930 resultados para Molecules - Models - Computer simulation


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The ability of neural networks to realize some complex nonlinear function makes them attractive for system identification. This paper describes a novel barrier method using artificial neural networks to solve robust parameter estimation problems for nonlinear model with unknown-but-bounded errors and uncertainties. This problem can be represented by a typical constrained optimization problem. More specifically, a modified Hopfield network is developed and its internal parameters are computed using the valid-subspace technique. These parameters guarantee the network convergence to the equilibrium points. A solution for the robust estimation problem with unknown-but-bounded error corresponds to an equilibrium point of the network. Simulation results are presented as an illustration of the proposed approach.

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In three-dimensional trapped Bose-Einstein condensate (BEC), described by the time-dependent Gross-Pitaevskii-Ginzburg equation, we study the effect of initial conditions on stability using a Gaussian variational approach and exact numerical simulations. We also discuss the validity of the criterion for stability suggested by Vakhitov and Kolokolov. The maximum initial chirp (initial focusing defocusing of cloud) that can lead a stable condensate to collapse even before the number of atoms reaches its critical limit is obtained for several specific cases. When we consider two- and three-body nonlinear terms, with negative cubic and positive quintic terms, we have the conditions for the existence of two phases in the condensate. In this case, the magnitude of the oscillations between the two phases are studied considering sufficient large initial chirps. The occurrence of collapse in a BEC with repulsive two-body interaction is also shown to be possible.

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This paper deals with hybrid method for transient stability analysis combining time domain simulation and a direct method. Nowadays, the step-by-step simulation is the best available tool for allowing the uses of detailed models and for providing reliable results. The main limitation of this approach involves the large time of computational simulations and the absence of stability margin. On the other hand, direct methods, that demand less CPU time, did not show ample reliability and applicability yet. The best way seems to be using hybrid solutions, in which a direct method is incorporated in a time domain simulation tool. This work has studied a direct method using the transient potential and kinetic energy of the critical machine only. In this paper the critical machine is identified by a fast and efficient method, and the proposal is new for using to get stability margins from hybrid approaches. Results from systems, like 16-machine, show stability indices to dynamic security assessment. © 2001 IEEE.

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In this work it is introduced a new approach to calculate the density of liquids in terms of the energies of the acoustic signals. This method is compared to other methods in the time domain (peak-to-peak amplitudes) and frequency domain magnitudes at a single frequency. It is used a measurement cell based on a multiple reflection technique, and it is developed an acoustic model for the cell. Simulations and experiments using several liquids are presented, showing that the energy method a less sensitive to noise than the other techniques. The relative errors in the density are smaller than 0.2% when compared to the values measured with a pycnometer.

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This work analyzes an active fuzzy logic control system in a Rijke type pulse combustor. During the system development, a study of the existing types of control for pulse combustion was carried out and a simulation model was implemented to be used with the package Matlab and Simulink. Blocks which were not available in the simulator library were developed. A fuzzy controller was developed and its membership functions and inference rules were established. The obtained simulation showed that fuzzy logic is viable in the control of combustion instabilities. The obtained results indicated that the control system responded to pulses in an efficient and desirable way. It was verified that the system needed approximately 0.2 s to increase the tube internal pressure from 30 to 90 mbar, with an assumed total delay of 2 ms. The effects of delay variation were studied. Convergence was always obtained and general performance was not affected by the delay. The controller sends a pressure signal in phase with the Rijke tube internal pressure signal, through the speakers, when an increase the oscillations pressure amplitude is desired. On the other hand, when a decrease of the tube internal pressure amplitude is desired, the controller sends a signal 180° out of phase.

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Numerical simulations based on the time-dependent mean-field Gross-Pitaevskii equation was performed to explain the dynamics of collapsing and exploding Bose-Einstein condensates (BEC) of 85Rb atoms. The atomic interaction was manipulated by an external magnetic field via a Feshbach resonance. On changing the scattering length of atomic interaction from a positive to a large negative value, the condensate collapsed and ejected atoms via explosion.

