Search results for: computation physics.

Authors: Mustafa Elfituri, Jonathan Cook

Abstract:

Recently, graph-based computations have become more important in large-scale scientific computing as they can provide a methodology to model many types of relations between independent objects. They are being actively used in fields as varied as biology, social networks, cybersecurity, and computer networks. At the same time, graph problems have some properties such as irregularity and poor locality that make their performance different than regular applications performance. Therefore, parallelizing graph algorithms is a hard and challenging task. Initial evidence is that standard computer architectures do not perform very well on graph algorithms. Little is known exactly what causes this. The Graph500 benchmark is a representative application for parallel graph-based computations, which have highly irregular data access and are driven more by traversing connected data than by computation. In this paper, we present results from analyzing the performance of various example implementations of Graph500, including a shared memory (OpenMP) version, a distributed (MPI) version, and a hybrid version. We measured and analyzed all the factors that affect its performance in order to identify possible changes that would improve its performance. Results are discussed in relation to what factors contribute to performance degradation.

Keywords: Graph computation, Graph500 benchmark, parallel architectures, parallel programming, workload characterization.

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Authors: Aouattou Nabila, Saighi Mohamed, Fekih Malika

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The modeling of water transfer in the unsaturated zone uses techniques and methods of the soil physics to solve the Richards-s equation. However, there is a disaccord between the size of the measurements provided by the soil physics and the size of the fields of hydrological modeling problem, to which is added the strong spatial variability of soil hydraulic properties. The objective of this work was to develop a methodology to estimate the hydrodynamic parameters for modeling water transfers at different hydrological scales in the soil-plant atmosphere systems.

Keywords: Hydraulic properties, Modeling, Unsaturated zone, Transfer, Water

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Authors: S. Sowmyayani, P. Arockia Jansi Rani

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This paper integrates Octagon and Square Search pattern (OCTSS) motion estimation algorithm into H.264/AVC (Advanced Video Coding) video codec in Adaptive Group of Pictures (AGOP) mode. AGOP structure is computed based on scene change in the video sequence. Octagon and square search pattern block-based motion estimation method is implemented in inter-prediction process of H.264/AVC. Both these methods reduce bit rate and computational complexity while maintaining the quality of the video sequence respectively. Experiments are conducted for different types of video sequence. The results substantially proved that the bit rate, computation time and PSNR gain achieved by the proposed method is better than the existing H.264/AVC with fixed GOP and AGOP. With a marginal gain in quality of 0.28dB and average gain in bitrate of 132.87kbps, the proposed method reduces the average computation time by 27.31 minutes when compared to the existing state-of-art H.264/AVC video codec.

Keywords: Block Distortion Measure, Block Matching Algorithms, H.264/AVC, Motion estimation, Search patterns, Shot cut detection.

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Authors: Ioan Rusu

Abstract:

Let us consider that the entire universe is composed of a single hydrogen atom within which the electron is moving around the proton. In this case, according to classical theories of physics, radiation, photons respectively, should be absorbed by the electron. Depending on the number of photons absorbed, the electron radius of rotation around the proton is established. Until now, the principle of photons absorption by electrons and the electron transition to a new energy level, namely to a higher radius of rotation around the proton, is not clarified in physics. This paper aims to demonstrate that radiation, photons respectively, have mass and negative electrostatic charge similar to electrons but infinitely smaller. The experiments which demonstrate this theory are simple: thermal expansion, photoelectric effect and thermonuclear reaction.

Keywords: Electrostatic, electron, proton, photon, radiation.

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Authors: Tang Wei, Yang Xiaofeng, Gui Yewei, Du Yanxia

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Complex lifting entry was selected for precise landing performance during the Mars Science Laboratory entry. This study aims to develop the three-dimensional numerical method for precise computation and the surface panel method for rapid engineering prediction. Detailed flow field analysis for Mars exploration mission was performed by carrying on a series of fully three-dimensional Navier-Stokes computations. The static aerodynamic performance was then discussed, including the surface pressure, lift and drag coefficient, lift-to-drag ratio with the numerical and engineering method. Computation results shown that the shock layer is thin because of lower effective specific heat ratio, and that calculated results from both methods agree well with each other, and is consistent with the reference data. Aerodynamic performance analysis shows that CG location determines trim characteristics and pitch stability, and certain radially and axially shift of the CG location can alter the capsule lifting entry performance, which is of vital significance for the aerodynamic configuration design and inner instrument layout of the Mars entry capsule.

