Search results for: generalised gradient approximation
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 1276

Search results for: generalised gradient approximation

1156 Half Metallic Antiferromagnetic of Doped TiO2 Rutile with Doubles Impurities (Os, Mo) from Ab Initio Calculations

Authors: M. Fakhim Lamrani, M. Ouchri, M. Belaiche, El Kenz, M. Loulidi, A. Benyoussef

Abstract:

Electronic and magnetic calculations based on density functional theory within the generalized gradient approximation for II-VI compound semiconductor TiO2 doped with single impurity Os and Mo; these compounds are a half metallic ferromagnet in their ground state with a total magnetic moment of 2 μB for both systems. Then, TiO2 doped with double impurities Os and Mo have been performed. As result, Ti1-2xOsxMoxO2 with x=0.065 is half-metallic antiferromagnets with 100% spin polarization of the conduction electrons crossing the Fermi level, without showing a net magnetization. Moreover, Ti14OsMoO32 compound is stable energetically than Ti1-xMoxO2 and Ti1-xOsxO2. The antiferromagnetic interaction in Ti1-2xOsxMoxO2 system is attributed to the double exchange mechanism, and the latter could also be the origin of their half metallic.

Keywords: diluted magnetic semiconductor, half-metallic antiferromagnetic, augmented spherical wave method

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1155 Comparative Study of Electronic and Optical Properties of Ammonium and Potassium Dinitramide Salts through Ab-Initio Calculations

Authors: J. Prathap Kumar, G. Vaitheeswaran

Abstract:

The present study investigates the role of ammonium and potassium ion in the electronic, bonding and optical properties of dinitramide salts due to their stability and non-toxic nature. A detailed analysis of bonding between NH₄ and K with dinitramide, optical transitions from the valence band to the conduction band, absorption spectra, refractive indices, reflectivity, loss function are reported. These materials are well known as oxidizers in solid rocket propellants. In the present work, we use full potential linear augmented plane wave (FP-LAPW) method which is implemented in the Wien2k package within the framework of density functional theory. The standard DFT functional local density approximation (LDA) and generalized gradient approximation (GGA) always underestimate the band gap by 30-40% due to the lack of derivative discontinuities of the exchange-correlation potential with respect to an occupation number. In order to get reliable results, one must use hybrid functional (HSE-PBE), GW calculations and Tran-Blaha modified Becke-Johnson (TB-mBJ) potential. It is very well known that hybrid functionals GW calculations are very expensive, the later methods are computationally cheap. The new developed TB-mBJ functionals use information kinetic energy density along with the charge density employed in DFT. The TB-mBJ functionals cannot be used for total energy calculations but instead yield very much improved band gap. The obtained electronic band gap at gamma point for both the ammonium dinitramide and potassium dinitramide are found to be 2.78 eV and 3.014 eV with GGA functional, respectively. After the inclusion of TB-mBJ, the band gap improved by 4.162 eV for potassium dinitramide and 4.378 eV for ammonium dinitramide. The nature of the band gap is direct in ADN and indirect in KDN. The optical constants such as dielectric constant, absorption, and refractive indices, birefringence values are presented. Overall as there are no experimental studies we present the improved band gap with TB-mBJ functional following with optical properties.

Keywords: ammonium dinitramide, potassium dinitramide, DFT, propellants

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1154 Comparison of Two Theories for the Critical Laser Radius in Thermal Quantum Plasma

Authors: Somaye Zare

Abstract:

The critical beam radius is a significant factor that predicts the behavior of the laser beam in the plasma, so if the laser beam radius is adequately greater in comparison to it, the beam will experience stable focusing on the plasma; otherwise, the beam will diverge after entering into the plasma. In this work, considering the paraxial approximation and moment theories, the localization of a relativistic laser beam in thermal quantum plasma is investigated. Using the dielectric function obtained in the quantum hydrodynamic model, the mathematical equation for the laser beam width parameter is attained and solved numerically by the fourth-order Runge-Kutta method. The results demonstrate that the stouter focusing effect is occurred in the moment theory compared to the paraxial approximation. Besides, similar to the two theories, with increasing Fermi temperature, plasma density, and laser intensity, the oscillation rate of the beam width parameter growths and focusing length reduces which means improving the focusing effect. Furthermore, it is understood that behaviors of the critical laser radius are different in the two theories, in the paraxial approximation, the critical radius after a minimum value is enhanced with increasing laser intensity, but in the moment theory, with increasing laser intensity, the critical radius decreases until it becomes independent of the laser intensity.