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The advent of molecular markers has created opportunities for a better understanding of quantitative inheritance and for developing novel strategies for genetic improvement of agricultural species, using information on quantitative trait loci (QTL). A QTL analysis relies on accurate genetic marker maps. At present, most statistical methods used for map construction ignore the fact that molecular data may be read with error. Often, however, there is ambiguity about some marker genotypes. A Bayesian MCMC approach for inferences about a genetic marker map when random miscoding of genotypes occurs is presented, and simulated and real data sets are analyzed. The results suggest that unless there is strong reason to believe that genotypes are ascertained without error, the proposed approach provides more reliable inference on the genetic map.

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A CMOS low-voltage, wide-band continuous-time current amplifier is presented. Based on an open-loop topology, the circuit is composed by transresistance and transconductance stages built around triode-operating transistors. In addition to an extended dynamic range, the amplifier gain can be programmed within good accuracy by the rapport between the aspect-ratio of such transistors and tuning biases Vxand Vy. A balanced current-amplifier according to a single I. IV-supply and a 0.35μm fabrication process is designed. Simulated results from PSPiCE and Bsm3v3 models indicate a programmable gain within the range 20-34dB and a minimum break-frequency of IMHz @CL=IpF. For a 200 μApp-level, THD is 0.8% and 0.9% at IKHz and 100KHz, respectively. Input noise is 405pA√Hz @20dB-gain, which gives a SNR of 66dB @1MHz-bandwidth. Maximum quiescent power consumption is 56μ W. © 2002 IEEE.

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The criteria for the occurrence of roll wave phenomenon in the supercritical and turbulent Newtonian and non-Newtonian flows from the engineering point of view was analyzed. Imposing a constant discharge at the upstream of the canal and superposing a small perturbation, it was observed that roll waves can be developed more easily for small wave numbers and for high cohesions. Moreover, from the mathematical model used, it was demonstrated that the numerical viscosity was 10 times the physical viscosity.

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Water waves generated by landslides were long menace in certain localities and the study of this phenomenon were carried out at an accelerated rate in the last decades. Nevertheless, the phase of wave creation was found to be very complex. As such, a numerical model based on Boussinesq equations was used to describe water waves generated by local disturbance. This numerical model takes in account the vertical acceleration of the particles and considers higher orders derivate terms previously neglected by Boussinesq, so that in the generation zone, this model can support high relative amplitude of waves.

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A study was conducted on the dynamics of 2D and 3D Bose-Einstein condensates in the case when the scattering length in the Gross-Pitaevskii (GP) equation which contains constant (dc) and time-variable (ac) parts. Using the variational approximation (VA), simulating the GP equation directly, and applying the averaging procedure to the GP equation without the use of the VA, it was demonstrated that the ac component of the nonlinearity makes it possible to maintain the condensate in a stable self-confined state without external traps.

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Through the analyses of the Miyazawa-Jernigan matrix it has been shown that the hydrophobic effect generates the dominant driving force for protein folding. By using both lattice and off-lattice models, it is shown that hydrophobic-type potentials are indeed efficient in inducing the chain through nativelike configurations, but they fail to provide sufficient stability so as to keep the chain in the native state. However, through comparative Monte Carlo simulations, it is shown that hydrophobic potentials and steric constraints are two basic ingredients for the folding process. Specifically, it is shown that suitable pairwise steric constraints introduce strong changes on the configurational activity, whose main consequence is a huge increase in the overall stability condition of the native state; detailed analysis of the effects of steric constraints on the heat capacity and configurational activity are provided. The present results support the view that the folding problem of globular proteins can be approached as a process in which the mechanism to reach the native conformation and the requirements for the globule stability are uncoupled.

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This paper describes a nonlinear phenomenon in the dynamical behavior of a nonlinear system under two non-ideal excitations: the self-synchronization of unbalanced direct current motors. The considered model is taken as a Duffing system that is excited by two unbalanced direct current motors with limited power supplies. The results obtained by using numerical simulations are discussed in details.

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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.

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We perform a systematic numerical study, based on the time-dependent Gross-Pitaevskii equation, of jet formation in collapsing and exploding Bose-Einstein condensates as in the experiment by Donley et al (2001 Nature 412 295). In the actual experiment, via a Feshbach resonance, the scattering length of atomic interaction was suddenly changed from positive to negative on a pre-formed condensate. Consequently, the condensate collapsed and ejected atoms via explosion. On disruption of the collapse by suddenly changing the scattering length to zero, a radial jet of atoms was formed in the experiment. We present a satisfactory account of jet formation under the experimental conditions and also make predictions beyond experimental conditions which can be verified in future experiments.