Search results for: numerical calculations

Authors: N. Khelloul, N. Benhalima, A. Chouaih, F. Hamzaoui

Abstract:

The monomer and dimer structures of the title molecule have been obtained from density functional theory (DFT) B3LYP method with 6-31G (d,p) as basis set calculations. The optimized geometrical parameters obtained by B3LYP/6-31G (d,p) method shows good agreement with experimental X-ray data. The polarizability and first order hyperpolarizabilty of the title molecule were calculated and interpreted. The intermolecular N–H•••O hydrogen bonds are discussed in dimer structure of the molecule. The vibrational wave numbers and their assignments were examined theoretically using the Gaussian 09 set of quantum chemistry codes. The predicted frontier molecular orbital energies at B3LYP/6-31G(d,p) method set show that charge transfer occurs within the molecule. The frontier molecular orbital calculations clearly show the inverse relationship of HOMO–LUMO gap with the total static hyperpolarizability. The results also show that 2-Chloro-N-(2-methylphenyl) benzamide 2 molecule may have nonlinear optical (NLO) comportment with non-zero values.

Keywords: DFT, HOMO, LUMO, NLO

Procedia PDF Downloads 340

Authors: M. Palizvan, M. H. Sadr, M. T. Abadi

Abstract:

The representative volume element (RVE) plays a central role in the mechanics of random heterogeneous materials with a view to predicting their effective properties. In this paper, a computational homogenization methodology, developed to determine effective linear elastic properties of composite materials, is extended to predict the effective nonlinear elastoplastic response of long fiber reinforced composite. Finite element simulations of volumes of different sizes and fiber volume fractures are performed for calculation of the overall response RVE. The dependencies of the overall stress-strain curves on the number of fibers inside the RVE are studied in the 2D cases. Volume averaged stress-strain responses are generated from RVEs and compared with the finite element calculations available in the literature at moderate and high fiber volume fractions. For these materials, the existence of an RVE is demonstrated for the sizes of RVE corresponding to 10–100 times the diameter of the fibers. In addition, the response of small size RVE is found anisotropic, whereas the average of all large ones leads to recover the isotropic material properties.

Keywords: homogenization, periodic boundary condition, elastoplastic properties, RVE

Procedia PDF Downloads 155

Authors: E. L. Albuquerque, U. L. Fulco, G. S. Ourique

Abstract:

The focus of this work is on the numerical investigation of the charge transport properties of the de novo-designed alpha3 polypeptide, as well as in its variants, all of them probed by gene engineering. The theoretical framework makes use of a tight-binding model Hamiltonian, together with ab-initio calculations within quantum chemistry simulation. The alpha3 polypeptide is a 21-residue with three repeats of the seven-residue amino acid sequence Leu-Glu-Thr-Leu-Ala-Lys-Ala, forming an alpha–helical bundle structure. Its variants are obtained by Ala→Gln substitution at the e (5th) and g (7th) position, respectively, of the alpha3 polypeptide amino acid sequence. Using transmission electron microscopy and atomic force microscopy, it was observed that the alpha3 polypeptide and one of its variant do have the ability to form fibrous assemblies, while the other does not. Our main aim is to investigate whether or not the biased alpha3 polypeptide and its variants can be also identified by quantum charge transport measurements through current-voltage (IxV) curves as a pattern to characterize their fibrous assemblies. It was observed that each peptide has a characteristic current pattern, which may be distinguished by charge transport measurements, suggesting that it might be a useful tool for the development of biosensors.

Keywords: charge transport properties, electronic transmittance, current-voltage characteristics, biological sensor

Procedia PDF Downloads 665

Authors: Pham Ngoc Thang, Le Thai Hung, Nguyen Quang Bau

Abstract:

The influence of confined acoustic phonons on the Shubnikov – de Haas magnetoresistance oscillations in a doped semiconductor superlattice (DSSL), subjected in a magnetic field, DC electric field, and a laser radiation, has been theoretically studied based on quantum kinetic equation method. The analytical expression for the magnetoresistance in a DSSL has been obtained as a function of external fields, DSSL parameters, and especially the quantum number m characterizing the effect of confined acoustic phonons. When m goes to zero, the results for bulk phonons in a DSSL could be achieved. Numerical calculations are also achieved for the GaAs:Si/GaAs:Be DSSL and compared with other studies. Results show that the Shubnikov – de Haas magnetoresistance oscillations amplitude decrease as the increasing of phonon confinement effect.

