scholarly journals Elucidation of near-resonance vibronic coherence lifetimes by nonadiabatic electronic-vibrational state character mixing

2018 ◽  
Vol 116 (37) ◽  
pp. 18263-18268 ◽  
Author(s):  
Shu-Hao Yeh ◽  
Ross D. Hoehn ◽  
Marco A. Allodi ◽  
Gregory S. Engel ◽  
Sabre Kais

Recent work suggests that the long-lived coherences observed in both natural and artificial light-harvesting systems (such as the Fenna–Matthews–Olson complex) could be attributed to the mixing of the pigments’ electronic and vibrational degrees of freedom. To investigate the underlying mechanism of these long coherence lifetimes, a sophisticated description of interactions between the molecular aggregates and the nonequilibrium fluctuations in the surrounding environment is necessary. This is done by implementing the hierarchical equations of motion approach on model homodimers, a method used in the intermediate coupling regime for many molecular aggregates wherein the nonequilibrium environment phonons play nontrivial roles in exciton dynamics. Here we report a character change in the vibronic states—reflective of property mixing between the electronic and vibrational states—induced by an interplay between system coupling parameters within the exciton-vibrational near-resonance regime. This mixing dictates vital aspects of coherence lifetime; by tracking the degree of mixing, we are able to elucidate the relationship between coherence lifetime and both the electronic energy fluctuation and the vibrational relaxation dephasing pathways.

Author(s):  
Lorenzo Banos Hernandez ◽  
Jose Maria Emperador Alzola

This work condenses various modeling techniques for different Point Absorber configurations. A combined frequency - time domain model will be developed in Matlab-FORTRAN in order to compute the displacement, velocities and the power absorbed in the heave mode. Additionally, a single buoy motion including multiple degrees of freedom will be investigated as well. Therefore, the diffraction-radiation Boundary Element Method solvers NEMOH and BEMIO will be applied in the calculation of the hydrodynamic coefficients, which will determine the solution of Newtons impulse equations of motion. Initially, the Wave to wire model will be validated through comparison with previous experimental results for a submerged cone cylinder shape (Buldra-FO3). A single, generic, vertical floating cylinder will be contemplated then, that responds to the action of the passing waves excitation. Later, two vertical floating cylinders aligned with the incident wave direction will be modeled for a variable distance between the bodies. For both unidirectional regular and irregular waves as an input in deep water, the convolutive radiation force function term will be hereby approximated through the Prony method. By changing the spatial disposition of the axisymmetric buoys, using for instance triangular or diamond shaped arrays of three and four bodies respectively, the study will focus on the interaction effects for regular waves. The results will highlight the most efficient layout for maximizing the energy production whilst providing important insights into their performance, revealing for instance displacement amplification or capture width ratios in near-resonance conditions.


1956 ◽  
Vol 7 (2) ◽  
pp. 156-168 ◽  
Author(s):  
R. E. D. Bishop

SummaryThe classical theory of small harmonic vibrations of a linear damped system embodies the notion of “ viscous damping.” The equations of motion which result are somewhat complicated and, when there are more than two degrees of freedom, they are usually too unwieldy to be of much practical value. When the damping is small, however, approximating assumptions may be made which permit the treatment of systems which are near resonance as if they possess but one degree of freedom. But the effects of making these assumptions are by no means easily assessed, and even their justification is tedious.It is shown that these difficulties may be greatly diminished by postulating hysteretic damping instead of viscous damping; the concept of hysteretic damping has been dealt with in two previous papers. The equations then take a much simpler form and the justification for, and validity of, the foregoing approximations are more easily seen. Moreover, the effects of damping upon the principal modes which the system possesses in the absence of its damping may be elucidated in this way.