Keywords: Mars entry capsule, static aerodynamics, computational fluid dynamics, hypersonic.

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Authors: A. Amar, O. Hemeda

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A study of the structure of the nucleus with the analogy by solid-state physics has been developed. We have used binding energy to calculate R (a parameter that is proportional to the radius of the nucleus) for deuteron, alpha, and ⁸Be. The calculated parameter r calculated from solid state physics produces a probe for calculation the nuclear radii. ⁸Be has special attention as it is radioactive nucleus and the latest nucleus to be calculated from crystalline model approach. The distribution of nucleons inside the nucleus is taken to be tetrahedral for ¹⁶O. The model has failed to expect the radius of ⁹Be which is an impression about the modification should be done on the model at near future. A comparison between our calculations and those from literature has been made, and a good agreement has been obtained.

Keywords: The structure of the nucleus, binding energy, crystalline model approach, nuclear radii, tetrahedral for 16O.

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Authors: Chih-Hao Chen, Hsing-Chung Lee, Qingdong Ling, Hsiao-Jung Chen, Sun-Chong Wang, Li-Ching Wu, H.C. Lee

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Segmentation, filtering out of measurement errors and identification of breakpoints are integral parts of any analysis of microarray data for the detection of copy number variation (CNV). Existing algorithms designed for these tasks have had some successes in the past, but they tend to be O(N2) in either computation time or memory requirement, or both, and the rapid advance of microarray resolution has practically rendered such algorithms useless. Here we propose an algorithm, SAD, that is much faster and much less thirsty for memory – O(N) in both computation time and memory requirement -- and offers higher accuracy. The two key ingredients of SAD are the fundamental assumption in statistics that measurement errors are normally distributed and the mathematical relation that the product of two Gaussians is another Gaussian (function). We have produced a computer program for analyzing CNV based on SAD. In addition to being fast and small it offers two important features: quantitative statistics for predictions and, with only two user-decided parameters, ease of use. Its speed shows little dependence on genomic profile. Running on an average modern computer, it completes CNV analyses for a 262 thousand-probe array in ~1 second and a 1.8 million-probe array in 9 seconds

Keywords: Cancer, pathogenesis, chromosomal aberration, copy number variation, segmentation analysis.

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Authors: Mohammed Golam Sarwer, Lai Man Po, Kai Guo, Q.M. Jonathan Wu

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In H.264/AVC video encoding, rate-distortion optimization for mode selection plays a significant role to achieve outstanding performance in compression efficiency and video quality. However, this mode selection process also makes the encoding process extremely complex, especially in the computation of the ratedistortion cost function, which includes the computations of the sum of squared difference (SSD) between the original and reconstructed image blocks and context-based entropy coding of the block. In this paper, a transform-domain rate-distortion optimization accelerator based on fast SSD (FSSD) and VLC-based rate estimation algorithm is proposed. This algorithm could significantly simplify the hardware architecture for the rate-distortion cost computation with only ignorable performance degradation. An efficient hardware structure for implementing the proposed transform-domain rate-distortion optimization accelerator is also proposed. Simulation results demonstrated that the proposed algorithm reduces about 47% of total encoding time with negligible degradation of coding performance. The proposed method can be easily applied to many mobile video application areas such as a digital camera and a DMB (Digital Multimedia Broadcasting) phone.

Keywords: Context-adaptive variable length coding (CAVLC), H.264/AVC, rate-distortion optimization (RDO), sum of squareddifference (SSD).

