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

Search results for: quantum calculations

424 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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423 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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422 Description of Kinetics of Propane Fragmentation with a Support of Ab Initio Simulation

Authors: Amer Al Mahmoud Alsheikh, Jan Žídek, František Krčma

Abstract:

Using ab initio theoretical calculations, we present analysis of fragmentation process. The analysis is performed in two steps. The first step is calculation of fragmentation energies by ab initio calculations. The second step is application of the energies to kinetic description of process. The energies of fragments are presented in this paper. The kinetics of fragmentation process can be described by numerical models. The method for kinetic analysis is described in this paper. The result - composition of fragmentation products - will be calculated in future. The results from model can be compared to the concentrations of fragments from mass spectrum.

Keywords: Ab initio, Density functional theory, Fragmentation energy, Geometry optimization.

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421 Design and Production of Thin-Walled UHPFRC Footbridge

Authors: P. Tej, P. Kněž, M. Blank

Abstract:

The paper presents design and production of thin-walled U-profile footbridge made of UHPFRC. The main structure of the bridge is one prefabricated shell structure made of UHPFRC with dispersed steel fibers without any conventional reinforcement. The span of the bridge structure is 10 m and the clear width of 1.5 m. The thickness of the UHPFRC shell structure oscillated in an interval of 30-45 mm. Several calculations were made during the bridge design and compared with the experiments. For the purpose of verifying the calculations, a segment of 1.5 m was first produced, followed by the whole footbridge for testing. After the load tests were done, the design was optimized to cast the final footbridge.

Keywords: Footbridge, UHPFRC, non-linear analysis, shell structure.

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420 Numerical Study for Structural Design of Composite Rotor with Crack Initiation

Authors: A. Chellil, A. Nour, S. Lecheb, H. Mechakra, A. Bouderba, H. Kebir

Abstract:

In this paper, a coupled damage effect in the instability of a composite rotor is presented, under dynamic loading response in the harmonic analysis condition. The analysis of the stress which operates the rotor is done. Calculations of different energies and the virtual work of the aerodynamic loads from the rotor blade are developed. The use of the composite material for the rotor offers a good stability. Numerical calculations on the model developed prove that the damage effect has a negative effect on the stability of the rotor. The study of the composite rotor in transient system allowed determining the vibratory responses due to various excitations.

Keywords: Rotor, composite, damage, finite element, numerical.

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419 Energy Consumption and Carbon Calculations of Microalgae Biodiesel

Authors: Tao Zhao, Zhao Liu, Changxin Zhao, Cui Mao

Abstract:

At present, the severe oil crisis and greenhouse effect are booming, which is a growing worry for China. Over a long period of study, choosing the development of biological diesel is a feasible way in the desertification region in China. With considering the adaptability of Micro-algae in desertification region and analyzing energy consumption and carbon calculations of Micro-algae biodiesel produced by JJ company , this paper, make the microalgae our optimal choice to develop biological diesel in china's desertification region.

Keywords: Biodiesel, Microalgae, Energy Consumption, CarbonCalculations

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418 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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417 Response of the Residential Building Structureon Load Technical Seismicity due to Mining Activities

Authors: V. Salajka, Z. Kaláb, J. Kala, P. Hradil

Abstract:

In the territories where high-intensity earthquakes are frequent is paid attention to the solving of the seismic problems. In the paper are described two computational model variants based on finite element method of the construction with different subsoil simulation (rigid or elastic subsoil) is used. For simulation and calculations program system based on method final elements ANSYS was used. Seismic responses calculations of residential building structure were effected on loading characterized by accelerogram for comparing with the responses spectra method.

Keywords: Accelerogram, ANSYS, mining induced seismic, residential building structure, spectra, subsoil.

