Search results for: Robot Dynamics

Authors: D. He, Y. Pang, G. Lodewijks

Abstract:

Belt conveyors play an important role in continuous dry bulk material transport, especially at the mining industry. Speed control is expected to reduce the energy consumption of belt conveyors. Transient operation is the operation of increasing or decreasing conveyor speed for speed control. According to literature review, current research rarely takes the conveyor dynamics in transient operation into account. However, in belt conveyor speed control, the conveyor dynamic behaviors are significantly important since the poor dynamics might result in risks. In this paper, the potential risks in transient operation will be analyzed. An existing finite element model will be applied to build a conveyor model, and simulations will be carried out to analyze the conveyor dynamics. In order to realize the soft speed regulation, Harrison’s sinusoid acceleration profile will be applied, and Lodewijks estimator will be built to approximate the required acceleration time. A long inclined belt conveyor will be studied with two major simulations. The conveyor dynamics will be given.

Keywords: Belt conveyor, speed control, transient operation, dynamics

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Authors: Li Shoutao, Gordon Lee

Abstract:

Evolutionary robotics is concerned with the design of intelligent systems with life-like properties by means of simulated evolution. Approaches in evolutionary robotics can be categorized according to the control structures that represent the behavior and the parameters of the controller that undergo adaptation. The basic idea is to automatically synthesize behaviors that enable the robot to perform useful tasks in complex environments. The evolutionary algorithm searches through the space of parameterized controllers that map sensory perceptions to control actions, thus realizing a specific robotic behavior. Further, the evolutionary algorithm maintains and improves a population of candidate behaviors by means of selection, recombination and mutation. A fitness function evaluates the performance of the resulting behavior according to the robot-s task or mission. In this paper, the focus is in the use of genetic algorithms to solve a multi-objective optimization problem representing robot behaviors; in particular, the A-Compander Law is employed in selecting the weight of each objective during the optimization process. Results using an adaptive fitness function show that this approach can efficiently react to complex tasks under variable environments.

Keywords: adaptive fuzzy neural inference, evolutionary tuning

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Authors: Wataru Nakamura, Tomoaki Hashimoto, Liang-Kuang Chen

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This paper provides a state estimation method for automatic control systems of nonlinear vehicle dynamics. A nonlinear tire model is employed to represent the realistic behavior of a vehicle. In general, all the state variables of control systems are not precisedly known, because those variables are observed through output sensors and limited parts of them might be only measurable. Hence, automatic control systems must incorporate some type of state estimation. It is needed to establish a state estimation method for nonlinear vehicle dynamics with restricted measurable state variables. For this purpose, unscented Kalman filter method is applied in this study for estimating the state variables of nonlinear vehicle dynamics. The objective of this paper is to propose a state estimation method using unscented Kalman filter for nonlinear vehicle dynamics. The effectiveness of the proposed method is verified by numerical simulations.

Keywords: State estimation, control systems, observer systems, unscented Kalman filter, nonlinear vehicle dynamics.

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Authors: Kamran Turkoglu, Ugur Ozdemir, Melike Nikbay, Elbrous M. Jafarov

Abstract:

In this paper, an automatic control system design based on Integral Squared Error (ISE) parameter optimization technique has been implemented on longitudinal flight dynamics of an UAV. It has been aimed to minimize the error function between the reference signal and the output of the plant. In the following parts, objective function has been defined with respect to error dynamics. An unconstrained optimization problem has been solved analytically by using necessary and sufficient conditions of optimality, optimum PID parameters have been obtained and implemented in control system dynamics.

Keywords: Optimum Design, KKT Conditions, UAV, Longitudinal Flight Dynamics, ISE Parameter Optimization.

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Authors: Vladislav N. Dumachev, Vladimir A. Rodin

Abstract:

By utilizing the system of the recurrence equations, containing two parameters, the dynamics of two antagonistically interconnected populations is studied. The following areas of the system behavior are detected: the area of the stable solutions, the area of cyclic solutions occurrence, the area of the accidental change of trajectories of solutions, and the area of chaos and fractal phenomena. The new two-dimensional diagram of the dynamics of the solutions change (the fractal cabbage) has been obtained. In the cross-section of this diagram for one of the equations the well-known Feigenbaum tree of doubling has been noted.Keywordsbifurcation, chaos, dynamics of populations, fractals

Keywords: bifurcation, chaos, dynamics of populations, fractals

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Authors: Xinde Li, Xinhan Huang, Min Wang

Abstract:

In this paper, a new method of information fusion – DSmT (Dezert and Smarandache Theory) is introduced to apply to managing and dealing with the uncertain information from robot map building. Here we build grid map form sonar sensors and laser range finder (LRF). The uncertainty mainly comes from sonar sensors and LRF. Aiming to the uncertainty in static environment, we propose Classic DSm (DSmC) model for sonar sensors and laser range finder, and construct the general basic belief assignment function (gbbaf) respectively. Generally speaking, the evidence sources are unreliable in physical system, so we must consider the discounting theory before we apply DSmT. At last, Pioneer II mobile robot serves as a simulation experimental platform. We build 3D grid map of belief layout, then mainly compare the effect of building map using DSmT and DST. Through this simulation experiment, it proves that DSmT is very successful and valid, especially in dealing with highly conflicting information. In short, this study not only finds a new method for building map under static environment, but also supplies with a theory foundation for us to further apply Hybrid DSmT (DSmH) to dynamic unknown environment and multi-robots- building map together.

Keywords: Map building, DSmT, DST, uncertainty, information fusion.

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Authors: K. Pandey

Abstract:

The present study is a functional analysis of the relationship between castes which indicates the dynamics of the caste structure in the rural setting. The researcher has tried to show both the cooperation and competition on important ceremonial and social occasions. The real India exists in the villages, so we need to know about their solidarity and also what the village life is and has been shaping into. We need to emphasize a microcosmic study of Indian rural life. Furthermore, caste integration is an acute problem country faces today. To resolve this we are required to know the dynamics of behavior of the people of different castes and for the study of the caste dynamics a study of caste relations are needed. The present study is an attempt in this direction.

Keywords: Hierarchial groups, jajmani system, functional dependence, commensalities.

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Authors: Young-Lim Choi, Nak-Yun Choi, Jae-Yong Seo, Sang-Il Park, Jong-Wook Kim

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This paper proposes a prototype of a lower-limb rehabilitation system for recovering and strengthening patients- injured lower limbs. The system is composed of traction motors for each leg position, a treadmill as a walking base, tension sensors, microcontrollers controlling motor functions and a main system with graphic user interface. For derivation of reference or normal velocity profiles of the body segment point, kinematic method is applied based on the humanoid robot model using the reference joint angle data of normal walking.

Keywords: Rehabilitation, lower limb, treadmill, humanoid robot.

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Authors: G. Papageorgiou, A. Hadjis

Abstract:

This paper examines the problem of strategic management in highly turbulent dynamic business environmental conditions. As shown the high complexity of the problem can be managed with the use of System Dynamics Models and Computer Simulation in obtaining insights, and thorough understanding of the interdependencies between the organizational structure and the business environmental elements, so that effective product –market strategies can be designed. Simulation reveals the underlying forces that hold together the structure of an organizational system in relation to its environment. Such knowledge will contribute to the avoidance of fundamental planning errors and enable appropriate proactive well focused action.

Keywords: Strategic Management, System Dynamics, Modelingand Simulation, Strategic Planning, Organizational Dynamics

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Authors: Shiuh-Jer Huang, Yu-Chi Liu, Su-Hai Hsiang

Abstract:

A novel low-cost impedance control structure is proposed for monitoring the contact force between end-effector and environment without installing an expensive force/torque sensor. Theoretically, the end-effector contact force can be estimated from the superposition of each joint control torque. There have a nonlinear matrix mapping function between each joint motor control input and end-effector actuating force/torques vector. This new force control structure can be implemented based on this estimated mapping matrix. First, the robot end-effector is manipulated to specified positions, then the force controller is actuated based on the hall sensor current feedback of each joint motor. The model-free fuzzy sliding mode control (FSMC) strategy is employed to design the position and force controllers, respectively. All the hardware circuits and software control programs are designed on an Altera Nios II embedded development kit to constitute an embedded system structure for a retrofitted Mitsubishi 5 DOF robot. Experimental results show that PI and FSMC force control algorithms can achieve reasonable contact force monitoring objective based on this hardware control structure.

Keywords: Robot, impedance control, fuzzy sliding mode control, contact force estimator.