Keywords: Shubnikov–de Haas magnetoresistance oscillations, quantum kinetic equation, confined acoustic phonons, laser radiation, doped semiconductor superlattices

Procedia PDF Downloads 317

Authors: M. Salmanzadeh

Abstract:

In paper, we will deal with incompressible Couette flow, which represents an exact analytical solution of the Navier-Stokes equations. Couette flow is perhaps the simplest of all viscous flows, while at the same time retaining much of the same physical characteristics of a more complicated boundary-layer flow. The numerical technique that we will employ for the solution of the Couette flow is the Crank-Nicolson implicit method. Parabolic partial differential equations lend themselves to a marching solution; in addition, the use of an implicit technique allows a much larger marching step size than would be the case for an explicit solution. Hence, in the present paper we will have the opportunity to explore some aspects of CFD different from those discussed in the other papers.

Keywords: incompressible couette flow, numerical method, partial differential equation, Crank-Nicolson implicit

Procedia PDF Downloads 538

Authors: Yazid Alkraimeen

Abstract:

Precise prediction of dielectric stresses and high voltages of power transformers require the accurate calculation of frequency-dependent parameters. A lack of accuracy can result in severe damages to transformer windings. Transient conditions is stuided by digital computers, which require the implementation of accurate models. This paper analyzes the computation of frequency-dependent skin and proximity losses included in the transformer winding model, using analytical equations and Finite Element Method (FEM). A modified formula to calculate the proximity and the skin losses is presented. The results of the frequency-dependent parameter calculations are verified using the Finite Element Method. The time-domain transient voltages are obtained using Numerical Inverse Laplace Transform. The results show that the classical formula for proximity losses is overestimating the transient voltages when compared with the results obtained from the modified method on a simple transformer geometry.

Keywords: fast front transients, proximity losses, transformer winding modeling, skin losses

Procedia PDF Downloads 139

Authors: Hamdy M. Youssef, Eman A. Al-Lehaibi

Abstract:

This paper presents an iteration method for the numerical solutions of a one-dimensional problem of generalized thermoelasticity with one relaxation time under given initial and boundary conditions. The thermoelastic material with variable properties as a power functional graded has been considered. Adomian’s decomposition techniques have been applied to the governing equations. The numerical results have been calculated by using the iterations method with a certain algorithm. The numerical results have been represented in figures, and the figures affirm that Adomian’s decomposition method is a successful method for modeling thermoelastic problems. Moreover, the empirical parameter of the functional graded, and the lattice design parameter have significant effects on the temperature increment, the strain, the stress, the displacement.

Keywords: Adomian, decomposition method, generalized thermoelasticity, algorithm

Procedia PDF Downloads 143

Authors: Joon-Hyung Kim, Him-Chan Lee, Jin-Hyuk Kim, Yong-Kab Lee, Young-Seok Choi

Abstract:

The crude oil in an oil well exists in various phases such as gas, seawater, and sand, as well as oil. Therefore, a phase separator is needed at the front of a single-phase pump for pressurization and transfer. On the other hand, the application of a multiphase pump can provide such advantages as simplification of the equipment structure and cost savings, because there is no need for a phase separation process. Therefore, the crude oil transfer method using a multiphase pump is being applied to recently developed oil wells. Due to this increase in demand, technical demands for the development of multiphase pumps are sharply increasing, but the progress of research into related technologies is insufficient, due to the nature of multiphase pumps that require high levels of skills. This study was conducted to verify the reliability of pump performance evaluation using numerical analysis, which is the basis of the development of a multiphase pump. For this study, a model was designed by selecting the specifications of the pump under study. The performance of the designed model was evaluated through numerical analysis and experiment, and the results of the performance evaluation were compared to verify the reliability of the result using numerical analysis.