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Authors: Ali Ridho Barakbah, Yasushi Kiyoki

Abstract:

This paper presents a new approach for image segmentation by applying Pillar-Kmeans algorithm. This segmentation process includes a new mechanism for clustering the elements of high-resolution images in order to improve precision and reduce computation time. The system applies K-means clustering to the image segmentation after optimized by Pillar Algorithm. The Pillar algorithm considers the pillars- placement which should be located as far as possible from each other to withstand against the pressure distribution of a roof, as identical to the number of centroids amongst the data distribution. This algorithm is able to optimize the K-means clustering for image segmentation in aspects of precision and computation time. It designates the initial centroids- positions by calculating the accumulated distance metric between each data point and all previous centroids, and then selects data points which have the maximum distance as new initial centroids. This algorithm distributes all initial centroids according to the maximum accumulated distance metric. This paper evaluates the proposed approach for image segmentation by comparing with K-means and Gaussian Mixture Model algorithm and involving RGB, HSV, HSL and CIELAB color spaces. The experimental results clarify the effectiveness of our approach to improve the segmentation quality in aspects of precision and computational time.

Keywords: Image segmentation, K-means clustering, Pillaralgorithm, color spaces.

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Authors: Hans H. Diel

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In this paper a functional interpretation of quantum theory (QT) with emphasis on quantum field theory (QFT) is proposed. Besides the usual statements on relations between a functions initial state and final state, a functional interpretation also contains a description of the dynamic evolution of the function. That is, it describes how things function. The proposed functional interpretation of QT/QFT has been developed in the context of the author-s work towards a computer model of QT with the goal of supporting the largest possible scope of QT concepts. In the course of this work, the author encountered a number of problems inherent in the translation of quantum physics into a computer program. He came to the conclusion that the goal of supporting the major QT concepts can only be satisfied, if the present model of QT is supplemented by a "functional interpretation" of QT/QFT. The paper describes a proposal for that

Keywords: Computability, Foundation of Quantum Mechanics, Measurement Problem, Models of Physics.

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Authors: Mahdad M’hamed, Belaidi Idir

Abstract:

This paper develops a meshless approach, called Element Free Galerkin (EFG) method, which is based on the weak form Moving Least Squares (MLS) of the partial differential governing equations and employs the interpolation to construct the meshless shape functions. The variation weak form is used in the EFG where the trial and test functions are approximated bye the MLS approximation. Since the shape functions constructed by this discretization have the weight function property based on the randomly distributed points, the essential boundary conditions can be implemented easily. The local weak form of the partial differential governing equations is obtained by the weighted residual method within the simple local quadrature domain. The spline function with high continuity is used as the weight function. The presently developed EFG method is a truly meshless method, as it does not require the mesh, either for the construction of the shape functions, or for the integration of the local weak form. Several numerical examples of two-dimensional static structural analysis are presented to illustrate the performance of the present EFG method. They show that the EFG method is highly efficient for the implementation and highly accurate for the computation. The present method is used to analyze the static deflection of beams and plate hole

Keywords: Numerical computation, element-free Galerkin, moving least squares, meshless methods.

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Authors: A. Chowdhury, P. Egodawatta, J. M. McGree, A. Goonetilleke

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Hydrologic models are increasingly used as tools to predict stormwater quantity and quality from urban catchments. However, due to a range of practical issues, most models produce gross errors in simulating complex hydraulic and hydrologic systems. Difficulty in finding a robust approach for model calibration is one of the main issues. Though automatic calibration techniques are available, they are rarely used in common commercial hydraulic and hydrologic modelling software e.g. MIKE URBAN. This is partly due to the need for a large number of parameters and large datasets in the calibration process. To overcome this practical issue, a framework for automatic calibration of a hydrologic model was developed in R platform and presented in this paper. The model was developed based on the time-area conceptualization. Four calibration parameters, including initial loss, reduction factor, time of concentration and time-lag were considered as the primary set of parameters. Using these parameters, automatic calibration was performed using Approximate Bayesian Computation (ABC). ABC is a simulation-based technique for performing Bayesian inference when the likelihood is intractable or computationally expensive to compute. To test the performance and usefulness, the technique was used to simulate three small catchments in Gold Coast. For comparison, simulation outcomes from the same three catchments using commercial modelling software, MIKE URBAN were used. The graphical comparison shows strong agreement of MIKE URBAN result within the upper and lower 95% credible intervals of posterior predictions as obtained via ABC. Statistical validation for posterior predictions of runoff result using coefficient of determination (CD), root mean square error (RMSE) and maximum error (ME) was found reasonable for three study catchments. The main benefit of using ABC over MIKE URBAN is that ABC provides a posterior distribution for runoff flow prediction, and therefore associated uncertainty in predictions can be obtained. In contrast, MIKE URBAN just provides a point estimate. Based on the results of the analysis, it appears as though ABC the developed framework performs well for automatic calibration.