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Authors: Virgil Miranda, Gissele Mosqueda, Pablo Delgado, Yimesker Yihun

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Muscular fatigue affects the muscle activation that is needed for producing the desired clinical outcome. Integrating optimal muscle relaxation periods into a variety of health care rehabilitation protocols is important to maximize the efficiency of the therapy. In this study, four muscle relaxation periods (30, 60, 90 and 120 seconds) and their effectiveness in producing consistent muscle activation of the muscle biceps brachii between sets of an elbow flexion and extension task were investigated among a sample of 10 subjects with no disabilities. The same resting periods were then utilized in a controlled exoskeleton-based exercise for a sample size of 5 subjects and have shown similar results. On average, the muscle activity of the biceps brachii decreased by 0.3% when rested for 30 seconds, and it increased by 1.25%, 0.76% and 0.82% when using muscle relaxation periods of 60, 90 and 120 seconds, respectively. The preliminary results suggest that a muscle relaxation period of about 60 seconds is needed for optimal continuous muscle activation within rehabilitation regimens. Robot-based rehabilitation is good to produce repetitive tasks with the right intensity and knowing the optimal resting period will make the automation more effective.

Keywords: Rest intervals, muscle biceps brachii, robot rehabilitation, muscle fatigue.

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Authors: Ferenc Kovács, Gábor Hosszú

Abstract:

The paper presents an advanced control system for tennis ball throwing machines to improve their accuracy according to the ball impact points. A further advantage of the system is the much easier calibration process involving the intelligent solution of the automatic adjustment of the stroking parameters according to the ball elasticity, the self-calibration, the use of the safety margin at very flat strokes and the possibility to placing the machine to any position of the half court. The system applies mathematical methods to determine the exact ball trajectories and special approximating processes to access all points on the aimed half court.

Keywords: Control system, robot programming, robot control, sports equipment, throwing machine.

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Authors: Alireza Changizi, Arash Rezaei, Jamal Muhammad, Jyrki Latokartano, Minna Lanz

Abstract:

Offline programming (OLP) is a new method in robot programming which is used widely in the industry nowadays which is a simulation base method that can produce the robot codes for motion according to virtual world in the simulation software. In this project Delmia v5 is used as simulation software. First the work cell component was modelled by Catia v5 and all of them was imported to a process file in Delmia and placed roughly to form the virtual work cell. Then robot was added to the work cell from the Delmia library. Work cell was calibrated corresponding to real world work cell to have accurate code. Tool calibration is the first step of calibration scheme and then work cell equipment can be calibrated using 6 point calibration method. Finally generated code needs to be reformed to match related controller code instruction. At the last stage IO were set to accomplish robots cooperation and make their motion synchronized. The pros and cons also will be discussed to clarify the presented results show the feasibility of the method and its effect on production line efficiency. Finally the positive and negative points of the implementation will be discussed.

Keywords: Component, robotic, automated, production, offline programming, CAD.

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Authors: Emre Akyürek, Anthony Huynh, Tatiana Kalganova

Abstract:

The Ambidextrous Robot Hand is a robotic device with the purpose to mimic either the gestures of a right or a left hand. The symmetrical behavior of its fingers allows them to bend in one way or another keeping a compliant and anthropomorphic shape. However, in addition to gestures they can reproduce on both sides, an asymmetrical mechanical design with a three tendons routing has been engineered to reduce the number of actuators. As a consequence, control algorithms must be adapted to drive efficiently the ambidextrous fingers from one position to another and to include grasping features. These movements are controlled by pneumatic muscles, which are nonlinear actuators. As their elasticity constantly varies when they are under actuation, the length of pneumatic muscles and the force they provide may differ for a same value of pressurized air. The control algorithms introduced in this paper take both the fingers asymmetrical design and the pneumatic muscles nonlinearity into account to permit an accurate control of the Ambidextrous Robot Hand. The finger motion is achieved by combining a classic PID controller with a phase plane switching control that turns the gain constants into dynamic values. The grasping ability is made possible because of a sliding mode control that makes the fingers adapt to the shape of an object before strengthening their positions.

Keywords: Ambidextrous hand, intelligent algorithms, nonlinear actuators, pneumatic muscles, robotics, sliding control.

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Authors: Troy L. Story

Abstract:

Mathematical models of dynamics employing exterior calculus are mathematical representations of the same unifying principle; namely, the description of a dynamic system with a characteristic differential one-form on an odd-dimensional differentiable manifold leads, by analysis with exterior calculus, to a set of differential equations and a characteristic tangent vector (vortex vector) which define transformations of the system. Using this principle, a mathematical model for economic growth is constructed by proposing a characteristic differential one-form for economic growth dynamics (analogous to the action in Hamiltonian dynamics), then generating a pair of characteristic differential equations and solving these equations for the rate of economic growth as a function of labor and capital. By contracting the characteristic differential one-form with the vortex vector, the Lagrangian for economic growth dynamics is obtained.

