Insights into mechanism kinematics for protein motion simulation

Background: The high demanding computational requirements necessary to carry out protein motion simulations make it difficult to obtain information related to protein motion. On the one hand, molecular dynamics simulation requires huge computational resources to achieve satisfactory motion simulations. On the other hand, less accurate procedures such as interpolation methods, do not generate realistic morphs from the kinematic point of view. Analyzing a protein's movement is very similar to serial robots; thus, it is possible to treat the protein chain as a serial mechanism composed of rotational degrees of freedom. Recently, based on this hypothesis, new methodologies have arisen, based on mechanism and robot kinematics, to simulate protein motion. Probabilistic roadmap method, which discretizes the protein configurational space against a scoring function, or the kinetostatic compliance method that minimizes the torques that appear in bonds, aim to simulate protein motion with a reduced computational cost. Results: In this paper a new viewpoint for protein motion simulation, based on mechanism kinematics is presented. The paper describes a set of methodologies, combining different techniques such as structure normalization normalization processes, simulation algorithms and secondary structure detection procedures. The combination of all these procedures allows to obtain kinematic morphs of proteins achieving a very good computational cost-error rate, while maintaining the biological meaning of the obtained structures and the kinematic viability of the obtained motion. Conclusions: The procedure presented in this paper, implements different modules to perform the simulation of the conformational change suffered by a protein when exerting its function. The combination of a main simulation procedure assisted by a secondary structure process, and a side chain orientation strategy, allows to obtain a fast and reliable simulations of protein motion.

The Supercore for Normal Form Games

We study the supercore of a system derived from a normal form game. For the case of a finite game with pure strategies, we define a sequence of games and show that the supercore of that system coincides with the set of Nash equilibrium strategy profiles of the last game in the sequence. This result is illustrated with the characterization of the supercore for the n-person prisoners’ dilemma. With regard to the mixed extension of a normal form game, we show that the set of Nash equilibrium profiles coincides with the supercore for games with a finite number of Nash equilibria. For games with an infinite number of Nash equilibria this need not be no longer the case. Yet, it is not difficult to find a binary relation which guarantees the coincidence of these two sets.

Crystal structure and phase transition studies in perovskite-type oxides using powder-diffraction techniques and symmetry-mode analysis : SrLnMRuO6 (Ln=La,Pr,Nd; M=Zn,Co,Mg,Ni,Fe) and ALn2CuTi2O9 (A=Ca,Ba; Ln=La,Pr,Nd,Sm)

La tesis se ha centrado en la síntesis y caracterización estructural de materiales tipo perovskita: SrLnMRuO6 (Ln=La,Pr,Nd; M=Zn,Co,Mg,Ni,Fe) y ALn2CuTi2O9 (A=Ca,Ba; Ln=La,Pr,Nd,Sm). El estudio de las estructuras de los materiales se ha realizado mediante el análisis de los patrones de difracción en polvo de rayos-X, sincrotrón y/o neutrones. En el refinamiento por el método de Rietveld de las estructuras se han sustituido las coordenadas atómicas (el método más común), por coordenadas colectivas: las amplitudes de los modos que describen la distorsión de la fase prototipo. Los resultados generales para la serie SrLnMRuO6 (Ln=La,Pr,Nd; M=Zn,Co,Mg,Ni) a temperatura ambiente se ha recogido en un diagrama en el que se han indicado las amplitudes de los modos que transforman de acuerdo a las irreps en función del factor de tolerancia, ya que todos ellos cristalizan en la misma fase monoclínica (P21/n); y a temperaturas altas se ha construido un diagrama de fase. Los materiales SrLnFeRuO6 ( Ln=La,Pr,Nd) y CaLn2CuTi2O9 cristalizan en la fase ortorrómbica Pbnm a temperatura ambiente; mientras que BaLn2CuTi2O9 tienen una estructura más simétrica, I4/mcm. A altas temperaturas se han identificado las transiciones de fase inducidas por el cambio de temperatura.A temperaturas bajas se han analizado las estructuras magnéticas de algunos de los compuestos mediante difracción de neutrones.

