Search results for: quantum calculations
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 514

Search results for: quantum calculations

454 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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453 Solvatochromic Shift and Estimation of Dipole Moment of Quinine Sulphate Dication

Authors: S. Joshi, D. Pant

Abstract:

Absorption and fluorescence spectra of quinine sulphate (QSD) have been recorded at room temperature in wide range of solvents of different polarities. The ground-state dipole moment of QSD was obtained from quantum mechanical calculations and the excited state dipole moment of QSD was estimated from Bakhshiev-s and Kawski-Chamma-Viallet-s equations by means of solvatochromic shift method. Higher value of dipole moment is observed for excited state as compared to the corresponding ground state value and this is attributed to the more polar excited state of QSD.

Keywords: Dipole moment, Quinine sulphate dication, Solvatochromic shift

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452 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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451 Thermal Load Calculations of Multilayered Walls

Authors: Bashir M. Suleiman

Abstract:

Thermal load calculations have been performed for multi-layered walls that are composed of three different parts; a common (sand and cement) plaster, and two types of locally produced soft and hard bricks. The masonry construction of these layered walls was based on concrete-backed stone masonry made of limestone bricks joined by mortar. These multilayered walls are forming the outer walls of the building envelope of a typical Libyan house. Based on the periodic seasonal weather conditions, within the Libyan cost region during summer and winter, measured thermal conductivity values were used to implement such seasonal variation of heat flow and the temperature variations through the walls. The experimental measured thermal conductivity values were obtained using the Hot Disk technique. The estimation of the thermal resistance of the wall layers ( R-values) is based on measurements and calculations. The numerical calculations were done using a simplified analytical model that considers two different wall constructions which are characteristics of such houses. According to the obtained results, the R-values were quite low and therefore, several suggestions have been proposed to improve the thermal loading performance that will lead to a reasonable human comfort and reduce energy consumption.

Keywords: Thermal loading, multilayered walls, Libyan bricks, thermal resistance

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450 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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449 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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448 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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447 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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446 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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445 Gravitational Frequency Shifts for Photons and Particles

Authors: Jing-Gang Xie

Abstract:

The research, in this case, considers the integration of the Quantum Field Theory and the General Relativity Theory. As two successful models in explaining behaviors of particles, they are incompatible since they work at different masses and scales of energy, with the evidence that regards the description of black holes and universe formation. It is so considering previous efforts in merging the two theories, including the likes of the String Theory, Quantum Gravity models, and others. In a bid to prove an actionable experiment, the paper’s approach starts with the derivations of the existing theories at present. It goes on to test the derivations by applying the same initial assumptions, coupled with several deviations. The resulting equations get similar results to those of classical Newton model, quantum mechanics, and general relativity as long as conditions are normal. However, outcomes are different when conditions are extreme, specifically with no breakdowns even for less than Schwarzschild radius, or at Planck length cases. Even so, it proves the possibilities of integrating the two theories.

Keywords: General relativity theory, particles, photons, quantum gravity model, gravitational frequency shift.

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444 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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443 Problems and Possible Solutions with the Development of a Computer Model of Quantum Theory

Authors: Hans H. Diel

Abstract:

A computer model of Quantum Theory (QT) has been developed by the author. Major goal of the computer model was support and demonstration of an as large as possible scope of QT. This includes simulations for the major QT (Gedanken-) experiments such as, for example, the famous double-slit experiment. Besides the anticipated difficulties with (1) transforming exacting mathematics into a computer program, two further types of problems showed up, namely (2) areas where QT provides a complete mathematical formalism, but when it comes to concrete applications the equations are not solvable at all, or only with extremely high effort; (3) QT rules which are formulated in natural language and which do not seem to be translatable to precise mathematical expressions, nor to a computer program. The paper lists problems in all three categories and describes also the possible solutions or circumventions developed for the computer model.

Keywords: Computability, Foundation of Quantum Mechanics, Measurement Process, Modeling.

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442 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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441 DD Models for Reports Building

Authors: Ljerka Hrženjak-Šego, Željko Polić, Zdravka Aljinović

Abstract:

In general, reports are a form of representing data in such way that user gets the information he needs. They can be built in various ways, from the simplest (“select from") to the most complex ones (results derived from different sources/tables with complex formulas applied). Furthermore, rules of calculations could be written as a program hard code or built in the database to be used by dynamic code. This paper will introduce two types of reports, defined in the DB structure. The main goal is to manage calculations in optimal way, keeping maintenance of reports as simple and smooth as possible.

Keywords: Data Definition diagram, Server Model Diagram, system modelling, reports.

