Search results for: quantum mechanics of spin dynamics.
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 1233

Search results for: quantum mechanics of spin dynamics.

1113 Optimization of Laser-Induced Breakdown Spectroscopy (LIBS) for Determination of Quantum Dots (Qds) in Liquid Solutions

Authors: David Prochazka, Ľudmila Ballová, Karel Novotný, Jan Novotný, Radomír Malina, Petr Babula, Vojtěch Adam, René Kizek, Klára Procházková, Jozef Kaiser

Abstract:

Here we report on the utilization of Laser-Induced Breakdown Spectroscopy (LIBS) for determination of Quantum Dots (QDs) in liquid solution. The process of optimization of experimental conditions from choosing the carrier medium to application of colloid QDs is described. The main goal was to get the best possible signal to noise ratio. The results obtained from the measurements confirmed the capability of LIBS technique for qualitative and afterwards quantitative determination of QDs in liquid solution.

Keywords: Laser-Induced Breakdown Spectroscopy, liquid analysis, nanocrystals, nanotechnology, Quantum dots.

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1112 Using the Keystrokes Dynamic for Systems of Personal Security

Authors: Gláucya C. Boechat, Jeneffer C. Ferreira, Edson C. B. Carvalho

Abstract:

This paper presents a boarding on biometric authentication through the Keystrokes Dynamics that it intends to identify a person from its habitual rhythm to type in conventional keyboard. Seven done experiments: verifying amount of prototypes, threshold, features and the variation of the choice of the times of the features vector. The results show that the use of the Keystroke Dynamics is simple and efficient for personal authentication, getting optimum resulted using 90% of the features with 4.44% FRR and 0% FAR.

Keywords: Biometrics techniques, Keystroke Dynamics, patternrecognition.

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1111 Belt Conveyor Dynamics in Transient Operation for Speed Control

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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1110 Highly Efficient White Light-emitting Diodes Based on Layered Quantum Dot-Phosphor Nanocomposites as Converting Materials

Authors: J. Y. Woo, J. Lee, N. Kim, C.-S. Han

Abstract:

This paper reports on the enhanced photoluminescence (PL) of nanocomposites through the layered structuring of phosphor and quantum dot (QD). Green phosphor of Sr2SiO4:Eu, red QDs of CdSe/CdS/CdZnS/ZnS core-multishell, and thermo-curable resin were used for this study. Two kinds of composite (layered and mixed) were prepared, and the schemes for optical energy transfer between QD and phosphor were suggested and investigated based on PL decay characteristics. It was found that the layered structure is more effective than the mixed one in the respects of PL intensity, PL decay and thermal loss. When this layered nanocomposite (QDs on phosphor) is used to make white light emitting diode (LED), the brightness is increased by 37 %, and the color rendering index (CRI) value is raised to 88.4 compared to the mixed case of 80.4.

Keywords: Quantum Dot, Nanocomposites, Photoluminescence, Light Emitting Diode

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1109 Modeling and Dynamics Analysis for Intelligent Skid-Steering Vehicle Based on Trucksim-Simulink

Authors: Yansong Zhang, Xueyuan Li, Junjie Zhou, Xufeng Yin, Shihua Yuan, Shuxian Liu

Abstract:

Aiming at the verification of control algorithms for skid-steering vehicles, a vehicle simulation model of 6×6 electric skid-steering unmanned vehicle was established based on Trucksim and Simulink. The original transmission and steering mechanism of Trucksim are removed, and the electric skid-steering model and a closed-loop controller for the vehicle speed and yaw rate are built in Simulink. The simulation results are compared with the ones got by theoretical formulas. The results show that the predicted tire mechanics and vehicle kinematics of Trucksim-Simulink simulation model are closed to the theoretical results. Therefore, it can be used as an effective approach to study the dynamic performance and control algorithm of skid-steering vehicle. In this paper, a method of motion control based on feed forward control is also designed. The simulation results show that the feed forward control strategy can make the vehicle follow the target yaw rate more quickly and accurately, which makes the vehicle have more maneuverability.

Keywords: Skid-steering, Trucksim-Simulink, feedforward control, dynamics.