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416 Influence of Non-Structural Elements on Dynamic Response of Multi-Storey Rc Building to Mining Shock

Authors: Joanna M. Dulińska, Maria Fabijańska

Abstract:

In the paper the results of calculations of the dynamic response of a multi-storey reinforced concrete building to a strong mining shock originated from the main region of mining activity in Poland (i.e. the Legnica-Glogow Copper District) are presented. The representative time histories of accelerations registered in three directions were used as ground motion data in calculations of the dynamic response of the structure. Two variants of a numerical model were applied: the model including only structural elements of the building and the model including both structural and non-structural elements (i.e. partition walls and ventilation ducts made of brick). It turned out that non-structural elements of multi-storey RC buildings have a small impact of about 10 % on natural frequencies of these structures. It was also proved that the dynamic response of building to mining shock obtained in case of inclusion of all non-structural elements in the numerical model is about 20 % smaller than in case of consideration of structural elements only. The principal stresses obtained in calculations of dynamic response of multi-storey building to strong mining shock are situated on the level of about 30% of values obtained from static analysis (dead load).

Keywords: Dynamic characteristics of buildings, mining shocks, dynamic response of buildings, non-structural elements

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415 High Performance In0.42Ga0.58As/In0.26Ga0.74As Vertical Cavity Surface Emitting Quantum Well Laser on In0.31Ga0.69As Ternary Substrate

Authors: Md. M. Biswas, Md. M. Hossain, Shaikh Nuruddin

Abstract:

This paper reports on the theoretical performance analysis of the 1.3 μm In0.42Ga0.58As /In0.26Ga0.74As multiple quantum well (MQW) vertical cavity surface emitting laser (VCSEL) on the ternary In0.31Ga0.69As substrate. The output power of 2.2 mW has been obtained at room temperature for 7.5 mA injection current. The material gain has been estimated to be ~3156 cm-1 at room temperature with the injection carrier concentration of 2×1017 cm-3. The modulation bandwidth of this laser is measured to be 9.34 GHz at room temperature for the biasing current of 2 mA above the threshold value. The outcomes reveal that the proposed InGaAsbased MQW laser is the promising one for optical communication system.

Keywords: Quantum well, VCSEL, output power, materialgain, modulation bandwidth.

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414 Propagation of Electron-Acoustic Solitary Waves in Weakly Relativistically Degenerate Fermi Plasma

Authors: Swarniv Chandra, Basudev Ghosh, S. N. Paul

Abstract:

Using one dimensional Quantum hydrodynamic (QHD) model Korteweg de Vries (KdV) solitary excitations of electron-acoustic waves (EAWs) have been examined in twoelectron- populated relativistically degenerate super dense plasma. It is found that relativistic degeneracy parameter influences the conditions of formation and properties of solitary structures.

Keywords: Relativistic Degeneracy, Electron-Acoustic Waves, Quantum Plasma, KdV Equation.

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413 Evaluation of Hydrogen Particle Volume on Surfaces of Selected Nanocarbons

Authors: M. Ziółkowska, J. T. Duda, J. Milewska-Duda

Abstract:

This paper describes an approach to the adsorption phenomena modeling aimed at specifying the adsorption mechanisms on localized or nonlocalized adsorbent sites, when applied to the nanocarbons. The concept comes from the fundamental thermodynamic description of adsorption equilibrium and is based on numerical calculations of the hydrogen adsorbed particles volume on the surface of selected nanocarbons: single-walled nanotube and nanocone. This approach enables to obtain information on adsorption mechanism and then as a consequence to take appropriate mathematical adsorption model, thus allowing for a more reliable identification of the material porous structure. Theoretical basis of the approach is discussed and newly derived results of the numerical calculations are presented for the selected nanocarbons.

Keywords: Adsorption, mathematical modeling, nanocarbons, numerical analysis.

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412 Screening Wheat Parents of Mapping Population for Heat and Drought Tolerance, Detection of Wheat Genetic Variation

Authors: H.R. Balouchi

Abstract:

To evaluate genetic variation of wheat (Triticum aestivum) affected by heat and drought stress on eight Australian wheat genotypes that are parents of Doubled Haploid (HD) mapping populations at the vegetative stage, the water stress experiment was conducted at 65% field capacity in growth room. Heat stress experiment was conducted in the research field under irrigation over summer. Result show that water stress decreased dry shoot weight and RWC but increased osmolarity and means of Fv/Fm values in all varieties except for Krichauff. Krichauff and Kukri had the maximum RWC under drought stress. Trident variety was shown maximum WUE, osmolarity (610 mM/Kg), dry mater, quantum yield and Fv/Fm 0.815 under water stress condition. However, the recovery of quantum yield was apparent between 4 to 7 days after stress in all varieties. Nevertheless, increase in water stress after that lead to strong decrease in quantum yield. There was a genetic variation for leaf pigments content among varieties under heat stress. Heat stress decreased significantly the total chlorophyll content that measured by SPAD. Krichauff had maximum value of Anthocyanin content (2.978 A/g FW), chlorophyll a+b (2.001 mg/g FW) and chlorophyll a (1.502 mg/g FW). Maximum value of chlorophyll b (0.515 mg/g FW) and Carotenoids (0.234 mg/g FW) content belonged to Kukri. The quantum yield of all varieties decreased significantly, when the weather temperature increased from 28 ÔùªC to 36 ÔùªC during the 6 days. However, the recovery of quantum yield was apparent after 8th day in all varieties. The maximum decrease and recovery in quantum yield was observed in Krichauff. Drought and heat tolerant and moderately tolerant wheat genotypes were included Trident, Krichauff, Kukri and RAC875. Molineux, Berkut and Excalibur were clustered into most sensitive and moderately sensitive genotypes. Finally, the results show that there was a significantly genetic variation among the eight varieties that were studied under heat and water stress.

Keywords: Abiotic stress, Genetic variation, Fluorescence, Wheat genotypes.

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411 Screening Wheat Parents of Mapping Population for Heat and Drought Tolerance, Detection of Wheat Genetic Variation

Authors: H.R. Balouchi

Abstract:

To evaluate genetic variation of wheat (Triticum aestivum) affected by heat and drought stress on eight Australian wheat genotypes that are parents of Doubled Haploid (HD) mapping populations at the vegetative stage, the water stress experiment was conducted at 65% field capacity in growth room. Heat stress experiment was conducted in the research field under irrigation over summer. Result show that water stress decreased dry shoot weight and RWC but increased osmolarity and means of Fv/Fm values in all varieties except for Krichauff. Krichauff and Kukri had the maximum RWC under drought stress. Trident variety was shown maximum WUE, osmolarity (610 mM/Kg), dry mater, quantum yield and Fv/Fm 0.815 under water stress condition. However, the recovery of quantum yield was apparent between 4 to 7 days after stress in all varieties. Nevertheless, increase in water stress after that lead to strong decrease in quantum yield. There was a genetic variation for leaf pigments content among varieties under heat stress. Heat stress decreased significantly the total chlorophyll content that measured by SPAD. Krichauff had maximum value of Anthocyanin content (2.978 A/g FW), chlorophyll a+b (2.001 mg/g FW) and chlorophyll a (1.502 mg/g FW). Maximum value of chlorophyll b (0.515 mg/g FW) and Carotenoids (0.234 mg/g FW) content belonged to Kukri. The quantum yield of all varieties decreased significantly, when the weather temperature increased from 28 ÔùªC to 36 ÔùªC during the 6 days. However, the recovery of quantum yield was apparent after 8th day in all varieties. The maximum decrease and recovery in quantum yield was observed in Krichauff. Drought and heat tolerant and moderately tolerant wheat genotypes were included Trident, Krichauff, Kukri and RAC875. Molineux, Berkut and Excalibur were clustered into most sensitive and moderately sensitive genotypes. Finally, the results show that there was a significantly genetic variation among the eight varieties that were studied under heat and water stress.

Keywords: Abiotic stress, genetic variation, fluorescence, wheat genotypes.

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410 Network of Coupled Stochastic Oscillators and One-way Quantum Computations

Authors: Eugene Grichuk, Margarita Kuzmina, Eduard Manykin

Abstract:

A network of coupled stochastic oscillators is proposed for modeling of a cluster of entangled qubits that is exploited as a computation resource in one-way quantum computation schemes. A qubit model has been designed as a stochastic oscillator formed by a pair of coupled limit cycle oscillators with chaotically modulated limit cycle radii and frequencies. The qubit simulates the behavior of electric field of polarized light beam and adequately imitates the states of two-level quantum system. A cluster of entangled qubits can be associated with a beam of polarized light, light polarization degree being directly related to cluster entanglement degree. Oscillatory network, imitating qubit cluster, is designed, and system of equations for network dynamics has been written. The constructions of one-qubit gates are suggested. Changing of cluster entanglement degree caused by measurements can be exactly calculated.