Keywords: Automatic calibration framework, approximate Bayesian computation, hydrologic and hydraulic modelling, MIKE URBAN software, R platform.

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Authors: Abdulbaset Saad, Adel Younis, Zuomin Dong

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For design optimization with high-dimensional expensive problems, an effective and efficient optimization methodology is desired. This work proposes a series of modification to the Differential Evolution (DE) algorithm for solving computation Intensive Black-Box Problems. The proposed methodology is called Radial Basis Meta-Model Algorithm Assisted Differential Evolutionary (RBF-DE), which is a global optimization algorithm based on the meta-modeling techniques. A meta-modeling assisted DE is proposed to solve computationally expensive optimization problems. The Radial Basis Function (RBF) model is used as a surrogate model to approximate the expensive objective function, while DE employs a mechanism to dynamically select the best performing combination of parameters such as differential rate, cross over probability, and population size. The proposed algorithm is tested on benchmark functions and real life practical applications and problems. The test results demonstrate that the proposed algorithm is promising and performs well compared to other optimization algorithms. The proposed algorithm is capable of converging to acceptable and good solutions in terms of accuracy, number of evaluations, and time needed to converge.

Keywords: Differential evolution, engineering design, expensive computations, meta-modeling, radial basis function, optimization.

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Authors: Chiharu Okuma, Jun Murakami, Naoki Yamamoto

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In digital signal processing it is important to approximate multi-dimensional data by the method called rank reduction, in which we reduce the rank of multi-dimensional data from higher to lower. For 2-dimennsional data, singular value decomposition (SVD) is one of the most known rank reduction techniques. Additional, outer product expansion expanded from SVD was proposed and implemented for multi-dimensional data, which has been widely applied to image processing and pattern recognition. However, the multi-dimensional outer product expansion has behavior of great computation complex and has not orthogonally between the expansion terms. Therefore we have proposed an alterative method, Third-order Orthogonal Tensor Product Expansion short for 3-OTPE. 3-OTPE uses the power method instead of nonlinear optimization method for decreasing at computing time. At the same time the group of B. D. Lathauwer proposed Higher-Order SVD (HOSVD) that is also developed with SVD extensions for multi-dimensional data. 3-OTPE and HOSVD are similarly on the rank reduction of multi-dimensional data. Using these two methods we can obtain computation results respectively, some ones are the same while some ones are slight different. In this paper, we compare 3-OTPE to HOSVD in accuracy of calculation and computing time of resolution, and clarify the difference between these two methods.

Keywords: Singular value decomposition (SVD), higher-order SVD (HOSVD), higher-order tensor, outer product expansion, power method.

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Authors: Rafal Michalski, Jakub Zygadlo

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We present the concept and scientific methods and algorithms of our computation system called ATOMIC MATTERS. This is the first presentation of the new computer package, that allows its user to describe physical properties of atomic localized electron systems subject to electromagnetic interactions. Our solution applies to situations where an unclosed electron 2p/3p/3d/4d/5d/4f/5f subshell interacts with an electrostatic potential of definable symmetry and external magnetic field. Our methods are based on Crystal Electric Field (CEF) approach, which takes into consideration the electrostatic ligands field as well as the magnetic Zeeman effect. The application allowed us to predict macroscopic properties of materials such as: Magnetic, spectral and calorimetric as a result of physical properties of their fine electronic structure. We emphasize the importance of symmetry of charge surroundings of atom/ion, spin-orbit interactions (spin-orbit coupling) and the use of complex number matrices in the definition of the Hamiltonian. Calculation methods, algorithms and convention recalculation tools collected in ATOMIC MATTERS were chosen to permit the prediction of magnetic and spectral properties of materials in isostructural series.

Keywords: Atomic matters, crystal electric field, spin-orbit coupling, localized states, electron subshell, fine electronic structure.