1966 ◽  
Vol 25 ◽  
pp. 373
Author(s):  
Y. Kozai

The motion of an artificial satellite around the Moon is much more complicated than that around the Earth, since the shape of the Moon is a triaxial ellipsoid and the effect of the Earth on the motion is very important even for a very close satellite.The differential equations of motion of the satellite are written in canonical form of three degrees of freedom with time depending Hamiltonian. By eliminating short-periodic terms depending on the mean longitude of the satellite and by assuming that the Earth is moving on the lunar equator, however, the equations are reduced to those of two degrees of freedom with an energy integral.Since the mean motion of the Earth around the Moon is more rapid than the secular motion of the argument of pericentre of the satellite by a factor of one order, the terms depending on the longitude of the Earth can be eliminated, and the degree of freedom is reduced to one.Then the motion can be discussed by drawing equi-energy curves in two-dimensional space. According to these figures satellites with high inclination have large possibilities of falling down to the lunar surface even if the initial eccentricities are very small.The principal properties of the motion are not changed even if plausible values ofJ3andJ4of the Moon are included.This paper has been published in Publ. astr. Soc.Japan15, 301, 1963.


2020 ◽  
Vol 1 (1) ◽  
pp. 93-102
Author(s):  
Carsten Strzalka ◽  
◽  
Manfred Zehn ◽  

For the analysis of structural components, the finite element method (FEM) has become the most widely applied tool for numerical stress- and subsequent durability analyses. In industrial application advanced FE-models result in high numbers of degrees of freedom, making dynamic analyses time-consuming and expensive. As detailed finite element models are necessary for accurate stress results, the resulting data and connected numerical effort from dynamic stress analysis can be high. For the reduction of that effort, sophisticated methods have been developed to limit numerical calculations and processing of data to only small fractions of the global model. Therefore, detailed knowledge of the position of a component’s highly stressed areas is of great advantage for any present or subsequent analysis steps. In this paper an efficient method for the a priori detection of highly stressed areas of force-excited components is presented, based on modal stress superposition. As the component’s dynamic response and corresponding stress is always a function of its excitation, special attention is paid to the influence of the loading position. Based on the frequency domain solution of the modally decoupled equations of motion, a coefficient for a priori weighted superposition of modal von Mises stress fields is developed and validated on a simply supported cantilever beam structure with variable loading positions. The proposed approach is then applied to a simplified industrial model of a twist beam rear axle.


Joint Rail ◽  
2004 ◽  
Author(s):  
Mohammad Durali ◽  
Mohammad Mehdi Jalili Bahabadi

In this article a train model is developed for studying train derailment in passing through bends. The model is three dimensional, nonlinear, and considers 43 degrees of freedom for each wagon. All nonlinear characteristics of suspension elements as well as flexibilities of wagon body and bogie frame, and the effect of coupler forces are included in the model. The equations of motion for the train are solved numerically for different train conditions. A neural network was constructed as an element in solution loop for determination of wheel-rail contact geometry. Derailment factor was calculated for each case. The results are presented and show the major role of coupler forces on possible train derailment.


Author(s):  
SD Yu ◽  
BC Wen

This article presents a simple procedure for predicting time-domain vibrational behaviors of a multiple degrees of freedom mechanical system with dry friction. The system equations of motion are discretized by means of the implicit Bozzak–Newmark integration scheme. At each time step, the discontinuous frictional force problem involving both the equality and inequality constraints is successfully reduced to a quadratic mathematical problem or the linear complementary problem with the introduction of non-negative and complementary variable pairs (supremum velocities and slack forces). The so-obtained complementary equations in the complementary pairs can be solved efficiently using the Lemke algorithm. Results for several single degree of freedom and multiple degrees of freedom problems with one-dimensional frictional constraints and the classical Coulomb frictional model are obtained using the proposed procedure and compared with those obtained using other approaches. The proposed procedure is found to be accurate, efficient, and robust in solving non-smooth vibration problems of multiple degrees of freedom systems with dry friction. The proposed procedure can also be applied to systems with two-dimensional frictional constraints and more sophisticated frictional models.