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1108 2D Fracture Analysis of the First Compression Piston Ring

Authors: I. Razmi, N. Choupani

Abstract:

The incidence of mechanical fracture of an automobile piston rings prompted development of fracture analysis method on this case. The three rings (two compression rings and one oil ring) were smashed into several parts during the power-test (after manufacturing the engine) causing piston and liner to be damaged. The radial and oblique cracking happened on the failed piston rings. The aim of the fracture mechanics simulations presented in this paper was the calculation of particular effective fracture mechanics parameters, such as J-integrals and stress intensity factors. Crack propagation angles were calculated as well. Two-dimensional fracture analysis of the first compression ring has been developed in this paper using ABAQUS CAE6.5-1 software. Moreover, SEM fractography was developed on fracture surfaces and is discussed in this paper. Results of numerical calculations constitute the basis for further research on real object.

Keywords: Compression piston ring, Crack, Fracture mechanics, SEM fractography.

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1107 State Estimation Method Based on Unscented Kalman Filter for Vehicle Nonlinear Dynamics

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

Abstract:

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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1106 Maximizer of the Posterior Marginal Estimate of Phase Unwrapping Based On Statistical Mechanics of the Q-Ising Model

Authors: Yohei Saika, Tatsuya Uezu

Abstract:

We constructed a method of phase unwrapping for a typical wave-front by utilizing the maximizer of the posterior marginal (MPM) estimate corresponding to equilibrium statistical mechanics of the three-state Ising model on a square lattice on the basis of an analogy between statistical mechanics and Bayesian inference. We investigated the static properties of an MPM estimate from a phase diagram using Monte Carlo simulation for a typical wave-front with synthetic aperture radar (SAR) interferometry. The simulations clarified that the surface-consistency conditions were useful for extending the phase where the MPM estimate was successful in phase unwrapping with a high degree of accuracy and that introducing prior information into the MPM estimate also made it possible to extend the phase under the constraint of the surface-consistency conditions with a high degree of accuracy. We also found that the MPM estimate could be used to reconstruct the original wave-fronts more smoothly, if we appropriately tuned hyper-parameters corresponding to temperature to utilize fluctuations around the MAP solution. Also, from the viewpoint of statistical mechanics of the Q-Ising model, we found that the MPM estimate was regarded as a method for searching the ground state by utilizing thermal fluctuations under the constraint of the surface-consistency condition.

Keywords: Bayesian inference, maximizer of the posterior marginal estimate, phase unwrapping, Monte Carlo simulation, statistical mechanics

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1105 PID Parameter Optimization of an UAV Longitudinal Flight Control System

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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1104 Behavior of Solutions of the System of Recurrence Equations Based on the Verhulst-Pearl Model

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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1103 Dynamics, Hierarchy and Commensalities: A Study of Inter Caste Relationship in a North Indian Village

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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1102 Strategic Management via System Dynamics Simulation Models

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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1101 Performance Analysis of Routing Protocol for WSN Using Data Centric Approach

Authors: A. H. Azni, Madihah Mohd Saudi, Azreen Azman, Ariff Syah Johari

Abstract:

Sensor Network are emerging as a new tool for important application in diverse fields like military surveillance, habitat monitoring, weather, home electrical appliances and others. Technically, sensor network nodes are limited in respect to energy supply, computational capacity and communication bandwidth. In order to prolong the lifetime of the sensor nodes, designing efficient routing protocol is very critical. In this paper, we illustrate the existing routing protocol for wireless sensor network using data centric approach and present performance analysis of these protocols. The paper focuses in the performance analysis of specific protocol namely Directed Diffusion and SPIN. This analysis reveals that the energy usage is important features which need to be taken into consideration while designing routing protocol for wireless sensor network.

Keywords: Data Centric Approach, Directed Diffusion, SPIN WSN Routing Protocol.

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1100 Bifurcation Method for Solving Positive Solutions to a Class of Semilinear Elliptic Equations and Stability Analysis of Solutions

Authors: Hailong Zhu, Zhaoxiang Li

Abstract:

Semilinear elliptic equations are ubiquitous in natural sciences. They give rise to a variety of important phenomena in quantum mechanics, nonlinear optics, astrophysics, etc because they have rich multiple solutions. But the nontrivial solutions of semilinear equations are hard to be solved for the lack of stabilities, such as Lane-Emden equation, Henon equation and Chandrasekhar equation. In this paper, bifurcation method is applied to solving semilinear elliptic equations which are with homogeneous Dirichlet boundary conditions in 2D. Using this method, nontrivial numerical solutions will be computed and visualized in many different domains (such as square, disk, annulus, dumbbell, etc).