Keywords: laser localization, quantum plasma, paraxial approximation, moment theory, quantum hydrodynamic model

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1153 Nonparametric Copula Approximations

Authors: Serge Provost, Yishan Zang

Abstract:

Copulas are currently utilized in finance, reliability theory, machine learning, signal processing, geodesy, hydrology and biostatistics, among several other fields of scientific investigation. It follows from Sklar's theorem that the joint distribution function of a multidimensional random vector can be expressed in terms of its associated copula and marginals. Since marginal distributions can easily be determined by making use of a variety of techniques, we address the problem of securing the distribution of the copula. This will be done by using several approaches. For example, we will obtain bivariate least-squares approximations of the empirical copulas, modify the kernel density estimation technique and propose a criterion for selecting appropriate bandwidths, differentiate linearized empirical copulas, secure Bernstein polynomial approximations of suitable degrees, and apply a corollary to Sklar's result. Illustrative examples involving actual observations will be presented. The proposed methodologies will as well be applied to a sample generated from a known copula distribution in order to validate their effectiveness.

Keywords: copulas, Bernstein polynomial approximation, least-squares polynomial approximation, kernel density estimation, density approximation

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1152 Transformer Fault Diagnostic Predicting Model Using Support Vector Machine with Gradient Decent Optimization

Authors: R. O. Osaseri, A. R. Usiobaifo

Abstract:

The power transformer which is responsible for the voltage transformation is of great relevance in the power system and oil-immerse transformer is widely used all over the world. A prompt and proper maintenance of the transformer is of utmost importance. The dissolved gasses content in power transformer, oil is of enormous importance in detecting incipient fault of the transformer. There is a need for accurate prediction of the incipient fault in transformer oil in order to facilitate the prompt maintenance and reducing the cost and error minimization. Study on fault prediction and diagnostic has been the center of many researchers and many previous works have been reported on the use of artificial intelligence to predict incipient failure of transformer faults. In this study machine learning technique was employed by using gradient decent algorithms and Support Vector Machine (SVM) in predicting incipient fault diagnosis of transformer. The method focuses on creating a system that improves its performance on previous result and historical data. The system design approach is basically in two phases; training and testing phase. The gradient decent algorithm is trained with a training dataset while the learned algorithm is applied to a set of new data. This two dataset is used to prove the accuracy of the proposed model. In this study a transformer fault diagnostic model based on Support Vector Machine (SVM) and gradient decent algorithms has been presented with a satisfactory diagnostic capability with high percentage in predicting incipient failure of transformer faults than existing diagnostic methods.

Keywords: diagnostic model, gradient decent, machine learning, support vector machine (SVM), transformer fault

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1151 Analytical Downlink Effective SINR Evaluation in LTE Networks

Authors: Marwane Ben Hcine, Ridha Bouallegue

Abstract:

The aim of this work is to provide an original analytical framework for downlink effective SINR evaluation in LTE networks. The classical single carrier SINR performance evaluation is extended to multi-carrier systems operating over frequency selective channels. Extension is achieved by expressing the link outage probability in terms of the statistics of the effective SINR. For effective SINR computation, the exponential effective SINR mapping (EESM) method is used on this work. Closed-form expression for the link outage probability is achieved assuming a log skew normal approximation for single carrier case. Then we rely on the lognormal approximation to express the exponential effective SINR distribution as a function of the mean and standard deviation of the SINR of a generic subcarrier. Achieved formulas is easily computable and can be obtained for a user equipment (UE) located at any distance from its serving eNodeB. Simulations show that the proposed framework provides results with accuracy within 0.5 dB.

Keywords: LTE, OFDMA, effective SINR, log skew normal approximation

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1150 Stern-Gerlach Force in Quantum Magnetic Field and Schrodinger's Cat

Authors: Mandip Singh

Abstract:

Quantum entanglement plays a fundamental role in our understanding of counter-intuitive aspects of quantum reality. If classical physics is an approximation of quantum physics, then quantum entanglement should persist at a macroscopic scale. In this paper, a thought experiment is presented where a free falling spin polarized Bose-Einstein condensate interacts with a quantum superimposed magnetic field of nonzero gradient. In contrast to the semiclassical Stern-Gerlach experiment, the magnetic field and the spin degrees of freedom both are considered to be quantum mechanical in a generalized scenario. As a consequence, a Bose-Einstein condensate can be prepared at distinct locations in space in a sense of quantum superposition. In addition, the generation of Schrodinger-cat like quantum states shall be presented.