Keywords: network of stochastic oscillators, one-way quantumcomputations, a beam of polarized light.

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409 Some Characteristics of Systolic Arrays

Authors: Halil Snopce, Ilir Spahiu

Abstract:

In this paper is investigated a possible optimization of some linear algebra problems which can be solved by parallel processing using the special arrays called systolic arrays. In this paper are used some special types of transformations for the designing of these arrays. We show the characteristics of these arrays. The main focus is on discussing the advantages of these arrays in parallel computation of matrix product, with special approach to the designing of systolic array for matrix multiplication. Multiplication of large matrices requires a lot of computational time and its complexity is O(n3 ). There are developed many algorithms (both sequential and parallel) with the purpose of minimizing the time of calculations. Systolic arrays are good suited for this purpose. In this paper we show that using an appropriate transformation implicates in finding more optimal arrays for doing the calculations of this type.

Keywords: Data dependences, matrix multiplication, systolicarray, transformation matrix.

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408 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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407 Investigation about Structural and Optical Properties of Bulk and Thin Film of 1H-CaAlSi by Density Functional Method

Authors: M. Babaeipour, M. Vejdanihemmat

Abstract:

Optical properties of bulk and thin film of 1H-CaAlSi for two directions (1,0,0) and (0,0,1) were studied. The calculations are carried out by Density Functional Theory (DFT) method using full potential. GGA approximation was used to calculate exchange-correlation energy. The calculations are performed by WIEN2k package. The results showed that the absorption edge is shifted backward 0.82eV in the thin film than the bulk for both directions. The static values of the real part of dielectric function for four cases were obtained. The static values of the refractive index for four cases are calculated too. The reflectivity graphs have shown an intensive difference between the reflectivity of the thin film and the bulk in the ultraviolet region.

Keywords: 1H-CaAlSi, absorption, bulk, optical, thin film.

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406 Quantum-Like Approach for Deriving a Theory Describing the Concept of Interpretation

Authors: Yehuda Roth

Abstract:

In quantum theory, a system’s time evolution is predictable unless an observer performs measurement, as the measurement process can randomize the system. This randomness appears when the measuring device does not accurately describe the measured item, i.e., when the states characterizing the measuring device appear as a superposition of those being measured. When such a mismatch occurs, the measured data randomly collapse into a single eigenstate of the measuring device. This  scenario resembles the interpretation process in which the observer does not experience an objective reality but interprets it based on preliminary descriptions initially ingrained into his/her mind. This distinction is the motivation for the present study in which the collapse scenario is regarded as part of the interpretation process of the observer. By adopting the formalism of the quantum theory, we present a complete mathematical approach that describes the interpretation process. We demonstrate this process by applying the proposed interpretation formalism to the ambiguous image "My wife and mother-in-law" to identify whether a woman in the picture is young or old.

Keywords: Interpretation, ambiguous images, data reception, state matching, classification, determination.

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405 Conceptual Design of Unmanned Aerial Targets

Authors: M. Adamski, J. Cwiklak

Abstract:

The contemporary battlefield creates a demand for more costly and highly advanced munitions. Training personnel responsible for operations as well as immediate execution of combat tasks which engage real asset is unrealistic and economically not feasible. Owing to a wide array of exploited simulators and various types of imitators, it is possible to reduce the costs. One of the effective elements of training, which can be applied in the training of all service branches, is imitator of aerial targets. This research serves as an introduction to the commencement of design analysis over a real aerial target imitator. Within the project, the basic aerodynamic calculations were made, which enabled to determine its geometry, design layout, performance as well as mass balance of individual components. The conducted calculations of the parameters of flight characteristics come closer to the real performance of such Unmanned Aerial Vehicles.

Keywords: Aerial target, aerodynamics, imitator, performance.