Keywords: Semilinear elliptic equations, positive solutions, bifurcation method, isotropy subgroups.

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1099 Power System Security Constrained Economic Dispatch Using Real Coded Quantum Inspired Evolution Algorithm

Authors: A. K. Al-Othman, F. S. Al-Fares, K. M. EL-Nagger

Abstract:

This paper presents a new optimization technique based on quantum computing principles to solve a security constrained power system economic dispatch problem (SCED). The proposed technique is a population-based algorithm, which uses some quantum computing elements in coding and evolving groups of potential solutions to reach the optimum following a partially directed random approach. The SCED problem is formulated as a constrained optimization problem in a way that insures a secure-economic system operation. Real Coded Quantum-Inspired Evolution Algorithm (RQIEA) is then applied to solve the constrained optimization formulation. Simulation results of the proposed approach are compared with those reported in literature. The outcome is very encouraging and proves that RQIEA is very applicable for solving security constrained power system economic dispatch problem (SCED).

Keywords: State Estimation, Fuzzy Linear Regression, FuzzyLinear State Estimator (FLSE) and Measurements Uncertainty.

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1098 Exterior Calculus: Economic Growth Dynamics

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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1097 Validity of Universe Structure Conception as Nested Vortexes

Authors: Khaled M. Nabil

Abstract:

This paper introduces the Nested Vortexes conception of the universe structure and interprets all the physical phenomena according this conception. The paper first reviews recent physics theories, either in microscopic scale or macroscopic scale, to collect evidence that the space is not empty. But, these theories describe the property of the space medium without determining its structure. Determining the structure of space medium is essential to understand the mechanism that leads to its properties. Without determining the space medium structure, many phenomena; such as electric and magnetic fields, gravity, or wave-particle duality remain uninterpreted. Thus, this paper introduces a conception about the structure of the universe. It assumes that the universe is a medium of ultra-tiny homogeneous particles which are still undiscovered. Like any medium with certain movements, possibly because of a great asymmetric explosion, vortexes have occurred. A vortex condenses the ultra-tiny particles in its center forming a bigger particle, the bigger particles, in turn, could be trapped in a bigger vortex and condense in its center forming a much bigger particle and so on. This conception describes galaxies, stars, protons as particles at different levels. Existing of the particle’s vortexes make the consistency of the speed of light postulate is not true. This conception shows that the vortex motion dynamic agrees with the motion of all the universe particles at any level. An experiment has been carried out to detect the orbiting effect of aggregated vortexes of aligned atoms of a permanent magnet. Based on the described particle’s structure, the gravity force of a particle and attraction between particles as well as charge, electric and magnetic fields and quantum mechanics characteristics are interpreted. All augmented physics phenomena are solved.

Keywords: Astrophysics, cosmology, particles’ structure model, particles’ forces, vortex dynamics.

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1096 Fracture Mechanics Modeling of a Shear-Cracked RC Beams Shear-Strengthened with FRP Sheets

Authors: Shahriar Shahbazpanahi, Alaleh Kamgar

Abstract:

So far, the conventional experimental and theoretical analysis in fracture mechanics have been applied to study concrete flexural- cracked beams, which are strengthened using fiber reinforced polymer (FRP) composite sheets. However, there is still little knowledge about the shear capacity of a side face FRP- strengthened shear-cracked beam. A numerical analysis is herein presented to model the fracture mechanics of a four-point RC beam, with two inclined initial notch on the supports, which is strengthened with side face FRP sheets. In the present study, the shear crack is forced to conduct by using an initial notch in supports. The ABAQUS software is used to model crack propagation by conventional cohesive elements. It is observed that the FRP sheets play important roles in preventing the propagation of shear cracks.

Keywords: Crack, FRP, shear, strengthening.