Keywords: Differential geometry, exterior calculus, Hamiltonian geometry, mathematical economics.

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Authors: Xing Xiong, Byung-Jae Choi

Abstract:

It is important for an autonomous mobile robot to know where it is in any time in an indoor environment. In this paper, we design a relative self-localization algorithm. The algorithm compare the interest point in two images and compute the relative displacement and orientation to determent the posture. Firstly, we use the SURF algorithm to extract the interest points of the ceiling. Second, in order to reduce amount of calculation, a replacement SURF is used to extract orientation and description of the interest points. At last, according to the transformation of the interest points in two images, the relative self-localization of the mobile robot will be estimated greatly.

Keywords: Relative Self-Localization Posture, SURF, Natural Landmark, Interest Point.

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Authors: Ellips Masehian, Golnaz Habibi

Abstract:

This paper presents a novel algorithm for path planning of mobile robots in known 3D environments using Binary Integer Programming (BIP). In this approach the problem of path planning is formulated as a BIP with variables taken from 3D Delaunay Triangulation of the Free Configuration Space and solved to obtain an optimal channel made of connected tetrahedrons. The 3D channel is then partitioned into convex fragments which are used to build safe and short paths within from Start to Goal. The algorithm is simple, complete, does not suffer from local minima, and is applicable to different workspaces with convex and concave polyhedral obstacles. The noticeable feature of this algorithm is that it is simply extendable to n-D Configuration spaces.

Keywords: 3D C-space, Binary Integer Programming (BIP), Delaunay Tessellation, Robot Motion Planning.

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Authors: Neda Shahidi, Hadi Esmaeilzadeh, Marziye Abdollahi, Caro Lucas

Abstract:

In this paper, the problem of finding the optimal collision free path for a mobile robot, the path planning problem, is solved using an advanced evolutionary algorithm called memetic algorithm. What is new in this work is a novel representation of solutions for evolutionary algorithms that is efficient, simple and also compatible with memetic algorithm. The new representation makes it possible to solve the problem with a small population and in a few generations. It also makes the genetic operator simple and allows using an efficient local search operator within the evolutionary algorithm. The proposed algorithm is applied to two instances of path planning problem and the results are available.

Keywords: Path planning problem, Memetic Algorithm, Representation.

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Authors: Jochen Nelles, Susanne Kohns, Julia Spies, Friederike Schmitz-Buhl, Roland Thietje, Christopher Brandl, Alexander Mertens, Christopher M. Schlick

Abstract:

Industrial robots as part of highly automated manufacturing are recently developed to cooperative (light-weight) robots. This offers the opportunity of using them as assistance robots and to improve the participation in professional life of disabled or handicapped people such as tetraplegics. Robots under development are located within a cooperation area together with the working person at the same workplace. This cooperation area is an area where the robot and the working person can perform tasks at the same time. Thus, working people and robots are operating in the immediate proximity. Considering the physical restrictions and the limited mobility of tetraplegics, a hands-free robot control could be an appropriate approach for a cooperative assistance robot. To meet these requirements, the research project MeRoSy (human-robot synergy) develops methods for cooperative assistance robots based on the measurement of head movements of the working person. One research objective is to improve the participation in professional life of people with disabilities and, in particular, mobility impaired persons (e.g. wheelchair users or tetraplegics), whose participation in a self-determined working life is denied. This raises the research question, how a human-robot cooperation workplace can be designed for hands-free robot control. Here, the example of a library scenario is demonstrated. In this paper, an empirical study that focuses on the impact of head movement related stress is presented. 12 test subjects with tetraplegia participated in the study. Tetraplegia also known as quadriplegia is the worst type of spinal cord injury. In the experiment, three various basic head movements were examined. Data of the head posture were collected by a motion capture system; muscle activity was measured via surface electromyography and the subjective mental stress was assessed via a mental effort questionnaire. The muscle activity was measured for the sternocleidomastoid (SCM), the upper trapezius (UT) or trapezius pars descendens, and the splenius capitis (SPL) muscle. For this purpose, six non-invasive surface electromyography sensors were mounted on the head and neck area. An analysis of variance shows differentiated muscular strains depending on the type of head movement. Systematically investigating the influence of different basic head movements on the resulting strain is an important issue to relate the research results to other scenarios. At the end of this paper, a conclusion will be drawn and an outlook of future work will be presented.