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Authors: Ya Lv

Abstract:

This article presents the application of the semi-analytic method (SAM) in the thermal management solution (TMS) of the energy storage system (ESS). The TMS studied in this work is fluid cooling. In fluid cooling, both effective heat conduction and heat convection are indispensable due to the heat transfer from solid to fluid. Correspondingly, an efficient TMS requires a design investigation of the following parameters: fluid inlet temperature, ESS initial temperature, fluid flow rate, working c rate, continuous working time, and materials properties. Their variation induces a change of thermal performance in the battery module, which is usually evaluated by numerical simulation. Compared to complicated computation resources and long computation time in simulation, the SAM is developed in this article to predict the thermal influence within a few seconds. In SAM, a fast prediction model is reckoned by combining numerical simulation with theoretical/empirical equations. The SAM can explore the thermal effect of boundary parameters in both steady-state and transient heat transfer scenarios within a short time. Therefore, the SAM developed in this work can simplify the design cycle of TMS and inspire more possibilities in TMS design.

Keywords: Semi-analytic method, fast prediction model, thermal influence of boundary parameters, energy storage system.

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Authors: Fabrizio Logiurato

Abstract:

Light Polarization has many technological applications, and its discovery was crucial to reveal the transverse nature of the electromagnetic waves. However, despite its fundamental and practical importance, in high school, this property of light is often neglected. This is a pity not only for its conceptual relevance, but also because polarization gives the possibility to perform many brilliant experiments with low cost materials. Moreover, the treatment of this matter lends very well to an interdisciplinary approach between art, biology and technology, which usually makes things more interesting to students. For these reasons, we have developed, and in this work, we introduce a laboratory on light polarization for high school and undergraduate students. They can see beautiful pictures when birefringent materials are set between two crossed polarizing filters. Pupils are very fascinated and drawn into by what they observe. The colourful images remind them of those ones of abstract painting or alien landscapes. With this multidisciplinary teaching method, students are more engaged and participative, and also, the learning process of the respective physics concepts is more effective.

Keywords: Light polarization, optical activity, multidisciplinary education, science and art.

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Authors: J. Hey, D. A. Howey, R. Martinez-Botas, M. Lamperth

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This paper presents the development of a hybrid thermal model for the EVO Electric AFM 140 Axial Flux Permanent Magnet (AFPM) machine as used in hybrid and electric vehicles. The adopted approach is based on a hybrid lumped parameter and finite difference method. The proposed method divides each motor component into regular elements which are connected together in a thermal resistance network representing all the physical connections in all three dimensions. The element shape and size are chosen according to the component geometry to ensure consistency. The fluid domain is lumped into one region with averaged heat transfer parameters connecting it to the solid domain. Some model parameters are obtained from Computation Fluid Dynamic (CFD) simulation and empirical data. The hybrid thermal model is described by a set of coupled linear first order differential equations which is discretised and solved iteratively to obtain the temperature profile. The computation involved is low and thus the model is suitable for transient temperature predictions. The maximum error in temperature prediction is 3.4% and the mean error is consistently lower than the mean error due to uncertainty in measurements. The details of the model development, temperature predictions and suggestions for design improvements are presented in this paper.

Keywords: Electric vehicle, hybrid thermal model, transient temperature prediction, Axial Flux Permanent Magnet machine.

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Authors: Wei Zhang, Xin Zhao, Yi-Fan Zhu, Xin-Jian Zhang

Abstract:

Kernel function, which allows the formulation of nonlinear variants of any algorithm that can be cast in terms of dot products, makes the Support Vector Machines (SVM) have been successfully applied in many fields, e.g. classification and regression. The importance of kernel has motivated many studies on its composition. It-s well-known that reproducing kernel (R.K) is a useful kernel function which possesses many properties, e.g. positive definiteness, reproducing property and composing complex R.K by simple operation. There are two popular ways to compute the R.K with explicit form. One is to construct and solve a specific differential equation with boundary value whose handicap is incapable of obtaining a unified form of R.K. The other is using a piecewise integral of the Green function associated with a differential operator L. The latter benefits the computation of a R.K with a unified explicit form and theoretical analysis, whereas there are relatively later studies and fewer practical computations. In this paper, a new algorithm for computing a R.K is presented. It can obtain the unified explicit form of R.K in general reproducing kernel Hilbert space. It avoids constructing and solving the complex differential equations manually and benefits an automatic, flexible and rigorous computation for more general RKHS. In order to validate that the R.K computed by the algorithm can be used in SVM well, some illustrative examples and a comparison between R.K and Gaussian kernel (RBF) in support vector regression are presented. The result shows that the performance of R.K is close or slightly superior to that of RBF.