Robust Sliding Mode Control for Tokamaks

Nuclear fusion has arisen as an alternative energy to avoid carbon dioxide emissions, being the tokamak a promising nuclear fusion reactor that uses a magnetic field to confine plasma in the shape of a torus. However, different kinds of magnetohydrodynamic instabilities may affect tokamak plasma equilibrium, causing severe reduction of particle confinement and leading to plasma disruptions. In this sense, numerous efforts and resources have been devoted to seeking solutions for the different plasma control problems so as to avoid energy confinement time decrements in these devices. In particular, since the growth rate of the vertical instability increases with the internal inductance, lowering the internal inductance is a fundamental issue to address for the elongated plasmas employed within the advanced tokamaks currently under development. In this sense, this paper introduces a lumped parameter numerical model of the tokamak in order to design a novel robust sliding mode controller for the internal inductance using the transformer primary coil as actuator.

Sliding Mode Control Strategy for Wind Turbine Power Maximization

The efficiency of the wind power conversions systems can be greatly improved using an appropriate control algorithm. In this work, a sliding mode control for variable speed wind turbine that incorporates a doubly fed induction generator is described. The electrical system incorporates a wound rotor induction machine with back-to-back three phase power converter bridges between its rotor and the grid. In the presented design the so-called vector control theory is applied, in order to simplify the electrical equations. The proposed control scheme uses stator flux-oriented vector control for the rotor side converter bridge control and grid voltage vector control for the grid side converter bridge control. The stability analysis of the proposed sliding mode controller under disturbances and parameter uncertainties is provided using the Lyapunov stability theory. Finally simulated results show, on the one hand, that the proposed controller provides high-performance dynamic characteristics, and on the other hand, that this scheme is robust with respect to the uncertainties that usually appear in the real systems.

Sliding mode position control for real-time control of induction motors

A sliding mode position control for high-performance real-time applications of induction motors in developed in this work. The design also incorporates a simple flux estimator in order to avoid the flux sensors. Then, the proposed control scheme presents a low computational cost and therefore can be implemented easily in a real-time applications using a low cost DSP-processor. The stability analysis of the controller under parameter uncertainties and load disturbances in provided using Lyapunov stability theory. Finally, simulated and experimental results show that the proposed controller with the proposed observer provides a good trajectory tracking and that this scheme is robust with respect to plant parameter variations and external load disturbances.

Sliding mode control law for a variable speedwind turbine

Modern wind turbines are designed in order to work in variable speed operations. To perform this task, wind turbines are provided with adjustable speed generators, like the double feed induction generator. One of the main advantage of adjustable speed generators is improving the system efficiency compared to fixed speed generators, because turbine speed can be adjusted as a function of wind speed in order to maximize the output power. However this system requires a suitable speed controller in order to track the optimal reference speed of the wind turbine. In this work, a sliding mode control for variable speed wind turbines is proposed. An integral sliding surface is used, because the integral term avoids the use of the acceleration signal, which reduces the high frequency components in the sliding variable. The proposed design also uses the vector oriented control theory in order to simplify the generator dynamical equations. The stability analysis of the proposed controller has been carried out under wind variations and parameter uncertainties by using the Lyapunov stability theory. Finally simulated results show, on the one hand that the proposed controller provides a high-performance dynamic behavior, and on the other hand that this scheme is robust with respect to parameter uncertainties and wind speed variations, that usually appear in real systems.

An adaptive sliding mode control law for the power maximization of the wind turbine system

POWERENG 2011

Sliding mode control strategy for variable speed wind turbines

EFTA 2009

A Real-Time Sliding Mode Control for a Wind Energy System Based on a Doubly Fed Induction Generator

In this paper, a real time sliding mode control scheme for a variable speed wind turbine that incorporates a doubly feed induction generator is described. In this design, the so-called vector control theory is applied, in order to simplify the system electrical equations. The proposed control scheme involves a low computational cost and therefore can be implemented in real-time applications using a low cost Digital Signal Processor (DSP). The stability analysis of the proposed sliding mode controller under disturbances and parameter uncertainties is provided using the Lyapunov stability theory. A new experimental platform has been designed and constructed in order to analyze the real-time performance of the proposed controller in a real system. Finally, the experimental validation carried out in the experimental platform shows; on the one hand that the proposed controller provides high-performance dynamic characteristics, and on the other hand that this scheme is robust with respect to the uncertainties that usually appear in the real systems.

Study of crystal structure and phase transition studies in perovskite-type oxides using powder-diffraction techniques and symmetry-mode analysis.

251 p.