated, consisting of a pendulum whose support point is vibrated along a horizontal guide by a two bar linkage driven by a DC motor, considered to be a limited power supply. Under these conditions, the oscillations of the pendulum are analyzed through the variation of a control parameter. The voltage supply of the motor is considered to be a reliable control parameter. Each simulation starts from zero speed and reaches a steady-state condition when the motor oscillates around a medium speed. Near the fundamental resonance region, the system presents some interesting nonlinear phenomena, including multi-periodic, quasiperiodic, and chaotic motion. The loss of stability of the system occurs through a saddle-node bifurcation, where there is a collision of a stable orbit with an unstable one, which is approximately located close to the value of the pendulum's angular displacement given by alpha (C)= pi /2. The aims of this study are to better understand nonideal systems using numerical simulation, to identify the bifurcations that occur in the system, and to report the existence of a chaotic attractor near the fundamental resonance. (C) 2001 Elsevier B.V. Ltd. All rights reserved.

On Nonlinear Dynamics and Control of A Particular Portal Frame Foundation Model, Excited by a Non-Ideal Motor

The nonlinear dynamic response and a nonlinear control method of a particular portal frame foundation for an unbalanced rotating machine with limited power (non-ideal motor) are examined. Numerical simulations are performed for a set of control parameters (depending on the voltage of the motor) related to the static and dynamic characteristics of the motor. The interaction of the structure with the excitation source may lead to the occurrence of interesting phenomena during the forward passage through the several resonance states of the systems. A mathematical model having two degrees of freedom simplifies the non-ideal system. The study of controlling steady-state vibrations of the non-ideal system is based on the saturation phenomenon due to internal resonance.