Keywords: Assistance robot, human-robot-interaction, motion capture, stress-strain-concept, surface electromyography, tetraplegia.

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Authors: Mohammad A. Bani-Khaled

Abstract:

In this work we use the Discrete Proper Orthogonal Decomposition transform to characterize the properties of coupled dynamics in thin-walled beams by exploiting numerical simulations obtained from finite element simulations. The outcomes of the will improve our understanding of the linear and nonlinear coupled behavior of thin-walled beams structures. Thin-walled beams have widespread usage in modern engineering application in both large scale structures (aeronautical structures), as well as in nano-structures (nano-tubes). Therefore, detailed knowledge in regard to the properties of coupled vibrations and buckling in these structures are of great interest in the research community. Due to the geometric complexity in the overall structure and in particular in the cross-sections it is necessary to involve computational mechanics to numerically simulate the dynamics. In using numerical computational techniques, it is not necessary to over simplify a model in order to solve the equations of motions. Computational dynamics methods produce databases of controlled resolution in time and space. These numerical databases contain information on the properties of the coupled dynamics. In order to extract the system dynamic properties and strength of coupling among the various fields of the motion, processing techniques are required. Time- Proper Orthogonal Decomposition transform is a powerful tool for processing databases for the dynamics. It will be used to study the coupled dynamics of thin-walled basic structures. These structures are ideal to form a basis for a systematic study of coupled dynamics in structures of complex geometry.

Keywords: Coupled dynamics, geometric complexity, Proper Orthogonal Decomposition (POD), thin walled beams.

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Authors: Omid Heydarnia, Akbar Allahverdizadeh, Behnam Dadashzadeh, M. R. Sayyed Noorani

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Underactuated biped robots control is one of the interesting topics in robotics. The main difficulties are its highly nonlinear dynamics, open-loop instability, and discrete event at the end of the gait. One of the methods to control underactuated systems is the partial feedback linearization, but it is not robust against uncertainties and disturbances that restrict its performance to control biped walking and running. In this paper, fuzzy partial feedback linearization is presented to overcome its drawback. Numerical simulations verify the effectiveness of the proposed method to generate stable and robust biped walking and running gaits.

Keywords: Underactuated system, biped robot, fuzzy control, partial feedback linearization.

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Authors: Rinaldo Christian Tanumara, Ming Xie, Chi Kit Au

Abstract:

Human perceives color in categories, which may be identified using color name such as red, blue, etc. The categorization is unique for each human being. However despite the individual differences, the categorization is shared among members in society. This allows communication among them, especially when using color name. Sociable robot, to live coexist with human and become part of human society, must also have the shared color categorization, which can be achieved through learning. Many works have been done to enable computer, as brain of robot, to learn color categorization. Most of them rely on modeling of human color perception and mathematical complexities. Differently, in this work, the computer learns color categorization through interaction with humans. This work aims at developing the innate ability of the computer to learn the human-like color categorization. It focuses on the representation of color categorization and how it is built and developed without much mathematical complexity.

Keywords: Color categorization, color learning, machinelearning, color naming.

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Authors: Reza Rezaei-Nasirabad, Zeinab Galavani, Rasoul Sadighi-Bonabi, Mohammad Asgarian

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Role of acoustic driving pressure on the translational-radial dynamics of a moving single bubble sonoluminescence (m-SBSL) has been numerically investigated. The results indicate that increase in the amplitude of the driving pressure leads to increase in the bubble peak temperature. The length and the shape of the trajectory of the bubble depends on the acoustic pressure and because of the spatially dependence of the radial dynamics of the moving bubble, its peak temperature varies during the acoustical pulses. The results are in good agreement with the experimental reports on m-SBSL.

Keywords: Bubble dynamics, Equation of the gas state, Hydrodynamic force, Moving sonoluminescence.

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Authors: Jahanbakhsh Hamedi, Hassan Zohoor

Abstract:

This article proposes modeling, simulation and kinematic and workspace analysis of a spatial cable suspended robot as incompletely Restrained Positioning Mechanism (IRPM). These types of robots have six cables equal to the number of degrees of freedom. After modeling, the kinds of workspace are defined then an statically reachable combined workspace for different geometric structures of fixed and moving platform is obtained. This workspace is defined as the situations of reference point of the moving platform (center of mass) which under external forces such as weight and with ignorance of inertial effects, the moving platform should be in static equilibrium under conditions that length of all cables must not be exceeded from the maximum value and all of cables must be at tension (they must have non-negative tension forces). Then the effect of various parameters such as the size of moving platform, the size of fixed platform, geometric configuration of robots, magnitude of applied forces and moments to moving platform on workspace of these robots with different geometric configuration are investigated. Obtained results should be effective in employing these robots under different conditions of applied wrench for increasing the workspace volume.

