Search results for: Quantum Mechanics.
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 327

Search results for: Quantum Mechanics.

267 An Approach of Quantum Steganography through Special SSCE Code

Authors: Indradip Banerjee, Souvik Bhattacharyya, Gautam Sanyal

Abstract:

Encrypted messages sending frequently draws the attention of third parties, perhaps causing attempts to break and reveal the original messages. Steganography is introduced to hide the existence of the communication by concealing a secret message in an appropriate carrier like text, image, audio or video. Quantum steganography where the sender (Alice) embeds her steganographic information into the cover and sends it to the receiver (Bob) over a communication channel. Alice and Bob share an algorithm and hide quantum information in the cover. An eavesdropper (Eve) without access to the algorithm can-t find out the existence of the quantum message. In this paper, a text quantum steganography technique based on the use of indefinite articles (a) or (an) in conjunction with the nonspecific or non-particular nouns in English language and quantum gate truth table have been proposed. The authors also introduced a new code representation technique (SSCE - Secret Steganography Code for Embedding) at both ends in order to achieve high level of security. Before the embedding operation each character of the secret message has been converted to SSCE Value and then embeds to cover text. Finally stego text is formed and transmits to the receiver side. At the receiver side different reverse operation has been carried out to get back the original information.

Keywords: Quantum Steganography, SSCE (Secret SteganographyCode for Embedding), Security, Cover Text, Stego Text.

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266 Modelling of Electron States in Quantum -Wire Systems - Influence of Stochastic Effects on the Confining Potential

Authors: Mikhail Vladimirovich Deryabin, Morten Willatzen

Abstract:

In this work, we address theoretically the influence of red and white Gaussian noise for electronic energies and eigenstates of cylindrically shaped quantum dots. The stochastic effect can be imagined as resulting from crystal-growth statistical fluctuations in the quantum-dot material composition. In particular we obtain analytical expressions for the eigenvalue shifts and electronic envelope functions in the k . p formalism due to stochastic variations in the confining band-edge potential. It is shown that white noise in the band-edge potential leaves electronic properties almost unaffected while red noise may lead to changes in state energies and envelopefunction amplitudes of several percentages. In the latter case, the ensemble-averaged envelope function decays as a function of distance. It is also shown that, in a stochastic system, constant ensembleaveraged envelope functions are the only bounded solutions for the infinite quantum-wire problem and the energy spectrum is completely discrete. In other words, the infinite stochastic quantum wire behaves, ensemble-averaged, as an atom.

Keywords: cylindrical quantum dots, electronic eigen energies, red and white Gaussian noise, ensemble averaging effects.

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265 Stability of Stochastic Model Predictive Control for Schrödinger Equation with Finite Approximation

Authors: Tomoaki Hashimoto

Abstract:

Recent technological advance has prompted significant interest in developing the control theory of quantum systems. Following the increasing interest in the control of quantum dynamics, this paper examines the control problem of Schrödinger equation because quantum dynamics is basically governed by Schrödinger equation. From the practical point of view, stochastic disturbances cannot be avoided in the implementation of control method for quantum systems. Thus, we consider here the robust stabilization problem of Schrödinger equation against stochastic disturbances. In this paper, we adopt model predictive control method in which control performance over a finite future is optimized with a performance index that has a moving initial and terminal time. The objective of this study is to derive the stability criterion for model predictive control of Schrödinger equation under stochastic disturbances.

Keywords: Optimal control, stochastic systems, quantum systems, stabilization.

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264 Combining Laws of Mechanics and Hydrostatics in Non-Inertial Reference Frames

Authors: M. Blokh

Abstract:

Method of combined teaching laws of classical mechanics and hydrostatics in non-inertial reference frames for undergraduate students is proposed. Pressure distribution in a liquid (or gas) moving with acceleration is considered. Combined effect of hydrostatic force and force of inertia on a body immersed in a liquid can lead to paradoxical results, in a motion of pendulum in particular. The body motion under Stokes force influence and forces in rotating reference frames are investigated as well. Problems and difficulties in student perceptions are analyzed.

Keywords: Hydrodynamics, mechanics, non-inertial reference frames, teaching.