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404 Critical Assessment of Scoring Schemes for Protein-Protein Docking Predictions

Authors: Dhananjay C. Joshi, Jung-Hsin Lin

Abstract:

Protein-protein interactions (PPI) play a crucial role in many biological processes such as cell signalling, transcription, translation, replication, signal transduction, and drug targeting, etc. Structural information about protein-protein interaction is essential for understanding the molecular mechanisms of these processes. Structures of protein-protein complexes are still difficult to obtain by biophysical methods such as NMR and X-ray crystallography, and therefore protein-protein docking computation is considered an important approach for understanding protein-protein interactions. However, reliable prediction of the protein-protein complexes is still under way. In the past decades, several grid-based docking algorithms based on the Katchalski-Katzir scoring scheme were developed, e.g., FTDock, ZDOCK, HADDOCK, RosettaDock, HEX, etc. However, the success rate of protein-protein docking prediction is still far from ideal. In this work, we first propose a more practical measure for evaluating the success of protein-protein docking predictions,the rate of first success (RFS), which is similar to the concept of mean first passage time (MFPT). Accordingly, we have assessed the ZDOCK bound and unbound benchmarks 2.0 and 3.0. We also createda new benchmark set for protein-protein docking predictions, in which the complexes have experimentally determined binding affinity data. We performed free energy calculation based on the solution of non-linear Poisson-Boltzmann equation (nlPBE) to improve the binding mode prediction. We used the well-studied thebarnase-barstarsystem to validate the parameters for free energy calculations. Besides,thenlPBE-based free energy calculations were conducted for the badly predicted cases by ZDOCK and ZRANK. We found that direct molecular mechanics energetics cannot be used to discriminate the native binding pose from the decoys.Our results indicate that nlPBE-based calculations appeared to be one of the promising approaches for improving the success rate of binding pose predictions.

Keywords: protein-protein docking, protein-protein interaction, molecular mechanics energetics, Poisson-Boltzmann calculations

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403 A Numerical Simulation of the Indoor Air Flow

Authors: Karel Frana, Jianshun S. Zhang, Milos Muller

Abstract:

The indoor airflow with a mixed natural/forced convection was numerically calculated using the laminar and turbulent approach. The Boussinesq approximation was considered for a simplification of the mathematical model and calculations. The results obtained, such as mean velocity fields, were successfully compared with experimental PIV flow visualizations. The effect of the distance between the cooled wall and the heat exchanger on the temperature and velocity distributions was calculated. In a room with a simple shape, the computational code OpenFOAM demonstrated an ability to numerically predict flow patterns. Furthermore, numerical techniques, boundary type conditions and the computational grid quality were examined. Calculations using the turbulence model k-omega had a significant effect on the results influencing temperature and velocity distributions.

Keywords: natural and forced convections, numerical simulations, indoor airflows.

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402 Ovshinsky Effect by Quantum Mechanics

Authors: Thomas V. Prevenslik

Abstract:

Ovshinsky initiated scientific research in the field of amorphous and disordered materials that continues to this day. The Ovshinsky Effect where the resistance of thin GST films is significantly reduced upon the application of low voltage is of fundamental importance in phase-change - random access memory (PC-RAM) devices.GST stands for GdSbTe chalcogenide type glasses.However, the Ovshinsky Effect is not without controversy. Ovshinsky thought the resistance of GST films is reduced by the redistribution of charge carriers; whereas, others at that time including many PC-RAM researchers today argue that the GST resistance changes because the GST amorphous state is transformed to the crystalline state by melting, the heat supplied by external heaters. In this controversy, quantum mechanics (QM) asserts the heat capacity of GST films vanishes, and therefore melting cannot occur as the heat supplied cannot be conserved by an increase in GST film temperature.By precluding melting, QM re-opens the controversy between the melting and charge carrier mechanisms. Supporting analysis is presented to show that instead of increasing GST film temperature, conservation proceeds by the QED induced creation of photons within the GST film, the QED photons confined by TIR. QED stands for quantum electrodynamics and TIR for total internal reflection. The TIR confinement of QED photons is enhanced by the fact the absorbedheat energy absorbed in the GST film is concentrated in the TIR mode because of their high surface to volume ratio. The QED photons having Planck energy beyond the ultraviolet produce excitons by the photoelectric effect, the electrons and holes of which reduce the GST film resistance.

Keywords: Ovshinsky, phase change memory, PC-RAM, chalcogenide, quantummechanics, quantum electrodynamics.