Keywords: admissible support vector kernel, reproducing kernel, reproducing kernel Hilbert space, Green function, support vectorregression

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Authors: Ehsan Mahdavi

Abstract:

In this paper, we apply the Exp-function method to Rosenau-Kawahara and Rosenau-KdV equations. Rosenau-Kawahara equation is the combination of the Rosenau and standard Kawahara equations and Rosenau-KdV equation is the combination of the Rosenau and standard KdV equations. These equations are nonlinear partial differential equations (NPDE) which play an important role in mathematical physics. Exp-function method is easy, succinct and powerful to implement to nonlinear partial differential equations arising in mathematical physics. We mainly try to present an application of Exp-function method and offer solutions for common errors wich occur during some of the recent works.

Keywords: Exp-function method, Rosenau Kawahara equation, Rosenau Korteweg-de Vries equation, nonlinear partial differential equation.

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Authors: Yanhui Jia, Ning Guo, Juan Li, Yunkui Sun, Wei Yang, Tianping Zhang, Lin Ma, Wei Meng, Hai Geng

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The current statuses of lifetime test of LaB6 hollow cathode at the Lanzhou Institute of Physics (LIP), China, was described. 5A LaB6 hollow cathode was design for LIPS-200 40mN Xenon ion thruster, and it could be used for LHT-100 80 mN Hall thruster, too. Life test of the discharge and neutralizer modes of LHC-5 hollow cathode were stared in October 2011, and cumulative operation time reached 17,300 and 16,100 hours in April 2015, respectively. The life of cathode was designed more than 11,000 hours. Parameters of discharge and key structure dimensions were monitored in different stage of life test indicated that cathodes were health enough. The test will continue until the cathode cannot work or operation parameter is not in normally. The result of the endurance test of cathode demonstrated that the LaB6 hollow cathode is satisfied for the required of thruster in life and performance.

Keywords: LaB6, hollow cathode, thruster, lifetime test, electric propulsion.

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Authors: I. V. Kuzminov

Abstract:

The proposed article is an analytical review of previously published articles in the series "Physics of Gravity", "The Picture of the World by Second Law of Thermodynamics" and others. The article shows the key role of the forces of gravity and the action of the second law of thermodynamics in shaping the picture of the world. In other words, the second law of thermodynamics can be called the law of matter cooling. The action in the compartment of the inverse temperature dependence of the forces of gravity and the second law of thermodynamics is carried out by the processes of separation, condensation, phase transitions, and transformation of matter. On the basis of the proposed concept, along the way, completely new versions of the development of events in the biography of the Earth are put forward. For example, new versions of the origin of planets, the origin of continents and others are being put forward. This article contains a list of articles and videos that are somehow related to the proposed topic. Articles and videos are presented in English and Russian.

Keywords: Gravity, the second law of thermodynamics, electron rotation, inverse temperature dependence, inertia forces, centrifugal forces.

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Authors: M. Santhalakshmi, P Suganthi

Abstract:

Wireless Sensor Networks (WSNs) have many advantages. Their deployment is easier and faster than wired sensor networks or other wireless networks, as they do not need fixed infrastructure. Nodes are partitioned into many small groups named clusters to aggregate data through network organization. WSN clustering guarantees performance achievement of sensor nodes. Sensor nodes energy consumption is reduced by eliminating redundant energy use and balancing energy sensor nodes use over a network. The aim of such clustering protocols is to prolong network life. Low Energy Adaptive Clustering Hierarchy (LEACH) is a popular protocol in WSN. LEACH is a clustering protocol in which the random rotations of local cluster heads are utilized in order to distribute energy load among all sensor nodes in the network. This paper proposes Connected Dominant Set (CDS) based cluster formation. CDS aggregates data in a promising approach for reducing routing overhead since messages are transmitted only within virtual backbone by means of CDS and also data aggregating lowers the ratio of responding hosts to the hosts existing in virtual backbones. CDS tries to increase networks lifetime considering such parameters as sensors lifetime, remaining and consumption energies in order to have an almost optimal data aggregation within networks. Experimental results proved CDS outperformed LEACH regarding number of cluster formations, average packet loss rate, average end to end delay, life computation, and remaining energy computation.