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263 Fatigue Failure of Structural Steel – Analysis Using Fracture Mechanics

Authors: Shine U P, EMS Nair

Abstract:

Fatigue is the major threat in service of steel structure subjected to fluctuating loads. With the additional effect of corrosion and presence of weld joints the fatigue failure may become more critical in structural steel. One of the apt examples of such structural is the sailing ship. This is experiencing a constant stress due to floating and a pulsating bending load due to the waves. This paper describes an attempt to verify theory of fatigue in fracture mechanics approach with experimentation to determine the constants of crack growth curve. For this, specimen is prepared from the ship building steel and it is subjected to a pulsating bending load with a known defect. Fatigue crack and its nature is observed in this experiment. Application of fracture mechanics approach in fatigue with a simple practical experiment is conducted and constants of crack growth equation are investigated.

Keywords: fatigue, fracture mechanics, fatigue testing machine

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262 Performance Evaluation of a Limited Round-Robin System

Authors: Yoshiaki Shikata

Abstract:

Performance of a limited Round-Robin (RR) rule is studied in order to clarify the characteristics of a realistic sharing model of a processor. Under the limited RR rule, the processor allocates to each request a fixed amount of time, called a quantum, in a fixed order. The sum of the requests being allocated these quanta is kept below a fixed value. Arriving requests that cannot be allocated quanta because of such a restriction are queued or rejected. Practical performance measures, such as the relationship between the mean sojourn time, the mean number of requests, or the loss probability and the quantum size are evaluated via simulation. In the evaluation, the requested service time of an arriving request is converted into a quantum number. One of these quanta is included in an RR cycle, which means a series of quanta allocated to each request in a fixed order. The service time of the arriving request can be evaluated using the number of RR cycles required to complete the service, the number of requests receiving service, and the quantum size. Then an increase or decrease in the number of quanta that are necessary before service is completed is reevaluated at the arrival or departure of other requests. Tracking these events and calculations enables us to analyze the performance of our limited RR rule. In particular, we obtain the most suitable quantum size, which minimizes the mean sojourn time, for the case in which the switching time for each quantum is considered.

Keywords: Limited RR rule, quantum, processor sharing, sojourn time, performance measures, simulation, loss probability.

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261 Two-Photon Fluorescence in N-Doped Graphene Quantum Dots

Authors: Chi Man Luk, Ming Kiu Tsang, Chi Fan Chan, Shu Ping Lau

Abstract:

Nitrogen-doped graphene quantum dots (N-GQDs) were fabricated by microwave-assisted hydrothermal technique. The optical properties of the N-GQDs were studied. The luminescence of the N-GQDs can be tuned by varying the excitation wavelength. Furthermore, two-photon luminescence of the N-GQDs excited by near-infrared laser can be obtained. It is shown that N-doping play a key role on two-photon luminescence. The N-GQDs are expected to find application in biological applications including bioimaging and sensing.

Keywords: Graphene quantum dots, nitrogen doping, photoluminescence, two-photon fluorescence.

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260 Nonlinear Solitary Structures of Electron Plasma Waves in a Finite Temperature Quantum Plasma

Authors: Swarniv Chandra, Basudev Ghosh

Abstract:

Nonlinear solitary structures of electron plasma waves have been investigated by using nonlinear quantum fluid equations for electrons with an arbitrary temperature. It is shown that the electron degeneracy parameter has significant effects on the linear and nonlinear properties of electron plasma waves. Depending on its value both compressive and rarefactive solitons can be excited in the model plasma under consideration.

Keywords: Electron Plasma Waves, Finite Temperature Model, Modulational Instability, Quantum Plasma, Solitary structure

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259 Application of Genetic Algorithms for Evolution of Quantum Equivalents of Boolean Circuits

Authors: Swanti Satsangi, Ashish Gulati, Prem Kumar Kalra, C. Patvardhan

Abstract:

Due to the non- intuitive nature of Quantum algorithms, it becomes difficult for a classically trained person to efficiently construct new ones. So rather than designing new algorithms manually, lately, Genetic algorithms (GA) are being implemented for this purpose. GA is a technique to automatically solve a problem using principles of Darwinian evolution. This has been implemented to explore the possibility of evolving an n-qubit circuit when the circuit matrix has been provided using a set of single, two and three qubit gates. Using a variable length population and universal stochastic selection procedure, a number of possible solution circuits, with different number of gates can be obtained for the same input matrix during different runs of GA. The given algorithm has also been successfully implemented to obtain two and three qubit Boolean circuits using Quantum gates. The results demonstrate the effectiveness of the GA procedure even when the search spaces are large.