Keywords: Kinematic modeling, applied wrench, workspace, cable based robot.

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Authors: Aditya K, Dinesh P, Ramesh Bhakthavatchalu

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This paper explains a project based learning method where autonomous mini-robots are developed for research, education and entertainment purposes. In case of remote systems wireless sensors are developed in critical areas, which would collect data at specific time intervals, send the data to the central wireless node based on certain preferred information would make decisions to turn on or off a switch or control unit. Such information transfers hardly sums up to a few bytes and hence low data rates would suffice for such implementations. As a robot is a multidisciplinary platform, the interfacing issues involved are discussed in this paper. The paper is mainly focused on power supply, grounding and decoupling issues.

Keywords: CPLD, power supply, decoupling, grounding.

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Authors: Tarek M. Nazih El-Derini, Ahmed K. El-Shenawy

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This paper presents the hardware implemented and validation for a special system to assist the unprofessional users of car with back trailers. The system consists of two platforms; the front car platform (C) and the trailer platform (T). The main objective is to control the Trailer platform using the actuators found in the front platform (c). The mobility of the platform (C) is investigated and inverse and forward kinematics model is obtained for both platforms (C) and (T).The system is simulated using Matlab M-file and the simulation examples results illustrated the system performance. The system is constructed with a hardware setup for the front and trailer platform. The hardware experimental results and the simulated examples outputs showed the validation of the hardware setup.

Keywords: Kinematics, Modeling, Wheeled Mobile Robot.

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Authors: L. Novakova-Marcincinova, J. Novak-Marcincin, M. Janak

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The computer aided for design, analysis, control, visualization and simulation of robotized workcells is very interesting in this time. Computer Aided Robot Control (CARC) is a subsystem of the system CIM including the computer aided systems of all activities connected with visualization and working of robotized workcells. There are three basic ideas: current CAD/CAM/CAE systems for design and 3D visualization, special PC based control and simulation systems and Augmented Reality Aided Manufacturing (ARAM) systems. This paper describes example of Open Source software application that can to be utilized at planning of the robotized workcells, visualization and off-line programming the automated processes realized by authors.

Keywords: Intelligent control, augmented reality, robot.

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Authors: Takashi Shimizu, Tomoaki Hashimoto

Abstract:

Recently, crystal growth technologies have made progress by the requirement for the high quality of crystal materials. To control the crystal growth dynamics actively by external forces is useuful for reducing composition non-uniformity. In this study, a control method based on model predictive control using thermal inputs is proposed for crystal growth dynamics of semiconductor materials. The control system of crystal growth dynamics considered here is governed by the continuity, momentum, energy, and mass transport equations. To establish the control method for such thermal fluid systems, we adopt model predictive control known as a kind of optimal feedback control in which the control performance over a finite future is optimized with a performance index that has a moving initial time and terminal time. The objective of this study is to establish a model predictive control method for crystal growth dynamics of semiconductor materials.

Keywords: Model predictive control, optimal control, crystal growth, process control.

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Authors: Sanwu Wang, Hongli Dang, Wenhua Xue, Darwin Shields, Xin Liu, Friederike C. Jentoft, Daniel E. Resasco

Abstract:

The bonding configuration and the heat of adsorption of a furfural molecule on the Pd(111) surface were determined by ab initio density-functional-theory calculations. The dynamics of pure liquid water, the liquid-solid interface formed by liquid water and the Pd(111) surface, as well as furfural at the water-Pd interface, were investigated by ab initio molecular dynamics simulations at finite temperatures. Calculations and simulations suggest that the bonding configurations at the water-Pd interface promote decarbonylation of furfural.

Keywords: Ab initio molecular dynamics simulations, bio-fuels, density functional theory, liquid-solid interfaces.

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Authors: Jan Rychtar, Brian Stadler

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We study how the outcome of evolutionary dynamics on graphs depends on a randomness on the graph structure. We gradually change the underlying graph from completely regular (e.g. a square lattice) to completely random. We find that the fixation probability increases as the randomness increases; nevertheless, the increase is not significant and thus the fixation probability could be estimated by the known formulas for underlying regular graphs.

Keywords: evolutionary dynamics, small-world networks

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