Keywords: Schrodinger-cat quantum states, macroscopic entanglement, macroscopic quantum fields, foundations of quantum physics

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1149 Removal of Mixed Heavy Metals from Contaminated Clay Soils Using Pulsed Electrokinetic Process

Authors: Nuhu Dalhat Mu’azu, Abdullahi Usman, A. Bukhari, Muhammad Hussain Essa, Salihu Lukman

Abstract:

Electrokinetic remediation process was employed for the removal of four (4) heavy metals (Cr, Cu, Hg and Pb) from contaminated clay and bentonite soils under pulsed current supply mode. The effects of voltage gradient, pulse duty cycle and bentonite/clay ratio on the simultaneous removal efficiencies of the heavy metals were investigated. A total of thirteen experiments were designed and conducted according to factorial design with each experiment allowed to continuously ran for 3 weeks. Results obtained showed that increase in bentonite ratio decreased the removal efficiency of the heavy metals with no significant effect on the energy consumption. Conversely, increase in both voltage gradient and pulse duty cycle increased the heavy metals removal efficiencies with increased in energy consumption. Additionally, increase in voltage gradient increased the electrical conductivity and the soil pH due to due to continuous refill and replacement of process fluids as they decomposed under the induced voltage gradient. Under different operating conditions, the maximum removal efficiencies obtained for Cr, Cu, Hg, and Pb were 21.87, 83.2, 62.4, 78.06 and 16.65% respectively.

Keywords: clay, bentonite, soil remediation, mixed contaminants, heavy metals, and electrokinetic-adsorption

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1148 Theory of the Optimum Signal Approximation Clarifying the Importance in the Recognition of Parallel World and Application to Secure Signal Communication with Feedback

Authors: Takuro Kida, Yuichi Kida

Abstract:

In this paper, it is shown a base of the new trend of algorithm mathematically that treats a historical reason of continuous discrimination in the world as well as its solution by introducing new concepts of parallel world that includes an invisible set of errors as its companion. With respect to a matrix operator-filter bank that the matrix operator-analysis-filter bank H and the matrix operator-sampling-filter bank S are given, firstly, we introduce the detail algorithm to derive the optimum matrix operator-synthesis-filter bank Z that minimizes all the worst-case measures of the matrix operator-error-signals E(ω) = F(ω) − Y(ω) between the matrix operator-input-signals F(ω) and the matrix operator-output-signals Y(ω) of the matrix operator-filter bank at the same time. Further, feedback is introduced to the above approximation theory, and it is indicated that introducing conversations with feedback do not superior automatically to the accumulation of existing knowledge of signal prediction. Secondly, the concept of category in the field of mathematics is applied to the above optimum signal approximation and is indicated that the category-based approximation theory is applied to the set-theoretic consideration of the recognition of humans. Based on this discussion, it is shown naturally why the narrow perception that tends to create isolation shows an apparent advantage in the short term and, often, why such narrow thinking becomes intimate with discriminatory action in a human group. Throughout these considerations, it is presented that, in order to abolish easy and intimate discriminatory behavior, it is important to create a parallel world of conception where we share the set of invisible error signals, including the words and the consciousness of both worlds.

Keywords: matrix filterbank, optimum signal approximation, category theory, simultaneous minimization

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1147 Destigmatising Generalised Anxiety Disorder: The Differential Effects of Causal Explanations on Stigma

Authors: John McDowall, Lucy Lightfoot

Abstract:

Stigma constitutes a significant barrier to the recovery and social integration of individuals affected by mental illness. Although there is some debate in the literature regarding the definition and utility of stigma as a concept, it is widely accepted that it comprises three components: stereotypical beliefs, prejudicial reactions, and discrimination. Stereotypical beliefs describe the cognitive knowledge-based component of stigma, referring to beliefs (often negative) about members of a group that is based on cultural and societal norms (e.g. ‘People with anxiety are just weak’). Prejudice refers to the affective/evaluative component of stigma and describes the endorsement of negative stereotypes and the resulting negative emotional reactions (e.g. ‘People with anxiety are just weak, and they frustrate me’). Discrimination refers to the behavioural component of stigma, which is arguably the most problematic, as it exerts a direct effect on the stigmatized person and may lead people to behave in a hostile or avoidant way towards them (i.e. refusal to hire them). Research exploring anti-stigma initiatives focus primarily on an educational approach, with the view that accurate information will replace misconceptions and decrease stigma. Many approaches take a biogenetic stance, emphasising brain and biochemical deficits - the idea being that ‘mental illness is an illness like any other.' While this approach tends to effectively reduce blame, it has also demonstrated negative effects such as increasing prognostic pessimism, the desire for social distance and perceptions of stereotypes. In the present study 144 participants were split into three groups and read one of three vignettes presenting causal explanations for Generalised Anxiety Disorder (GAD): One explanation emphasized biogenetic factors as being important in the etiology of GAD, another emphasised psychosocial factors (e.g. aversive life events, poverty, etc.), and a third stressed the adaptive features of the disorder from an evolutionary viewpoint. A variety of measures tapping the various components of stigma were administered following the vignettes. No difference in stigma measures as a function of causal explanation was found. People who had contact with mental illness in the past were significantly less stigmatising across a wide range of measures, but this did not interact with the type of causal explanation.