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440 Electron Filling Factor and Sunlight Concentration Effects on the Efficiency of Intermediate Band Solar Cell

Authors: Nima Es'haghi Gorji, Hossein Movla, Foozieh Sohrabi, Alireza Mottaghizadeh, Mohammad Houshmand, Hassan Babaei, Arash Nikniazi

Abstract:

For a determined intermediate band position, the effects of electron filling factor and sunlight concentration on the active region thickness and efficiency of the quantum-dot intermediate band solar cell are calculated. For each value of electron filling factor, the maximum point of efficiency obtained and resulted in the optimum thickness of the cell under three different sunlight concentrations. We show the importance of filling factor as a parameter to be more considered. The photon recycling effect eliminated in all calculations.

Keywords: Intermediate band, Sunlight concentration, Efficiency limits, Electron filling factor

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439 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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438 Steady State Power Flow Calculations with STATCOM under Load Increase Scenario and Line Contingencies

Authors: A. S. Telang, P. P. Bedekar

Abstract:

Flexible AC transmission system controllers play an important role in controlling the line power flow and in improving voltage profiles of the power system network. They can be used to increase the reliability and efficiency of transmission and distribution system. The modeling of these FACTS controllers in power flow calculations have become a challenging research problem. This paper presents a simple and systematic approach for a steady state power flow calculations of power system with STATCOM (Static Synchronous Compensator). It shows how systematically STATCOM can be implemented in conventional power flow calculations. The main contribution of this paper is to investigate this approach for two special conditions i.e. consideration of load increase pattern incorporating load change (active, reactive and both active and reactive) at all load buses simultaneously and the line contingencies under such load change. Such investigation proves to be relevant for determination of strategy for the optimal placement of STATCOM to enhance the voltage stability. The performance has been evaluated on many standard IEEE test systems. The results for standard IEEE-30 bus test system are presented here.

Keywords: Load flow analysis, Newton-Raphson (N-R) power flow, Flexible AC transmission system, FACTS, Static synchronous compensator, STATCOM, voltage profile.

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437 A Comparison of Energy Calculations for a Single-Family Detached Home with Two Energy Simulation Methods

Authors: Amir Sattari

Abstract:

For newly produced houses and energy renovations, an energy calculation needs to be conducted. This is done to verify whether the energy consumption criteria of the house -to reach the energy targets by 2020 and 2050- are in-line with the norms. The main purpose of this study is to confirm whether easy to use energy calculation software or hand calculations used by small companies or individuals give logical results compared to advanced energy simulation program used by researchers or bigger companies. There are different methods for calculating energy consumption. In this paper, two energy calculation programs are used and the relation of energy consumption with solar radiation is compared. A hand calculation is also done to validate whether the hand calculations are still reasonable. The two computer programs which have been used are TMF Energi (the easy energy calculation variant used by small companies or individuals) and IDA ICE - Indoor Climate and Energy (the advanced energy simulation program used by researchers or larger companies). The calculations are done for a standard house from the Swedish house supplier Fiskarhedenvillan. The method is based on having the same conditions and inputs in the different calculation forms so that the results can be compared and verified. The house has been faced differently to see how the orientation affects energy consumption in different methods. The results for the simulations are close to each other and the hand calculation differs from the computer programs by only 5%. Even if solar factors differ due to the orientation of the house, energy calculation results from different computer programs and even hand calculation methods are in line with each other.

Keywords: Energy calculation, energy consumption, energy simulation, IDA ICE, TMF Energi.

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436 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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435 The Model Establishment and Analysis of TRACE/MELCOR for Kuosheng Nuclear Power Plant Spent Fuel Pool

Authors: W. S. Hsu, Y. Chiang, Y. S. Tseng, J. R. Wang, C. Shih, S. W. Chen

Abstract:

Kuosheng nuclear power plant (NPP) is a BWR/6 plant in Taiwan. There is more concern for the safety of NPPs in Taiwan after Japan Fukushima NPP disaster occurred. Hence, in order to estimate the safety of Kuosheng NPP spent fuel pool (SFP), by using TRACE, MELCOR, and SNAP codes, the safety analysis of Kuosheng NPP SFP was performed. There were two main steps in this research. First, the Kuosheng NPP SFP models were established. Second, the transient analysis of Kuosheng SFP was done by TRACE and MELCOR under the cooling system failure condition (Fukushima-like condition). The results showed that the calculations of MELCOR and TRACE were very similar in this case, and the fuel uncover happened roughly at 4th day after the failure of cooling system. The above results indicated that Kuosheng NPP SFP may be unsafe in the case of long-term SBO situation. In addition, future calculations were needed to be done by the other codes like FRAPTRAN for the cladding calculations.

