Search results for: cylindrical quantum dots

Authors: Jakub Havlicek, Jiri Cajthaml

Abstract:

The article describes the effect of the replacement of the used reference coordinate system in the georeferencing of an old map of Europe. The map was georeferenced into three types of projection – the equal-area conic (original cartographic projection), cylindrical Plate Carrée and cylindrical Mercator map projection. The map was georeferenced by means of the affine and the second-order polynomial transformation. The resulting georeferenced raster datasets from the Plate Carrée and Mercator projection were projected into the equal-area conic projection by means of projection equations. The output is the comparison of drawn graphics, the magnitude of standard deviations for individual projections and types of transformation.

Keywords: Georeferencing, reference coordinate system, transformation, standard deviation.

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

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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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Authors: Jing-Gang Xie

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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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Authors: Muna Tabuni

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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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Authors: Hans H. Diel

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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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Authors: Hichem Talbi, Mohamed Batouche, Amer Draa

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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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Authors: G. Rosaz, V. Semblanet, S. Calatroni, A. Sublet, M. Taborelli

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We report in this paper the design and qualification of a cylindrical unbalanced magnetron source. The dedicated magnetic assemblies were simulated using a finite element model. A hall-effect magnetic probe was then used to characterize those assemblies and compared to the theoretical magnetic profiles. These show a good agreement between the expected and actual values. The qualification of the different magnetic assemblies was then performed by measuring the ion flux density reaching the surface of the sample to be coated using a commercial retarding field energy analyzer. The strongest unbalanced configuration shows an increase from 0.016 A.cm^-2 to 0.074 A.cm^-2 of the ion flux density reaching the sample surface compared to the standard balanced configuration for a pressure 5.10^-3 mbar and a plasma source power of 300 W.

Keywords: Ion energy distribution, niobium, retarding field energy analyzer, sputtering, SRF cavity, unbalanced magnetron.

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Authors: Hitham M. Tlilan

Abstract:

Using finite element method (FEM), the elastic new strain-concentration factor (SNCF) of cylindrical bars with circumferential flat-bottom groove is studied. This new SNCF has been defined under triaxial stress state. The employed specimens have constant groove depth with net section and gross diameters of 10.0 and 16.7 mm, respectively. The length of flatness ao has been varied form 0.0 ~12.5 mm to study the elastic SNCF of this type of geometrical irregularities. The results that the elastic new SNCF rapidly drops from its elastic value of the groove with ao = 0.0, i.e. circumferential U-notch, and reaches minimum value at ao = 2 mm. After that the elastic new SNCF becomes nearly constant with increasing flatness length (ao). The value of tensile load at yielding at the groove root increases with increasing ao. The current results show that severity of the notch decreases with increasing flatness length ao.

Keywords: Bar, groove, strain, tension

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Authors: Amrita Tripathi, Neeru Adlakha

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Calcium [Ca2+] dynamics is studied as a potential form of neuron excitability that can control many irregular processes like metabolism, secretion etc. Ca2+ ion enters presynaptic terminal and increases the synaptic strength and thus triggers the neurotransmitter release. The modeling and analysis of calcium dynamics in neuron cell becomes necessary for deeper understanding of the processes involved. A mathematical model has been developed for cylindrical shaped neuron cell by incorporating physiological parameters like buffer, diffusion coefficient, and association rate. Appropriate initial and boundary conditions have been framed. The closed form solution has been developed in terms of modified Bessel function. A computer program has been developed in MATLAB 7.11 for the whole approach.

Keywords: Laplace Transform, Modified Bessel function, reaction diffusion equation, diffusion coefficient, excess buffer, calcium influx

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

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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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Authors: J. Arashmehr, G. H. Rahimi, S.F.Rasouli

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Grid composite structures have many applications in aerospace industry in which deal with transverse loadings abundantly. In present paper a stiffened composite cylindrical shell with clamped-free boundary condition under transverse end load experimentally and numerically was studied. Some electrical strain gauges were employed to measure the strains. Also a finite element analysis was done for validation of experimental result. The FEM software used was ANSYS11. In addition, the results between stiffened composite shell and unstiffened composite shell were compared. It was observed that intersection of two stiffeners has an important effect in decrease of stress in the shell. Fairly good agreements were observed between the numerical and the measured results. According to recent studies about grid composite structures, it should be noted that any investigation like this research has not been reported.