Keywords: generalised anxiety disorder, discrimination, prejudice, stigma

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1146 First-Principles Study of Xnmg3 (X=P, As, Sb, Bi) Antiperovskite Compounds

Authors: Kadda Amara, Mohammed Elkeurti, Mostefa Zemouli, Yassine Benallou

Abstract:

In this work, we present a study of the structural, elastic and electronic properties of the cubic antiperovskites XNMg3 (X=P, As, Sb and Bi) using the full-potential augmented plane wave plus local orbital (FP-LAPW+lo) within the Generalized Gradient Approximation based on PBEsol, Perdew 2008 functional. We determined the lattice parameters, the bulk modulus B and their pressure derivative B'. In addition, the elastic properties such as elastic constants (C11, C12 and C44), the shear modulus G, the Young modulus E, the Poisson's ratio ν and the B/G ratio are also given. For the band structure, density of states and charge density the exchange and correlation effects were treated by the Tran-Blaha modified Becke-Johnson potential to prevent the shortcoming of the underestimation of the energy gaps in both LDA and GGA approximations. The obtained results are compared to available experimental data and to other theoretical calculations.

Keywords: XNMg3 compounds, GGA-PBEsol, TB-mBJ, elastic properties, electronic properties

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1145 Half-Metallic Ferromagnetism in CdCoTe and CdMnTe: Ab-Initio Study

Authors: A.Zitouni, S.Bentata, B.Bouadjemi, T.Lantri, W. Benstaali, Z.Aziz, S.Cherid, A. Sefir

Abstract:

Using the first-principles method, we investigate the structural, electronic, and magnetic properties of the diluted magnetic semiconductors CdCoTe and CdMnTe in the zinc blende phase with 12.5% of Cr. The calculations are performed by a developed full potential augmented plane wave (FP-L/APW) method within the spin density functional theory (DFT). As exchange–correlation potential, we used the new generalized gradient approximation GGA. Structural properties are determined from the total energy calculations and we found that these compounds are stable in the ferromagnetic phase. We discuss the electronic structures, total and partial densities of states and local moments. Finally, CdCoTe and CdMnTe in the zinc-blend phase show the half-metallic ferromagnetic nature and are expected to be potential materials for spintronic devices.

Keywords: DFT, GGA, band structures, half-metallic, spintronics

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1144 A Concept for Design of Road Super-Elevation Based on Horizontal Radius, Vertical Gradient and Accident Rate

Authors: U. Chattaraj, D. Meena

Abstract:

Growth of traffic brings various negative effects, such as road accidents. To avoid such problems, a model is developed for the purpose of highway safety. In such areas, fuzzy logic is the most well-known simulation in the larger field. A model is accomplished for hilly and steep terrain based on Fuzzy Inference System (FIS), for which output is super elevation and input data is horizontal radius, vertical gradient, accident rate (AR). This result shows that the system can be efficaciously applied as for highway safety tool distinguishing hazards components correlated to the characteristics of the highway and has a great influence to the making of decision for accident precaution in transportation models. From this model, a positive relationship between geometric elements, accident rate, and super elevation is also identified.

Keywords: accident rate, fuzzy inference system, fuzzy logic, gradient, radius, super elevation

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1143 Spin-Polarized Structural, Electronic and Magnetic Properties of Intermetallic Dy2Ni2Pb from Computational Study

Authors: O. Arbouche, Y. Benallou, K. Amara

Abstract:

We report a first-principles study of structural, electronic and magnetic properties of ternary plumbides (rare earth-transition metal-Plumb) Dy2Ni2Pb crystallizes with the orthorhombic structure of the Mn2AlB2 type (space group Cmmm), were studied by means of the full-relativistic version of the full-potential augmented plane wave plus local orbital method within the frame work of spin-polarized density functional theory (SP-DFT). The electronic exchange-correlation energy is described by generalized gradient approximation (GGA). We have calculated the lattice parameters, bulk modulii and the first pressure derivatives of the bulk modulii, total densities of states and magnetic properties. The calculated total magnetic moment is found to be equal to 9.52 μB.