Author(s):  
Shanzhong Duan ◽  
Kurt S. Anderson

Abstract The paper presents a new hybrid parallelizable low order algorithm for modeling the dynamic behavior of multi-rigid-body chain systems. The method is based on cutting certain system interbody joints so that largely independent multibody subchain systems are formed. These subchains interact with one another through associated unknown constraint forces f¯c at the cut joints. The increased parallelism is obtainable through cutting the joints and the explicit determination of associated constraint loads combined with a sequential O(n) procedure. In other words, sequential O(n) procedures are performed to form and solve equations of motion within subchains and parallel strategies are used to form and solve constraint equations between subchains in parallel. The algorithm can easily accommodate the available number of processors while maintaining high efficiency. An O[(n+m)Np+m(1+γ)Np+mγlog2Np](0<γ<1) performance will be achieved with Np processors for a chain system with n degrees of freedom and m constraints due to cutting of interbody joints.


2021 ◽  
Vol 8 (4) ◽  
pp. 691-704
Author(s):  
M. Janane Allah ◽  
◽  
Y. Belaasilia ◽  
A. Timesli ◽  
A. El Haouzi ◽  
...  

In this work, an implicit algorithm is used for analyzing the free dynamic behavior of Functionally Graded Material (FGM) plates. The Third order Shear Deformation Theory (TSDT) is used to develop the proposed model. In this contribution, the formulation is written without any homogenization technique as the rule of mixture. The Hamilton principle is used to establish the resulting equations of motion. For spatial discretization based on Finite Element Method (FEM), a quadratic element with four and eight nodes is adopted using seven degrees of freedom per node. An implicit algorithm is used for solving the obtained problem. To study the accuracy and the performance of the proposed approach, we present comparisons with literature and laminate composite modeling results for vibration natural frequencies. Otherwise, we examine the influence of the exponent of the volume fraction which reacts the plates "P-FGM" and "S-FGM". In addition, we study the influence of the thickness on "E-FGM" plates.


Author(s):  
M.A. Bubenchikov ◽  
◽  
A.M. Bubenchikov ◽  
D.V. Mamontov ◽  
◽  
...  

The aim of this work is to apply classical mechanics to a description of the dynamic state of C20@C80 diamond complex. Endohedral rotations of fullerenes are of great interest due to the ability of the materials created on the basis of onion complexes to accumulate energy at rotational degrees of freedom. For such systems, a concept of temperature is not specified. In this paper, a closed description of the rotation of large molecules arranged in diamond shells is obtained in the framework of the classical approach. This description is used for C20@C80 diamond complex. Two different problems of molecular dynamics, distinguished by a fixing method for an outer shell of the considered bimolecular complex, are solved. In all the cases, the fullerene rotation frequency is calculated. Since a class of possible motions for a single carbon body (molecule) consists of rotations and translational displacements, the paper presents the equations determining each of these groups of motions. Dynamic equations for rotational motions of molecules are obtained employing the moment of momentum theorem for relative motions of the system near the fullerenes’ centers of mass. These equations specify the operation of the complex as a molecular pendulum. The equations of motion of the fullerenes’ centers of mass determine vibrations in the system, i.e. the operation of the complex as a molecular oscillator.


Author(s):  
George Valsamos ◽  
Christos Theodosiou ◽  
Sotirios Natsiavas

Dynamic response related to fatigue prediction of an urban bus is investigated. First, a quite complete model subjected to road excitation is employed in order to extract sufficiently reliable and accurate information in a fast way. The bus model is set up by applying the finite element method, resulting to an excessive number of degrees of freedom. In addition, the bus suspension units involve nonlinear characterstics. A step towards alleviating this difficulty is the application of an appropriate coordinate transformation, causing a drastic reduction in the dimension of the final set of the equations of motion. This allows the application of a systematic numerical methodology leading to direct determination of periodic steady state response of nonlinear models subjected to periodic excitation. Next, typical results were obtained for excitation resulting from selected urban road profiles. These profiles have either a known form or known statistical properties, expressed by an appropriate spatial power spectral density function. In all cases examined, the emphasis was put on investigating ride response. The main attention was focused on identifying areas of the bus suspension and frame subsystems where high stress levels are developed. This information is based on the idea of a nonlinear transfer function and provides the basis for applying suitable criteria in order to perform analyses leading to prediction of fatigue failure.


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