Keywords: Grid composite structure, Transverse loadings, Strain measurement, Finite element analysis

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Authors: Inamullah Bhatti, Ahsanullah Baloch, Khadija Qureshi

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The objective of this research is to examine the shear thinning behaviour of mixing flow of non-Newtonian fluid like toothpaste in the dissolution container with rotating stirrer. The problem under investigation is related to the chemical industry. Mixing of fluid is performed in a cylindrical container with rotating stirrer, where stirrer is eccentrically placed on the lid of the container. For the simulation purpose the associated motion of the fluid is considered as revolving of the container, with stick stirrer. For numerical prediction, a time-stepping finite element algorithm in a cylindrical polar coordinate system is adopted based on semi-implicit Taylor-Galerkin/pressure-correction scheme. Numerical solutions are obtained for non-Newtonian fluids employing power law model. Variations with power law index have been analysed, with respect to the flow structure and pressure drop.

Keywords: finite element simulation, mixing fluid, rheology, rotating flow, toothpaste

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Authors: M.kayhani, M.Nourouzi, A. Amiri Delooei

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This study presents an exact general solution for steady-state conductive heat transfer in cylindrical composite laminates. Appropriate Fourier transformation has been obtained using Sturm-Liouville theorem. Series coefficients are achieved by solving a set of equations that related to thermal boundary conditions at inner and outer of the cylinder, also related to temperature continuity and heat flux continuity between each layer. The solution of this set of equations are obtained using Thomas algorithm. In this paper, the effect of fibers- angle on temperature distribution of composite laminate is investigated under general boundary conditions. Here, we show that the temperature distribution for any composite laminates is between temperature distribution for laminates with θ = 0° and θ = 90° .

Keywords: exact solution, composite laminate, heat conduction, cylinder, Fourier transformation.

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Authors: Anurag Gaur, Nidhi, Shashi Sharma

Abstract:

Targeted drug delivery is a method of delivering medication to a patient in a manner that increases the concentration of the medication in some parts of the body relative to others. Targeted drug delivery seeks to concentrate the medication in the tissues of interest while reducing the relative concentration of the medication in the remaining tissues. This improves efficacy of the while reducing side effects. In the present work, we investigate the effect of magnetic field, flow rate and particle concentration on the capturing of magnetic particles transported in a stent implanted fluidic channel. Iron oxide magnetic nanoparticles (Fe3O4) nanoparticles were synthesized via co-precipitation method. The synthesized Fe3O4 nanoparticles were added in the de-ionized (DI) water to prepare the Fe3O4 magnetic particle suspended fluid. This fluid is transported in a cylindrical tube of diameter 8 mm with help of a peristaltic pump at different flow rate (25-40 ml/min). A ferromagnetic coil of SS 430 has been implanted inside the cylindrical tube to enhance the capturing of magnetic nanoparticles under magnetic field. The capturing of magnetic nanoparticles was observed at different magnetic magnetic field, flow rate and particle concentration. It is observed that capture efficiency increases from 47-67% at magnetic field 2-5kG, respectively at particle concentration 0.6mg/ml and at flow rate 30 ml/min. However, the capture efficiency decreases from 65 to 44% by increasing the flow rate from 25 to 40 ml/min, respectively. Furthermore, it is observed that capture efficiency increases from 51 to 67% by increasing the particle concentration from 0.3 to 0.6 mg/ml, respectively.

Keywords: Capture efficiency, Implant assisted-Magnetic drug targeting (IA-MDT), Magnetic nanoparticles, in vitro study.

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

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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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Authors: Supanyika Sengsai, Aree Thongpukdee, Chalermchai Kanchanakachen

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The study aimed to collect morphological data of secretory structures that contribute to taxonomy of Indigofera. Detail features of trichomes occurrence in vegetative and reproductive organs of Indigofera wightii Grah. ex Wigh & Arn., a species traditionally used as source of indigo to dye “Thaisongdam” clothing were investigated. Examination through light microscopy and scanning electrom microscopy were done. Non secretory, T-shaped trichomes appeared throughout surfaces of stems, leaves, flowers and fruits. Secretory or glandular trichomes occurred in two types; one has big cylindrical head and short peduncle, distributed on adaxial surface of sepals and around the pedicel, whereas another possesses smaller cylindrical head but long peduncle. The latter was found on apical surface of immature pods. No phenolic and lipophilic compounds were detected from these glands.