Keywords: spin-polarized, magnetic properties, Dy2Ni2Pb, Density functional theory

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1142 Electromagnetic Modeling of a MESFET Transistor Using the Moments Method Combined with Generalised Equivalent Circuit Method

Authors: Takoua Soltani, Imen Soltani, Taoufik Aguili

Abstract:

The communications' and radar systems' demands give rise to new developments in the domain of active integrated antennas (AIA) and arrays. The main advantages of AIA arrays are the simplicity of fabrication, low cost of manufacturing, and the combination between free space power and the scanner without a phase shifter. The integrated active antenna modeling is the coupling between the electromagnetic model and the transport model that will be affected in the high frequencies. Global modeling of active circuits is important for simulating EM coupling, interaction between active devices and the EM waves, and the effects of EM radiation on active and passive components. The current review focuses on the modeling of the active element which is a MESFET transistor immersed in a rectangular waveguide. The proposed EM analysis is based on the Method of Moments combined with the Generalised Equivalent Circuit method (MOM-GEC). The Method of Moments which is the most common and powerful software as numerical techniques have been used in resolving the electromagnetic problems. In the class of numerical techniques, MOM is the dominant technique in solving of Maxwell and Transport’s integral equations for an active integrated antenna. In this situation, the equivalent circuit is introduced to the development of an integral method formulation based on the transposition of field problems in a Generalised equivalent circuit that is simpler to treat. The method of Generalised Equivalent Circuit (MGEC) was suggested in order to represent integral equations circuits that describe the unknown electromagnetic boundary conditions. The equivalent circuit presents a true electric image of the studied structures for describing the discontinuity and its environment. The aim of our developed method is to investigate the antenna parameters such as the input impedance and the current density distribution and the electric field distribution. In this work, we propose a global EM modeling of the MESFET AsGa transistor using an integral method. We will begin by describing the modeling structure that allows defining an equivalent EM scheme translating the electromagnetic equations considered. Secondly, the projection of these equations on common-type test functions leads to a linear matrix equation where the unknown variable represents the amplitudes of the current density. Solving this equation resulted in providing the input impedance, the distribution of the current density and the electric field distribution. From electromagnetic calculations, we were able to present the convergence of input impedance for different test function number as a function of the guide mode numbers. This paper presents a pilot study to find the answer to map out the variation of the existing current evaluated by the MOM-GEC. The essential improvement of our method is reducing computing time and memory requirements in order to provide a sufficient global model of the MESFET transistor.

Keywords: active integrated antenna, current density, input impedance, MESFET transistor, MOM-GEC method

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1141 Mathematical and Numerical Analysis of a Nonlinear Cross Diffusion System

Authors: Hassan Al Salman

Abstract:

We consider a nonlinear parabolic cross diffusion model arising in applied mathematics. A fully practical piecewise linear finite element approximation of the model is studied. By using entropy-type inequalities and compactness arguments, existence of a global weak solution is proved. Providing further regularity of the solution of the model, some uniqueness results and error estimates are established. Finally, some numerical experiments are performed.

Keywords: cross diffusion model, entropy-type inequality, finite element approximation, numerical analysis

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1140 Condition for Plasma Instability and Stability Approaches

Authors: Ratna Sen

Abstract:

As due to very high temperature of Plasma it is very difficult to confine it for sufficient time so that nuclear fusion reactions to take place, As we know Plasma escapes faster than the binary collision rates. We studied the ball analogy and the ‘energy principle’ and calculated the total potential energy for the whole Plasma. If δ ⃗w is negative, that is decrease in potential energy then the plasma will be unstable. We also discussed different approaches of stability analysis such as Nyquist Method, MHD approximation and Vlasov approach of plasma stability. So that by using magnetic field configurations we can able to create a stable Plasma in Tokamak for generating energy for future generations.

Keywords: jello, magnetic field configuration, MHD approximation, energy principle

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1139 RAFU Functions in Robotics and Automation

Authors: Alicia C. Sanchez

Abstract:

This paper investigates the implementation of RAFU functions (radical functions) in robotics and automation. Specifically, the main goal is to show how these functions may be useful in lane-keeping control and the lateral control of autonomous machines, vehicles, robots or the like. From the knowledge of several points of a certain route, the RAFU functions are used to achieve the lateral control purpose and maintain the lane-keeping errors within the fixed limits. The stability that these functions provide, their ease of approaching any continuous trajectory and the control of the possible error made on the approximation may be useful in practice.