Keywords: Wireless sensor network, connected dominant set, clustering, data aggregation.

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

Abstract:

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: Tai Yuan Yu, Pei-Jen Wang

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A simulation scheme of rotational motions for predictions of bump-type gas foil bearings operating at steady-state is proposed. The scheme is based on multi-physics coupling computer aided engineering packages modularized with computational fluid dynamic model and structure elasticity model to numerically solve the dynamic equation of motions of a hydrodynamic loaded shaft supported by an elastic bump foil. The bump foil is assumed to be modelled as infinite number of Hookean springs mounted on stiff wall. Hence, the top foil stiffness is constant on the periphery of the bearing housing. The hydrodynamic pressure generated by the air film lubrication transfers to the top foil and induces elastic deformation needed to be solved by a finite element method program, whereas the pressure profile applied on the top foil must be solved by a finite element method program based on Reynolds Equation in lubrication theory. As a result, the equation of motions for the bearing shaft are iteratively solved via coupling of the two finite element method programs simultaneously. In conclusion, the two-dimensional center trajectory of the shaft plus the deformation map on top foil at constant rotational speed are calculated for comparisons with the experimental results.

Keywords: Computational fluid dynamics, fluid structure interaction multi-physics simulations, gas foil bearing, load capacity.

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Authors: Manuel Ceballos, Juan Nunez, Angel F. Tenorio

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The set of all abelian subalgebras is computationally obtained for any given finite-dimensional Lie algebra, starting from the nonzero brackets in its law. More concretely, an algorithm is described and implemented to compute a basis for each nontrivial abelian subalgebra with the help of the symbolic computation package MAPLE. Finally, it is also shown a brief computational study for this implementation, considering both the computing time and the used memory.

Keywords: Solvable Lie algebra, maximal abelian dimension, algorithm.

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Authors: Sajjad Rahmany, Abdolali Basiri

Abstract:

The link between Gröbner basis and linear algebra was described by Lazard [4,5] where he realized the Gr┬¿obner basis computation could be archived by applying Gaussian elimination over Macaulay-s matrix . In this paper, we indicate how same technique may be used to SAGBI- Gröbner basis computations in invariant rings.

Keywords: Gröbner basis, SAGBI- Gröbner basis, reduction, Invariant ring, permutation groups.

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Authors: V.K.Ananthashayana, Geetha.K.S

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In this paper, a recursive algorithm for the computation of 2-D DCT using Ramanujan Numbers is proposed. With this algorithm, the floating-point multiplication is completely eliminated and hence the multiplierless algorithm can be implemented using shifts and additions only. The orthogonality of the recursive kernel is well maintained through matrix factorization to reduce the computational complexity. The inherent parallel structure yields simpler programming and hardware implementation and provides log 1 2 3 2 N N-N+ additions and N N 2 log 2 shifts which is very much less complex when compared to other recent multiplierless algorithms.

Keywords: DCT, Multilplerless, Ramanujan Number, Recursive.

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Authors: Monika Neda, Elena Nikonova

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We present a numerical study of the sensitivity of the so called time relaxation family of models of fluid motion with respect to the time relaxation parameter χ on the two dimensional cavity problem. The goal of the study is to compute and compare the sensitivity of the model using finite difference method (FFD) and sensitivity equation method (SEM).

Keywords: Sensitivity, time relaxation, deconvolution, Navier- Stokes equations.

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Authors: Er. Satwinder Singh, Dr. K.S. Kahlon, Rakesh Kumar, Er. Gurjeet Singh

Abstract:

The most reliable and accurate description of the actual behavior of a software system is its source code. However, not all questions about the system can be answered directly by resorting to this repository of information. What the reverse engineering methodology aims at is the extraction of abstract, goal-oriented “views" of the system, able to summarize relevant properties of the computation performed by the program. While concentrating on reverse engineering we had modeled the C++ files by designing the translator.

Keywords: Translator, Modeling, UML, DYNO, ISVis, TED.

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