Keywords: TRACE, MELCOR, SNAP, spent fuel pool.

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434 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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433 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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432 Neutron Flux Characterization for Radioisotope Production at ETRR-2

Authors: A. M. Hassanain, Nader M. A. Mohamed, M. Naguib Aly, Alya A. Badawi, M. A. Gaheen

Abstract:

The thermal, epithermal and fast fluxes were calculated for three irradiation channels at Egypt Second Research Reactor (ETRR-2) using CITVAP code. The validity of the calculations was verified by experimental measurements. There are some deviations between measurements and calculations. This is due to approximations in the calculation models used, homogenization of regions, condensation of energy groups and uncertainty in nuclear data used. Neutron flux data for the three irradiation channels are now available. This would enable predicting the irradiation conditions needed for future radioisotope production.

Keywords: ETRR-2, Neutron flux, Radioisotope production, CITVAP

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431 The Applications of Quantum Mechanics Simulation for Solvent Selection in Chemicals Separation

Authors: Attapong T., Hong-Ming Ku, Nakarin M., Narin L., Alisa L, Jirut W.

Abstract:

The quantum mechanics simulation was applied for calculating the interaction force between 2 molecules based on atomic level. For the simple extractive distillation system, it is ternary components consisting of 2 closed boiling point components (A,lower boiling point and B, higher boiling point) and solvent (S). The quantum mechanics simulation was used to calculate the intermolecular force (interaction force) between the closed boiling point components and solvents consisting of intermolecular between A-S and B-S. The requirement of the promising solvent for extractive distillation is that solvent (S) has to form stronger intermolecular force with only one component than the other component (A or B). In this study, the systems of aromatic-aromatic, aromatic-cycloparaffin, and paraffindiolefin systems were selected as the demonstration for solvent selection. This study defined new term using for screening the solvents called relative interaction force which is calculated from the quantum mechanics simulation. The results showed that relative interaction force gave the good agreement with the literature data (relative volatilities from the experiment). The reasons are discussed. Finally, this study suggests that quantum mechanics results can improve the relative volatility estimation for screening the solvents leading to reduce time and money consuming

Keywords: Extractive distillation, Interaction force, Quamtum mechanic, Relative volatility, Solvent extraction.

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430 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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429 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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428 Structural and Optical Properties of CdSiP2 and CdSiAs2 Nonlinear Optical Materials

Authors: N. N. Omehe

Abstract:

CdSiP2 and CdsiAs2 are nonlinear optical materials for near and mid-infrared applications. Density functional theory has been applied to study the structure, band gap, and optical properties of these materials. The pseudopotential method was used in the form of projector augmented wave (PAW) and norm-conserving, the band structure calculations yielded a band gap of 1.55 eV and 0.88 eV for CdSiP2 and CdsiAs2 respectively. The values of ε1(ω)  from the doelectric function calculations are 15 and 14.9 CdSiP2 and CdsiAs2 respectively.

Keywords: Band structure, chalcopyrite, near-infrared materials, mid-infrared materials, nonlinear material, optical properties.

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427 Modeling and Simulations of Complex Low- Dimensional systems: Testing the Efficiency of Parallelization

Authors: Ryszard Matysiak, Grzegorz Kamieniarz

Abstract:

The deterministic quantum transfer-matrix (QTM) technique and its mathematical background are presented. This important tool in computational physics can be applied to a class of the real physical low-dimensional magnetic systems described by the Heisenberg hamiltonian which includes the macroscopic molecularbased spin chains, small size magnetic clusters embedded in some supramolecules and other interesting compounds. Using QTM, the spin degrees of freedom are accurately taken into account, yielding the thermodynamical functions at finite temperatures. In order to test the application for the susceptibility calculations to run in the parallel environment, the speed-up and efficiency of parallelization are analyzed on our platform SGI Origin 3800 with p = 128 processor units. Using Message Parallel Interface (MPI) system libraries we find the efficiency of the code of 94% for p = 128 that makes our application highly scalable.

Keywords: Deterministic simulations, low-dimensional magnets, modeling of complex systems, parallelization.

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426 Process Analysis through Length Consistency

Authors: James E. Ponder

Abstract:

The requirement for consistency in physics can sometimes offer a common ground between disciplines such that their fundamental equations share a common parameter set and mathematical method for equation extraction. The parameter set shared by Relativity and Quantum Wave Mechanics enables an analysis which will be seen to be very straightforward, primarily classical in nature using linear algebra concepts, yet deriving a theoretical estimate of the value of the Gravitational Constant along with dependencies never before known.

Keywords: Gravitational Constant, Physical Consistency, Quantum Mechanics, Relativity.

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425 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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