Keywords: automatic navigation control, lateral control, lane-keeping control, RAFU approximation

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1138 Temperature Dependent Interaction Energies among X (=Ru, Rh) Impurities in Pd-Rich PdX Alloys

Authors: M. Asato, C. Liu, N. Fujima, T. Hoshino, Y. Chen, T. Mohri

Abstract:

We study the temperature dependence of the interaction energies (IEs) of X (=Ru, Rh) impurities in Pd, due to the Fermi-Dirac (FD) distribution and the thermal vibration effect by the Debye-Grüneisen model. The n-body (n=2~4) IEs among X impurities in Pd, being used to calculate the internal energies in the free energies of the Pd-rich PdX alloys, are determined uniquely and successively from the lower-order to higher-order, by the full-potential Korringa-Kohn-Rostoker Green’s function method (FPKKR), combined with the generalized gradient approximation in the density functional theory. We found that the temperature dependence of IEs due to the FD distribution, being usually neglected, is very important to reproduce the X-concentration dependence of the observed solvus temperatures of the Pd-rich PdX (X=Ru, Rh) alloys.

Keywords: full-potential KKR-green’s function method, Fermi-Dirac distribution, GGA, phase diagram of Pd-rich PdX (X=Ru, Rh) alloys, thermal vibration effect

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1137 Modelling of Heating and Evaporation of Biodiesel Fuel Droplets

Authors: Mansour Al Qubeissi, Sergei S. Sazhin, Cyril Crua, Morgan R. Heikal

Abstract:

This paper presents the application of the Discrete Component Model for heating and evaporation to multi-component biodiesel fuel droplets in direct injection internal combustion engines. This model takes into account the effects of temperature gradient, recirculation and species diffusion inside droplets. A distinctive feature of the model used in the analysis is that it is based on the analytical solutions to the temperature and species diffusion equations inside the droplets. Nineteen types of biodiesel fuels are considered. It is shown that a simplistic model, based on the approximation of biodiesel fuel by a single component or ignoring the diffusion of components of biodiesel fuel, leads to noticeable errors in predicted droplet evaporation time and time evolution of droplet surface temperature and radius.

Keywords: heat/mass transfer, biodiesel, multi-component fuel, droplet

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1136 Full-Potential Investigation of the Electronic and Magnetic Properties of CdCoTe and CdMnTe Diluted Magnetic Semiconductors

Authors: A.Zitouni, S.Bentata, B.Bouadjemi, T.Lantri, W. Benstaali, Z.Aziz, S.Cherid

Abstract:

We investigate the structural, electronic and magnetic properties of the diluted magnetic semiconductors (DMSs) CdCoTe and CdMnTe in the zinc blende phase with 25% of Co and Mn. The calculations are performed by the recent ab initio full potential augmented plane waves (FP_L/APW) method within the spin polarized density-functional theory (DFT) and the generalized gradient approximation GGA. Structural properties are determined from the total energy calculations and we found that these compounds are stable in the ferromagnetic phase. We discuss the electronic structures, total and partial densities of states and total magnetic moments. The calculated densities of states presented in this study identify the half-metallic of CdCoTe and CdMnTe.

Keywords: electronic structure, half-metallic, magnetic moment, total and partial densities of states

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1135 A Proper Continuum-Based Reformulation of Current Problems in Finite Strain Plasticity

Authors: Ladislav Écsi, Roland Jančo

Abstract:

Contemporary multiplicative plasticity models assume that the body's intermediate configuration consists of an assembly of locally unloaded neighbourhoods of material particles that cannot be reassembled together to give the overall stress-free intermediate configuration since the neighbourhoods are not necessarily compatible with each other. As a result, the plastic deformation gradient, an inelastic component in the multiplicative split of the deformation gradient, cannot be integrated, and the material particle moves from the initial configuration to the intermediate configuration without a position vector and a plastic displacement field when plastic flow occurs. Such behaviour is incompatible with the continuum theory and the continuum physics of elastoplastic deformations, and the related material models can hardly be denoted as truly continuum-based. The paper presents a proper continuum-based reformulation of current problems in finite strain plasticity. It will be shown that the incompatible neighbourhoods in real material are modelled by the product of the plastic multiplier and the yield surface normal when the plastic flow is defined in the current configuration. The incompatible plastic factor can also model the neighbourhoods as the solution of the system of differential equations whose coefficient matrix is the above product when the plastic flow is defined in the intermediate configuration. The incompatible tensors replace the compatible spatial plastic velocity gradient in the former case or the compatible plastic deformation gradient in the latter case in the definition of the plastic flow rule. They act as local imperfections but have the same position vector as the compatible plastic velocity gradient or the compatible plastic deformation gradient in the definitions of the related plastic flow rules. The unstressed intermediate configuration, the unloaded configuration after the plastic flow, where the residual stresses have been removed, can always be calculated by integrating either the compatible plastic velocity gradient or the compatible plastic deformation gradient. However, the corresponding plastic displacement field becomes permanent with both elastic and plastic components. The residual strains and stresses originate from the difference between the compatible plastic/permanent displacement field gradient and the prescribed incompatible second-order tensor characterizing the plastic flow in the definition of the plastic flow rule, which becomes an assignment statement rather than an equilibrium equation. The above also means that the elastic and plastic factors in the multiplicative split of the deformation gradient are, in reality, gradients and that there is no problem with the continuum physics of elastoplastic deformations. The formulation is demonstrated in a numerical example using the regularized Mooney-Rivlin material model and modified equilibrium statements where the intermediate configuration is calculated, whose analysis results are compared with the identical material model using the current equilibrium statements. The advantages and disadvantages of each formulation, including their relationship with multiplicative plasticity, are also discussed.