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1095 Performance Analysis of Quantum Cascaded Lasers

Authors: M. B. El_Mashade, I. I. Mahamoud, M. S. El_Tokhy

Abstract:

Improving the performance of the QCL through block diagram as well as mathematical models is the main scope of this paper. In order to enhance the performance of the underlined device, the mathematical model parameters are used in a reliable manner in such a way that the optimum behavior was achieved. These parameters play the central role in specifying the optical characteristics of the considered laser source. Moreover, it is important to have a large amount of radiated power, where increasing the amount of radiated power represents the main hopping process that can be predicted from the behavior of quantum laser devices. It was found that there is a good agreement between the calculated values from our mathematical model and those obtained with VisSim and experimental results. These demonstrate the strength of mplementation of both mathematical and block diagram models.

Keywords: Quantum Cascaded Lasers (QCLs), Modeling, Block Diagram Programming, Intersubband transitions

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1094 Application of Formal Methods for Designing a Separation Kernel for Embedded Systems

Authors: Kei Kawamorita, Ryouta Kasahara, Yuuki Mochizuki, Kenichiro Noguchi

Abstract:

A separation-kernel-based operating system (OS) has been designed for use in secure embedded systems by applying formal methods to the design of the separation-kernel part. The separation kernel is a small OS kernel that provides an abstract distributed environment on a single CPU. The design of the separation kernel was verified using two formal methods, the B method and the Spin model checker. A newly designed semi-formal method, the extended state transition method, was also applied. An OS comprising the separation-kernel part and additional OS services on top of the separation kernel was prototyped on the Intel IA-32 architecture. Developing and testing of a prototype embedded application, a point-of-sale application, on the prototype OS demonstrated that the proposed architecture and the use of formal methods to design its kernel part are effective for achieving a secure embedded system having a high-assurance separation kernel.

Keywords: B method, embedded systems, extended state transition, formal methods, separation kernel, Spin.

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1093 Design and Optimization of Parity Generator and Parity Checker Based On Quantum-dot Cellular Automata

Authors: Santanu Santra, Utpal Roy

Abstract:

Quantum-dot Cellular Automata (QCA) is one of the most substitute emerging nanotechnologies for electronic circuits, because of lower power consumption, higher speed and smaller size in comparison with CMOS technology. The basic devices, a Quantum-dot cell can be used to implement logic gates and wires. As it is the fundamental building block on nanotechnology circuits. By applying XOR gate the hardware requirements for a QCA circuit can be decrease and circuits can be simpler in terms of level, delay and cell count. This article present a modest approach for implementing novel optimized XOR gate, which can be applied to design many variants of complex QCA circuits. Proposed XOR gate is simple in structure and powerful in terms of implementing any digital circuits. In order to verify the functionality of the proposed design some complex implementation of parity generator and parity checker circuits are proposed and simulating by QCA Designer tool and compare with some most recent design. Simulation results and physical relations confirm its usefulness in implementing every digital circuit.

Keywords: Clock, CMOS technology, Logic gates, QCA Designer, Quantum-dot Cellular Automata (QCA).

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1092 Role of Acoustic Pressure on the Dynamics of Moving Single-Bubble Sonoluminescence

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

Abstract:

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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1091 An Expansion Method for Schrödinger Equation of Quantum Billiards with Arbitrary Shapes

Authors: İnci M. Erhan

Abstract:

A numerical method for solving the time-independent Schrödinger equation of a particle moving freely in a three-dimensional axisymmetric region is developed. The boundary of the region is defined by an arbitrary analytic function. The method uses a coordinate transformation and an expansion in eigenfunctions. The effectiveness is checked and confirmed by applying the method to a particular example, which is a prolate spheroid.

Keywords: Bessel functions, Eigenfunction expansion, Quantum billiard, Schrödinger equation, Spherical harmonics

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1090 Quantum Modelling of AgHMoO4, CsHMoO4 and AgCsMoO4 Chemistry in the Field of Nuclear Power Plant Safety

Authors: Mohamad Saab, Sidi Souvi

Abstract:

In a major nuclear accident, the released fission products (FPs) and the structural materials are likely to influence the transport of iodine in the reactor coolant system (RCS) of a pressurized water reactor (PWR). So far, the thermodynamic data on cesium and silver species used to estimate the magnitude of FP release show some discrepancies, data are scarce and not reliable. For this reason, it is crucial to review the thermodynamic values related to cesium and silver materials. To this end, we have used state-of-the-art quantum chemical methods to compute the formation enthalpies and entropies of AgHMoO₄, CsHMoO₄, and AgCsMoO₄ in the gas phase. Different quantum chemical methods have been investigated (DFT and CCSD(T)) in order to predict the geometrical parameters and the energetics including the correlation energy. The geometries were optimized with TPSSh-5%HF method, followed by a single point calculation of the total electronic energies using the CCSD(T) wave function method. We thus propose with a final uncertainty of about 2 kJmol⁻¹ standard enthalpies of formation of AgHMoO₄, CsHMoO₄, and AgCsMoO₄.

Keywords: ASTEC, Accident Source Term Evaluation Code, quantum chemical methods, severe nuclear accident, thermochemical database.

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1089 The Emission Spectra Due to Exciton-Exciton Collisions in GaAs/AlGaAs Quantum Well System

Authors: Surendra K Pandey

Abstract:

Optical emission based on excitonic scattering processes becomes important in dense exciton systems in which the average distance between excitons is of the order of a few Bohr radii but still below the exciton screening threshold. The phenomena due to interactions among excited states play significant role in the emission near band edge of the material. The theory of two-exciton collisions for GaAs/AlGaAs quantum well systems is a mild attempt to understand the physics associated with the optical spectra due to excitonic scattering processes in these novel systems. The four typical processes considered give different spectral shape, peak position and temperature dependence of the emission spectra. We have used the theory of scattering together with the second order perturbation theory to derive the radiative power spontaneously emitted at an energy ħω by these processes. The results arrived at are purely qualitative in nature. The intensity of emitted light in quantum well systems varies inversely to the square of temperature, whereas in case of bulk materials it simply decreases with the  temperature.

Keywords: Exciton-Exciton Collisions, Excitonic Scattering Processes, Interacting Excitonic States, Quantum Wells.

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1088 Model Predictive Control Using Thermal Inputs for Crystal Growth Dynamics

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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1087 Ab Initio Molecular Dynamics Simulations of Furfural at the Liquid-Solid Interface

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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1086 Molecular Electronic Devices based on Carotenoid Derivatives

Authors: Vicente F. P. Aleixo, Augusto C. F. Saraiva, Jordan Del Nero

Abstract:

The production of devices in nanoscale with specific molecular rectifying function is one of the most significant goals in state-of-art technology. In this work we show by ab initio quantum mechanics calculations coupled with non-equilibrium Green function, the design of an organic two-terminal device. These molecular structures have molecular source and drain with several bridge length (from five up to 11 double bonds). Our results are consistent with significant features as a molecular rectifier and can be raised up as: (a) it can be used as bi-directional symmetrical rectifier; (b) two devices integrated in one (FET with one operational region, and Thyristor thiristor); (c) Inherent stability due small intrinsic capacitance under forward/reverse bias. We utilize a scheme for the transport mechanism based on previous properties of ¤Ç bonds type that can be successfully utilized to construct organic nanodevices.

Keywords: ab initio, Carotenoid, Charge Transfer, Nanodevice

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1085 Saturated Gain of Doped Multilayer Quantum Dot Semiconductor Optical Amplifiers

Authors: Omar Qasaimeh

Abstract:

The effect of the number of quantum dot (QD) layers on the saturated gain of doped QD semiconductor optical amplifiers (SOAs) has been studied using multi-population coupled rate equations. The developed model takes into account the effect of carrier coupling between adjacent layers. It has been found that increasing the number of QD layers (K) increases the unsaturated optical gain for K<8 and approximately has no effect on the unsaturated gain for K ≥ 8. Our analysis shows that the optimum ptype concentration that maximizes the unsaturated optical gain of the ground state is NA Ôëê 0.75 ×1018cm-3 . On the other hand, it has been found that the saturated optical gain for both the ground state and the excited state are strong function of both the doping concentration and K where we find that it is required to dope the dots with n-type concentration for very large K at high photon energy.

Keywords: doping, multilayer, quantum dot optical amplifier, saturated gain.

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1084 Evolutionary Dynamics on Small-World Networks

Authors: Jan Rychtar, Brian Stadler

Abstract:

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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