Keywords: multiphase pump, numerical analysis, experiment, performance evaluation, reliability verification

Procedia PDF Downloads 434

Authors: Michael I. Okereke, Ambrose I. Akpoyomare

Abstract:

This paper presents a numerical study of the impact mechanic of metallic and sandwich structures incorporate with blast resistance enhancements. The study focuses on structures that have been exposed to improvised explosives devices (IEDs) attacks. The results show numerical conclusions on mechanisms to ensure blast resistance enhancement for the applications studied in this work. The work has identified optimal panel configuration both in geometry and configurations to ensure optimal blast resistance response to such IEDs discharges. Findings from this work will drive improvements in especially military and civilian vehicles in countries where blast attacks on vehicular occupants are quite rampant like Pakistan and Afghanistan.

Keywords: blast resistance, blast enhancement, explosives, material behavior

Procedia PDF Downloads 373

Authors: N. Sateesh, C. S. P. Rao, K. Satyanarayana, C. Rajashekar

Abstract:

This paper proposes a development of a CAD/CAM system for complex profiles of various machine members using a synthetic curve i.e. B-spline. Conventional methods in designing and manufacturing of complex profiles are tedious and time consuming. Even programming those on a computer numerical control (CNC) machine can be a difficult job because of the complexity of the profiles. The system developed provides graphical and numerical representation B-spline profile for any given input. In this paper, the system is applicable to represent a cam profile with B-spline and attempt is made to improve the follower motion.

Keywords: plate-cams, cam profile, b-spline, computer numerical control (CNC), computer aided design and computer aided manufacturing (CAD/CAM), R-D-R-D (rise-dwell-return-dwell)

Procedia PDF Downloads 614

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

Abstract:

We investigate the electronic structure, magnetic and optical properties of the orthorhombic NdMnO3 through density-functional-theory (DFT) calculations using both generalized gradient approximation GGA and GGA+U approaches, the exchange and correlation effects are taken into account by an orbital independent modified Becke Johnson (MBJ). The predicted band gaps using the MBJ exchange approximation show a significant improvement over previous theoretical work with the common GGA and GGA+U very closer to the experimental results. Band gap dependent optical parameters like dielectric constant, index of refraction, absorption coefficient, reflectivity and conductivity are calculated and analyzed. We find that when using MBJ we have obtained better results for band gap of NdMnO3 than in the case of GGA and GGA+U. The values of band gap founded in this work by MBJ are in a very good agreement with corresponding experimental values compared to other calculations. This comprehensive theoretical study of the optoelectronic properties predicts that this material can be effectively used in optical devices.

Keywords: DFT, optical properties, absorption coefficient, strong correlation, MBJ, orthorhombic NdMnO3, optoelectronic

Procedia PDF Downloads 911

Authors: A. Didaoui, N. Benhalima, M. Elkeurti, A. Chouaih, F. Hamzaoui

Abstract:

The monomer and dimer structures of the title molecule have been obtained from density functional theory (DFT) B3LYP method with 6-31G(d,p) as basis set calculations. The optimized geometrical parameters obtained by B3LYP/6-31G(d,p) method show good agreement with experimental X-ray data. The polarizability and first order hyperpolarizability of the title molecule were calculated and interpreted. The intermolecular N–H•••O hydrogen bonds are discussed in dimer structure of the molecule. The vibrational wave numbers and their assignments were examined theoretically using the Gaussian 03 set of quantum chemistry codes. The predicted frontier molecular orbital energies at B3LYP/6-31G(d,p) method set show that charge transfer occurs within the molecule. The frontier molecular orbital calculations clearly show the inverse relationship of HOMO–LUMO gap with the total static hyperpolarizability. The results also show that N-(2-Methylphenyl)-2-nitrobenzenesulfonamide molecule may have nonlinear optical (NLO) comportment with non-zero values.

Keywords: DFT, Gaussian 03, NLO, N-(2-Methylphenyl)-2-nitrobenzenesulfonamide, polarizability

Procedia PDF Downloads 326

Authors: Beghdadi Lotfi, Bouziane Abdelhafid

Abstract:

A finite volume method for quadrilaterals unstructured mesh is developed to predict the two dimensional steady-state solutions of conduction equation. In this scheme, based on the integration around the polygonal control volume, the derivatives of conduction equation must be converted into closed line integrals using same formulation of the Stokes theorem. To valid the accuracy of the method two numerical experiments s are used: conduction in a regular block (with known analytical solution) and conduction in a rotated block (case with curved boundaries).The numerical results show good agreement with analytical results. To demonstrate the accuracy of the method, the absolute and root-mean square errors versus the grid size are examined quantitatively.