Keywords: finite strain plasticity, continuum formulation, regularized Mooney-Rivlin material model, compatibility

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1134 Knowledge Management for Competitiveness and Performances in Higher Educational Institutes

Authors: Jeyarajan Sivapathasundram

Abstract:

Knowledge management has been recognised as an emerging factor for being competitive among institutions and performances in firms. As such, being recognised as knowledge rich institution, higher education institutes have to be recognised knowledge management based resources for achieving competitive advantages. Present research picked result out of postgraduate research conducted in knowledge management at non-state higher educational institutes of Sri Lanka. Besides, the present research aimed to discover knowledge management for competition and firm performances of higher educational institutes out of the result produced by the postgraduate study. Besides, the results are found in a pair that developed out of knowledge management practices and the reason behind the existence of the practices. As such, the present research has developed a filter to pick the pairs that satisfy its condition of competition and performance of the firm. As such, the pair, such as benchmarking is practised to be ethically competing through conducting courses. As the postgraduate research tested results of foreign researches in a qualitative paradigm, the finding of the present research are generalise fact for knowledge management for competitiveness and performances in higher educational institutes. Further, the presented research method used attributes which explain competition and performance in its filter to discover the pairs relevant to competition and performances. As such, the fact in regards to knowledge management for competition and performances in higher educational institutes are presented in the publication that the presentation is out of the generalised result. Therefore, knowledge management for competition and performance in higher educational institutes are generalised.

Keywords: competition in and among higher educational institutes, performances of higher educational institutes, noun based filtering, production out of generalisation of a research

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1133 Structural and Electronic Properties of Cd0.75V0.25S Alloy

Authors: H. Baltache, M. El Amine. Monir, R. Khenata, D. Rached, T. Seddik

Abstract:

The first principles calculations based on the density functional theory (DFT) by using the full-potential linearized augmented plane wave (FP-LAPW) method within the generalized gradient approximation (GGA) in order to investigate the structural and electronic properties of Cd1-xVxS alloy at x = 0.25 in zincblende structure. For the structural properties, we have calculated the equilibrium lattice parameters, such as lattice constant, bulk modulus and first pressure derivatives of the bulk modulus. From the electronic structure, we obtain that Cd0.75V0.25S alloy is nearly half-metallic. The analysis of the density of states (DOS) curves allow to evaluate the spin-exchange splitting energies Δx(d) and Δx(pd) that are generated by V-3d states, where the effective potential for spin-down case is attractive than for spin-up case. Calculations of the exchange constants N0α (valence band) and N0β (conduction band) are served to describe the magnetic behavior of the compounds.

Keywords: first-principles calculations, structural properties, electronic properties

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1132 An Improved Prediction Model of Ozone Concentration Time Series Based on Chaotic Approach

Authors: Nor Zila Abd Hamid, Mohd Salmi M. Noorani

Abstract:

This study is focused on the development of prediction models of the Ozone concentration time series. Prediction model is built based on chaotic approach. Firstly, the chaotic nature of the time series is detected by means of phase space plot and the Cao method. Then, the prediction model is built and the local linear approximation method is used for the forecasting purposes. Traditional prediction of autoregressive linear model is also built. Moreover, an improvement in local linear approximation method is also performed. Prediction models are applied to the hourly ozone time series observed at the benchmark station in Malaysia. Comparison of all models through the calculation of mean absolute error, root mean squared error and correlation coefficient shows that the one with improved prediction method is the best. Thus, chaotic approach is a good approach to be used to develop a prediction model for the Ozone concentration time series.