Keywords: Indigofera, Thailand, Thaisongdam, trichome.

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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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Authors: Zia R. Tahir, P. Mandal

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This paper presents the details of a numerical study of buckling and post buckling behaviour of laminated carbon fiber reinforced plastic (CFRP) thin-walled cylindrical shell under axial compression using asymmetric meshing technique (AMT) by ABAQUS. AMT is considered to be a new perturbation method to introduce disturbance without changing geometry, boundary conditions or loading conditions. Asymmetric meshing affects both predicted buckling load and buckling mode shapes. Cylindrical shell having lay-up orientation [0^o/+45^o/-45^o/0^o] with radius to thickness ratio (R/t) equal to 265 and length to radius ratio (L/R) equal to 1.5 is analysed numerically. A series of numerical simulations (experiments) are carried out with symmetric and asymmetric meshing to study the effect of asymmetric meshing on predicted buckling behaviour. Asymmetric meshing technique is employed in both axial direction and circumferential direction separately using two different methods, first by changing the shell element size and varying the total number elements, and second by varying the shell element size and keeping total number of elements constant. The results of linear analysis (Eigenvalue analysis) and non-linear analysis (Riks analysis) using symmetric meshing agree well with analytical results. The results of numerical analysis are presented in form of non-dimensional load factor, which is the ratio of buckling load using asymmetric meshing technique to buckling load using symmetric meshing technique. Using AMT, load factor has about 2% variation for linear eigenvalue analysis and about 2% variation for non-linear Riks analysis. The behaviour of load end-shortening curve for pre-buckling is same for both symmetric and asymmetric meshing but for asymmetric meshing curve behaviour in post-buckling becomes extraordinarily complex. The major conclusions are: different methods of AMT have small influence on predicted buckling load and significant influence on load displacement curve behaviour in post buckling; AMT in axial direction and AMT in circumferential direction have different influence on buckling load and load displacement curve in post-buckling.

Keywords: CFRP Composite Cylindrical Shell, Asymmetric Meshing Technique, Primary Buckling, Secondary Buckling, Linear Eigenvalue Analysis, Non-linear Riks Analysis.

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

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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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Authors: Santanu Santra, Utpal Roy

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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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Authors: Behrang Tavousi Tehrani, Mohammad-Zaman Kabir

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Shape memory alloys (SMA) are often implemented in smart structures as the active components. Their ability to recover large displacements has been used in many applications, including structural stability/response enhancement and active structural acoustic control. SMA wires or fibers can be embedded with composite cylinders to increase their critical buckling load, improve their load-deflection behavior, and reduce the radial deflections under various thermo-mechanical loadings. This paper presents a semi-analytical investigation on the non-linear load-deflection response of SMA-reinforced composite circular cylindrical shells. The cylinder shells are under uniform external pressure load. Based on first-order shear deformation shell theory (FSDT), the equilibrium equations of the structure are derived. One-dimensional simplified Brinson’s model is used for determining the SMA recovery force due to its simplicity and accuracy. Airy stress function and Galerkin technique are used to obtain non-linear load-deflection curves. The results are verified by comparing them with those in the literature. Several parametric studies are conducted in order to investigate the effect of SMA volume fraction, SMA pre-strain value, and SMA activation temperature on the response of the structure. It is shown that suitable usage of SMA wires results in a considerable enhancement in the load-deflection response of the shell due to the generation of the SMA tensile recovery force.

Keywords: Airy stress function, cylindrical shell, Galerkin technique, load-deflection curve, recovery stress, shape memory alloy.

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Authors: James E. Ponder

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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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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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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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Authors: Surendra K Pandey

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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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Authors: Shigeyuki Haruyama, Hiroyuki Tanaka, Dai-Heng Chen, Aidil Khaidir Bin Muhamad

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In this paper, the deformation modes of a compact impact absorption member subjected to axial compression are investigated using finite element method and experiments. A multiple combination compact impact absorption member, referred to as a 'compress-expand member', is proposed to substitute the conventional thin-walled circular tube. This study found that the proposed compact impact absorption member has stable load increase characteristics and a wider range of high load efficiency (Pave/Pmax) than the thin-walled circular tube. Moreover, the proposed compact impact absorption member can absorb larger loads in a smaller radius than the thin-walled cylindrical tube, as it can maintain its stable deformation in increased wall thicknesses.