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401 Nonlinear Propagation of Acoustic Soliton Waves in Dense Quantum Electron-Positron Magnetoplasma

Authors: A. Abdikian

Abstract:

Propagation of nonlinear acoustic wave in dense electron-positron (e-p) plasmas in the presence of an external magnetic field and stationary ions (to neutralize the plasma background) is studied. By means of the quantum hydrodynamics model and applying the reductive perturbation method, the Zakharov-Kuznetsov equation is derived. Using the bifurcation theory of planar dynamical systems, the compressive structure of electrostatic solitary wave and periodic travelling waves is found. The numerical results show how the ion density ratio, the ion cyclotron frequency, and the direction cosines of the wave vector affect the nonlinear electrostatic travelling waves. The obtained results may be useful to better understand the obliquely nonlinear electrostatic travelling wave of small amplitude localized structures in dense magnetized quantum e-p plasmas and may be applicable to study the particle and energy transport mechanism in compact stars such as the interior of massive white dwarfs etc.

Keywords: Bifurcation theory, magnetized electron-positron plasma, phase portrait, the Zakharov-Kuznetsov equation.

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400 First-Principles Density Functional Study of Nitrogen-Doped P-Type ZnO

Authors: Abdusalam Gsiea, Ramadan Al-habashi, Mohamed Atumi, Khaled Atmimi

Abstract:

We present a theoretical investigation on the structural, electronic properties and vibrational mode of nitrogen impurities in ZnO. The atomic structures, formation and transition energies and vibrational modes of (NO3)i interstitial or NO4 substituting on an oxygen site ZnO were computed using ab initio total energy methods. Based on Local density functional theory, our calculations are in agreement with one interpretation of bound-excition photoluminescence for N-doped ZnO. First-principles calculations show that (NO3)i defects interstitial or NO4 substituting on an Oxygen site in ZnO are important suitable impurity for p-type doping in ZnO. However, many experimental efforts have not resulted in reproducible p-type material with N2 and N2O doping. by means of first-principle pseudo-potential calculation we find that the use of NO or NO2 with O gas might help the experimental research to resolve the challenge of achieving p-type ZnO.

Keywords: Density functional theory, nitrogen, p-type, ZnO.

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399 Decoy-pulse Protocol for Frequency-coded Quantum Key Distribution

Authors: Sudeshna Bhattacharya, Pratyush Pandey, Pradeep Kumar K

Abstract:

We propose a decoy-pulse protocol for frequency-coded implementation of B92 quantum key distribution protocol. A direct extension of decoy-pulse method to frequency-coding scheme results in security loss as an eavesdropper can distinguish between signal and decoy pulses by measuring the carrier photon number without affecting other statistics. We overcome this problem by optimizing the ratio of carrier photon number of decoy-to-signal pulse to be as close to unity as possible. In our method the switching between signal and decoy pulses is achieved by changing the amplitude of RF signal as opposed to modulating the intensity of optical signal thus reducing system cost. We find an improvement by a factor of 100 approximately in the key generation rate using decoy-state protocol. We also study the effect of source fluctuation on key rate. Our simulation results show a key generation rate of 1.5×10-4/pulse for link lengths up to 70km. Finally, we discuss the optimum value of average photon number of signal pulse for a given key rate while also optimizing the carrier ratio.

Keywords: B92, decoy-pulse, frequency-coding, quantum key distribution.

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398 Agent-Based Offline Electronic Voting

Authors: Mehmet Tahir Sandıkkaya, Bülent Örencik

Abstract:

Many electronic voting systems, classified mainly as homomorphic cryptography based, mix-net based and blind signature based, appear after the eighties when zero knowledge proofs were introduced. The common ground for all these three systems is that none of them works without real time cryptologic calculations that should be held on a server. As far as known, the agent-based approach has not been used in a secure electronic voting system. In this study, an agent-based electronic voting schema, which does not contain real time calculations on the server side, is proposed. Conventional cryptologic methods are used in the proposed schema and some of the requirements of an electronic voting system are constructed within the schema. The schema seems quite secure if the used cryptologic methods and agents are secure. In this paper, proposed schema will be explained and compared with already known electronic voting systems.