Keywords: chaotic approach, phase space, Cao method, local linear approximation method

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1131 Physical Properties of Uranium Dinitride UN2 by Using Density Functional Theory (DFT and DFT+U)

Authors: T. Zergoug, S. E. H. Abaidia, A. Nedjar, M. Y. Mokeddem

Abstract:

Physical properties of uranium di-nitride (UN2) were investigated in detail using first principles calculations based on density functional theory. To treat the strong correlation effects caused by 5f Uranium valence electrons, on-site Coulomb interaction correction via the Hubbard-like term, U (DFT+U) was employed. The UN2 structural, mechanical and thermodynamic properties were calculated within DFT and Various U of DFT+U approach. The Perdew–Burke–Ernzerhof (PBE.5.2) version of the generalized gradient approximation (GGA) is used to describe the exchange-correlation with the projector-augmented wave (PAW) pseudo potentials. A comparative study shows that results are improved by using the Hubbard formalism for a certain U value correction like the structural parameter. For some physical properties the variation versus Hubbard U is strong like Young modulus but for others it is weakly noticeable such as the density of state (DOS) or bulk modulus. We noticed also that up from U=7.5 eV, elastic results become not conform to the cubic cell elastic criteria since the C44 values turn out to be negative.

Keywords: uranium diNitride, UN2, DFT+U, elastic properties

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1130 Scaling Analysis for the Liquefaction Phenomena Generated by Water Waves

Authors: E. Arcos, E. Bautista, F. Méndez

Abstract:

In this work, a scaling analysis of the liquefaction phenomena is presented. The characteristic scales are obtained by balancing term by term of the well-known partial dynamics governing equations, (U − P). From the above, the order of magnitude of the horizontal displacement is very smaller compared with the vertical displacement and therefore the governing equation is only a function of the dependent vertical variables. The U − P approximation is reduced and presented in its dimensionless version. This scaling analysis can be used to obtain analytical solutions of the liquefaction phenomena under the action of the water waves.

Keywords: approximation U-P, porous seabed, scaling analysis, water waves

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1129 An Object-Based Image Resizing Approach

Authors: Chin-Chen Chang, I-Ta Lee, Tsung-Ta Ke, Wen-Kai Tai

Abstract:

Common methods for resizing image size include scaling and cropping. However, these two approaches have some quality problems for reduced images. In this paper, we propose an image resizing algorithm by separating the main objects and the background. First, we extract two feature maps, namely, an enhanced visual saliency map and an improved gradient map from an input image. After that, we integrate these two feature maps to an importance map. Finally, we generate the target image using the importance map. The proposed approach can obtain desired results for a wide range of images.

Keywords: energy map, visual saliency, gradient map, seam carving

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1128 Atomistic Study of Structural and Phases Transition of TmAs Semiconductor, Using the FPLMTO Method

Authors: Rekab Djabri Hamza, Daoud Salah

Abstract:

We report first-principles calculations of structural and magnetic properties of TmAs compound in zinc blende(B3) and CsCl(B2), structures employing the density functional theory (DFT) within the local density approximation (LDA). We use the full potential linear muffin-tin orbitals (FP-LMTO) as implemented in the LMTART-MINDLAB code (Calculation). Results are given for lattice parameters (a), bulk modulus (B), and its first derivatives(B’) in the different structures NaCl (B1) and CsCl (B2). The most important result in this work is the prediction of the possibility of transition; from cubic rocksalt (NaCl)→ CsCl (B2) (32.96GPa) for TmAs. These results use the LDA approximation.

Keywords: LDA, phase transition, properties, DFT

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1127 Anonymous Editing Prevention Technique Using Gradient Method for High-Quality Video

Authors: Jiwon Lee, Chanho Jung, Si-Hwan Jang, Kyung-Ill Kim, Sanghyun Joo, Wook-Ho Son

Abstract:

Since the advances in digital imaging technologies have led to development of high quality digital devices, there are a lot of illegal copies of copyrighted video content on the internet. Thus, we propose a high-quality (HQ) video watermarking scheme that can prevent these illegal copies from spreading out. The proposed scheme is applied spatial and temporal gradient methods to improve the fidelity and detection performance. Also, the scheme duplicates the watermark signal temporally to alleviate the signal reduction caused by geometric and signal-processing distortions. Experimental results show that the proposed scheme achieves better performance than previously proposed schemes and it has high fidelity. The proposed scheme can be used in broadcast monitoring or traitor tracking applications which need fast detection process to prevent illegally recorded video content from spreading out.

Keywords: editing prevention technique, gradient method, luminance change, video watermarking

Procedia PDF Downloads 456