Keywords: Ancillas, Boolean functions, Genetic algorithm, Oracles, Quantum circuits, Scratch bit

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258 FPGA Implementation of the BB84 Protocol

Authors: Jaouadi Ikram, Machhout Mohsen

Abstract:

The development of a quantum key distribution (QKD) system on a field-programmable gate array (FPGA) platform is the subject of this paper. A quantum cryptographic protocol is designed based on the properties of quantum information and the characteristics of FPGAs. The proposed protocol performs key extraction, reconciliation, error correction, and privacy amplification tasks to generate a perfectly secret final key. We modeled the presence of the spy in our system with a strategy to reveal some of the exchanged information without being noticed. Using an FPGA card with a 100 MHz clock frequency, we have demonstrated the evolution of the error rate as well as the amounts of mutual information (between the two interlocutors and that of the spy) passing from one step to another in the key generation process.

Keywords: QKD, BB84, protocol, cryptography, FPGA, key, security, communication.

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257 Magnetic Field Effects on Parabolic Graphene Quantum Dots with Topological Defects

Authors: Defne Akay, Bekir S. Kandemir

Abstract:

In this paper, we investigate the low-lying energy levels of the two-dimensional parabolic graphene quantum dots (GQDs) in the presence of topological defects with long range Coulomb impurity and subjected to an external uniform magnetic field. The low-lying energy levels of the system are obtained within the framework of the perturbation theory. We theoretically demonstrate that a valley splitting can be controlled by geometrical parameters of the graphene quantum dots and/or by tuning a uniform magnetic field, as well as topological defects. It is found that, for parabolic graphene dots, the valley splitting occurs due to the introduction of spatial confinement. The corresponding splitting is enhanced by the introduction of a uniform magnetic field and it increases by increasing the angle of the cone in subcritical regime.

Keywords: Coulomb impurity, graphene cones, graphene quantum dots, topological defects.

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256 Characterization of InGaAsP/InP Quantum Well Lasers

Authors: K. Melouk, M. Dellakrachai

Abstract:

Analytical formula for the optical gain based on a simple parabolic-band by introducing theoretical expressions for the quantized energy is presented. The model used in this treatment take into account the effects of intraband relaxation. It is shown, as a result, that the gain for the TE mode is larger than that for TM mode and the presence of acceptor impurity increase the peak gain.

Keywords: Laser, quantum well, semiconductor, InGaAsP.

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255 Recent Advances on Computational Proteomics

Authors: Sérgio F. Sousa, Nuno M. F. S. A. Cerqueira, Marta A. S. Perez, Irina S. Moreira, António J. M.Ribeiro, Ana R. A. P. Neves, Maria J. Ramos, Pedro A. Fernandes

Abstract:

In this work we report the recent progresses that have been achieved by our group in the last half decade on the field of computational proteomics. Specifically, we discuss the application of Molecular Dynamics Simulations and Electronic Structure Calculations in drug design, in the clarification of the structural and dynamic properties of proteins and enzymes and in the understanding of the catalytic and inhibition mechanism of cancer-related enzymes. A set of examples illustrate the concepts and help to introduce the reader into this important and fast moving field.

Keywords: Enzyme, Molecular Dynamics, Protein, Quantum Mechanics.