Keywords: axial collapse, compact impact absorption member, finite element method, thin-walled cylindrical tube.

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Authors: Raoudha Chaabane, Faouzi Askri, Sassi Ben Nasrallah

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Simultaneous transient conduction and radiation heat transfer with heat generation is investigated. Analysis is carried out for both steady and unsteady situations. two-dimensional gray cylindrical enclosure with an absorbing, emitting, and isotropically scattering medium is considered. Enclosure boundaries are assumed at specified temperatures. The heat generation rate is considered uniform and constant throughout the medium. The lattice Boltzmann method (LBM) was used to solve the energy equation of a transient conduction-radiation heat transfer problem. The control volume finite element method (CVFEM) was used to compute the radiative information. To study the compatibility of the LBM for the energy equation and the CVFEM for the radiative transfer equation, transient conduction and radiation heat transfer problems in 2-D cylindrical geometries were considered. In order to establish the suitability of the LBM, the energy equation of the present problem was also solved using the the finite difference method (FDM) of the computational fluid dynamics. The CVFEM used in the radiative heat transfer was employed to compute the radiative information required for the solution of the energy equation using the LBM or the FDM (of the CFD). To study the compatibility and suitability of the LBM for the solution of energy equation and the CVFEM for the radiative information, results were analyzed for the effects of various parameters such as the boundary emissivity. The results of the LBMCVFEM combination were found to be in excellent agreement with the FDM-CVFEM combination. The number of iterations and the steady state temperature in both of the combinations were found comparable. Results are found for situations with and without heat generation. Heat generation is found to have significant bearing on temperature distribution.

Keywords: heat generation, cylindrical coordinates; RTE;transient; coupled conduction radiation; heat transfer; CVFEM; LBM

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Authors: Priyanka Malik A, Rishu Chaujar B, Mridula Gupta C, R.S. Gupta D

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In this paper, for the first time, a two-dimensional (2D) analytical drain current model for sub-100 nm multi-layered gate material engineered trapezoidal recessed channel (MLGMETRC) MOSFET: a novel design is presented and investigated using ATLAS and DEVEDIT device simulators, to mitigate the large gate leakages and increased standby power consumption that arise due to continued scaling of SiO2-based gate dielectrics. The twodimensional (2D) analytical model based on solution of Poisson-s equation in cylindrical coordinates, utilizing the cylindrical approximation, has been developed which evaluate the surface potential, electric field, drain current, switching metric: ION/IOFF ratio and transconductance for the proposed design. A good agreement between the model predictions and device simulation results is obtained, verifying the accuracy of the proposed analytical model.

Keywords: ATLAS, DEVEDIT, NJD, MLGME- TRCMOSFET.

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Authors: Nishant Rodrigues, Nicole Spanedda, Chilukuri K. Mohan, Arindam Chakraborty

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A crucial objective in quantum chemistry is the computation of the energy levels of chemical systems. This task requires electron-repulsion integrals as inputs and the steep computational cost of evaluating these integrals poses a major numerical challenge in efficient implementation of quantum chemical software. This work presents a moment-based machine learning approach for the efficient evaluation of electron-repulsion integrals. These integrals were approximated using linear combinations of a small number of moments. Machine learning algorithms were applied to estimate the coefficients in the linear combination. A random forest approach was used to identify promising features using a recursive feature elimination approach, which performed best for learning the sign of each coefficient, but not the magnitude. A neural network with two hidden layers was then used to learn the coefficient magnitudes, along with an iterative feature masking approach to perform input vector compression, identifying a small subset of orbitals whose coefficients are sufficient for the quantum state energy computation. Finally, a small ensemble of neural networks (with a median rule for decision fusion) was shown to improve results when compared to a single network.

Keywords: Quantum energy calculations, atomic orbitals, electron-repulsion integrals, ensemble machine learning, random forests, neural networks, feature extraction.

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

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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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