Keywords: Electronic voting, E-voting, Mobile softwareagents, Offline electronic voting.

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397 ZnS and Graphene Quantum Dots Nanocomposite as Potential Electron Acceptor for Photovoltaics

Authors: S. M. Giripunje, Shikha Jindal

Abstract:

Zinc sulphide (ZnS) quantum dots (QDs) were synthesized successfully via simple sonochemical method. X-ray diffraction (XRD), scanning electron microscopy (SEM) and high resolution transmission electron microscopy (HRTEM) analysis revealed the average size of QDs of the order of 3.7 nm. The band gap of the QDs was tuned to 5.2 eV by optimizing the synthesis parameters. UV-Vis absorption spectra of ZnS QD confirm the quantum confinement effect. Fourier transform infrared (FTIR) analysis confirmed the formation of single phase ZnS QDs. To fabricate the diode, blend of ZnS QDs and P3HT was prepared and the heterojunction of PEDOT:PSS and the blend was formed by spin coating on indium tin oxide (ITO) coated glass substrate. The diode behaviour of the heterojunction was analysed, wherein the ideality factor was found to be 2.53 with turn on voltage 0.75 V and the barrier height was found to be 1.429 eV. ZnS-Graphene QDs nanocomposite was characterised for the surface morphological study. It was found that the synthesized ZnS QDs appear as quasi spherical particles on the graphene sheets. The average particle size of ZnS-graphene nanocomposite QDs was found to be 8.4 nm. From voltage-current characteristics of ZnS-graphene nanocomposites, it is observed that the conductivity of the composite increases by 104 times the conductivity of ZnS QDs. Thus the addition of graphene QDs in ZnS QDs enhances the mobility of the charge carriers in the composite material. Thus, the graphene QDs, with high specific area for a large interface, high mobility and tunable band gap, show a great potential as an electron-acceptors in photovoltaic devices.

Keywords: Graphene, mobility, nanocomposites, photovoltaics, quantum dots, zinc sulphide.

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396 Cadmium Filter Cake of a Hydrometallurgical Zinc Smelter as a New Source for the Biological Synthesis of CdS Quantum Dots

Authors: Mehran Bakhshi, Mohammad Raouf Hosseini, Mohammadhosein Rahimi

Abstract:

The cadmium sulfide nanoparticles were synthesized from the nickel-cadmium cake of a hydrometallurgical zinc producing plant and sodium sulfide as Cd2+ and S-2 sources, respectively. Also, the synthesis process was performed by using the secretions of Bacillus licheniformis as bio-surfactant. Initially, in order to obtain a cadmium rich solution, two following steps were carried out: 1) Alkaline leaching for the removal of zinc oxide from the cake, and 2) acidic leaching to dissolve cadmium from the remained solid residue. Afterward, the obtained CdSO4 solution was used for the nanoparticle biosynthesis. Nanoparticles were characterized by the energy dispersive spectroscopy (EDS) and X-ray diffraction (XRD) to confirm the formation of CdS crystals with cubic structure. Also, transmission electron microscopy (TEM) was applied to determine the particle sizes which were in 2-10 nm range. Moreover, the presence of the protein containing bio-surfactants was approved by using infrared analysis (FTIR). In addition, the absorbance below 400 nm confirms quantum particles’ size. Finally, it was shown that valuable CdS quantum dots could be obtained from the industrial waste products via environment-friendly biological approaches.

Keywords: Biosynthesis, cadmium cake, cadmium sulfide, nanoparticle, zinc smelter.

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395 Plug and Play Interferometer Configuration using Single Modulator Technique

Authors: Norshamsuri Ali, Hafizulfika, Salim Ali Al-Kathiri, Abdulla Al-Attas, Suhairi Saharudin, Mohamed Ridza Wahiddin

Abstract:

We demonstrate single-photon interference over 10 km using a plug and play system for quantum key distribution. The quality of the interferometer is measured by using the interferometer visibility. The coding of the signal is based on the phase coding and the value of visibility is based on the interference effect, which result a number of count. The setup gives full control of polarization inside the interferometer. The quality measurement of the interferometer is based on number of count per second and the system produces 94 % visibility in one of the detectors.

Keywords: single photon, interferometer, quantum key distribution.

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