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254 InAlGaN Quaternary Multi-Quantum Wells UVLaser Diode Performance and Characterization

Authors: S. M. Thahab, H. Abu Hassan, Z. Hassan

Abstract:

The InAlGaN alloy has only recently began receiving serious attention into its growth and application. High quality InGaN films have led to the development of light emitting diodes (LEDs) and blue laser diodes (LDs). The quaternary InAlGaN however, represents a more versatile material since the bandgap and lattice constant can be independently varied. We report an ultraviolet (UV) quaternary InAlGaN multi-quantum wells (MQWs) LD study by using the simulation program of Integrated System Engineering (ISE TCAD). Advanced physical models of semiconductor properties were used in order to obtain an optimized structure. The device performance which is affected by piezoelectric and thermal effects was studied via drift-diffusion model for carrier transport, optical gain and loss. The optical performance of the UV LD with different numbers of quantum wells was numerically investigated. The main peak of the emission wavelength for double quantum wells (DQWs) was shifted from 358 to 355.8 nm when the forward current was increased. Preliminary simulated results indicated that better output performance and lower threshold current could be obtained when the quantum number is four, with output power of 130 mW and threshold current of 140 mA.

Keywords: Nitride semiconductors, InAlGaN quaternary, UVLD, numerical simulation.

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253 Aqueous Ranitidine Elimination in Photolytic Processes

Authors: Javier Rivas, Olga Gimeno, Maria Carbajo, Teresa Borralho

Abstract:

The elimination of ranitidine (a pharmaceutical compound) has been carried out in the presence of UV-C radiation. After some preliminary experiments, it has been experienced the no influence of the gas nature (air or oxygen) bubbled in photolytic experiments. From simple photolysis experiments the quantum yield of this compound has been determined. Two photolytic approximation has been used, the linear source emission in parallel planes and the point source emission in spherical planes. The quantum yield obtained was in the proximity of 0.05 mol Einstein-1 regardless of the method used. Addition of free radical promoters (hydrogen peroxide) increases the ranitidine removal rate while the use of photocatalysts (TiO2) negatively affects the process.

Keywords: Quantum yield, photolysis, ranitidine, watertreatment.

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252 Winding Numbers of Paths of Analytic Functions Zeros in Finite Quantum Systems

Authors: Muna Tabuni

Abstract:

The paper contains an investigation of winding numbers of paths of zeros of analytic theta functions. We have considered briefly an analytic representation of finite quantum systems ZN. The analytic functions on a torus have exactly N zeros. The brief introduction to the zeros of analytic functions and there time evolution is given. We have discussed the periodic finite quantum systems. We have introduced the winding numbers in general. We consider the winding numbers of the zeros of analytic theta functions.

Keywords: Winding numbers, period, paths of zeros.

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251 A Quantum-Inspired Evolutionary Algorithm forMultiobjective Image Segmentation

Authors: Hichem Talbi, Mohamed Batouche, Amer Draa

Abstract:

In this paper we present a new approach to deal with image segmentation. The fact that a single segmentation result do not generally allow a higher level process to take into account all the elements included in the image has motivated the consideration of image segmentation as a multiobjective optimization problem. The proposed algorithm adopts a split/merge strategy that uses the result of the k-means algorithm as input for a quantum evolutionary algorithm to establish a set of non-dominated solutions. The evaluation is made simultaneously according to two distinct features: intra-region homogeneity and inter-region heterogeneity. The experimentation of the new approach on natural images has proved its efficiency and usefulness.

Keywords: Image segmentation, multiobjective optimization, quantum computing, evolutionary algorithms.

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250 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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249 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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248 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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247 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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246 The Study on Mechanical Properties of Graphene Using Molecular Mechanics

Authors: I-Ling Chang, Jer-An Chen

Abstract:

The elastic properties and fracture of two-dimensional graphene were calculated purely from the atomic bonding (stretching and bending) based on molecular mechanics method. Considering the representative unit cell of graphene under various loading conditions, the deformations of carbon bonds and the variations of the interlayer distance could be realized numerically under the geometry constraints and minimum energy assumption. In elastic region, it was found that graphene was in-plane isotropic. Meanwhile, the in-plane deformation of the representative unit cell is not uniform along armchair direction due to the discrete and non-uniform distributions of the atoms. The fracture of graphene could be predicted using fracture criteria based on the critical bond length, over which the bond would break. It was noticed that the fracture behavior were directional dependent, which was consistent with molecular dynamics simulation results.

Keywords: Energy minimization, fracture, graphene, molecular mechanics.

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245 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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244 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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243 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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242 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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241 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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240 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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239 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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238 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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