Keywords: Stokes theorem, unstructured grid, heat transfer, complex geometry

Procedia PDF Downloads 290

Authors: Shuenn-Yih Chang, Chiu-LI Huang, Ngoc-Cuong Tran

Abstract:

A new family of structure-dependent integration methods, whose coefficients of the difference equation for displacement increment are functions of the initial structural properties and the step size for time integration, is proposed in this work. This family method can simultaneously integrate the controllable numerical dissipation, explicit formulation and unconditional stability together. In general, its numerical dissipation can be continuously controlled by a parameter and it is possible to achieve zero damping. In addition, it can have high-frequency damping to suppress or even remove the spurious oscillations high frequency modes. Whereas, the low frequency modes can be very accurately integrated due to the almost zero damping for these low frequency modes. It is shown herein that the proposed family method can have exactly the same numerical properties as those of HHT-α method for linear elastic systems. In addition, it still preserves the most important property of a structure-dependent integration method, which is an explicit formulation for each time step. Consequently, it can save a huge computational efforts in solving inertial problems when compared to the HHT-α method. In fact, it is revealed by numerical experiments that the CPU time consumed by the proposed family method is only about 1.6% of that consumed by the HHT-α method for the 125-DOF system while it reduces to be 0.16% for the 1000-DOF system. Apparently, the saving of computational efforts is very significant.

Keywords: structure-dependent integration method, nonlinear dynamic analysis, unconditional stability, numerical dissipation, accuracy

Procedia PDF Downloads 641

Authors: Ming Wen, Nasim Nezamoddini

Abstract:

Sophisticated numerical simulations like finite element analysis (FEA) involve a complicated process from model setup to post-processing tasks that require replication of time-consuming steps. Utilizing FEA automation program simplifies the complexity of the involved steps while minimizing human errors in analysis set up, calculations, and results processing. One of the main challenges in designing FEA automation programs is to identify user requirements and link them to possible design alternatives. This paper presents a decision-making framework to design a Python based FEA automation program for modal analysis, frequency response analysis, and random vibration fatigue (RVF) analysis procedures. Analytical hierarchy process (AHP) and technique for order preference by similarity to ideal solution (TOPSIS) are applied to evaluate design alternatives considering the feedback received from experts and program users.

Keywords: finite element analysis, FEA, random vibration fatigue, process automation, analytical hierarchy process, AHP, TOPSIS, multiple-criteria decision-making, MCDM

Procedia PDF Downloads 113

Authors: Louis N. Y. Wong

Abstract:

En-echelon fractures are commonly found in rocks, which appear as a special set of regularly oriented and spaced fractures. By using both experimental and numerical approaches, this study investigates the interaction among them, and how this interaction finally contributes to the development of a shear rupture (fault), especially in brittle natural rocks. Firstly, uniaxial compression tests are conducted on marble specimens containing en-echelon flaws. The latter is cut by using the water abrasive jet into the rock specimens. The fracturing processes of these specimens leading to the formation of a fault are observed in detail by the use of a high speed camera. The influences of the flaw geometry on the production of tensile cracks and shear cracks, which in turn dictate the coalescence patterns of the entire set of en-echelon flaws are comprehensively studied. Secondly, a numerical study based on a recently developed contact model, flat-joint contact model using the discrete element method (DEM) is carried out to model the present laboratory experiments. The numerical results provide a quantitative assessment of the interaction of en-echelon flaws. Particularly, the evolution of the stress field, as well as the characteristics of new crack initiation, propagation and coalescence associated with the generation of an eventual shear rupture are studied in detail. The numerical results are found to agree well with the experimental results obtained in both microscopic and macroscopic observations.

Keywords: discrete element method, en-echelon flaws, fault, marble

Procedia PDF Downloads 256

Authors: Ehsan Mohseni

Abstract:

The aim of this thesis is to provide numerical analyses of reinforced concrete beams-column joints with/without CFRP (Carbon Fiber Reinforced Polymer) in order to achieve a better understanding of the behaviour of strengthened beamcolumn joints. A comprehensive literature survey prior to this study revealed that published studies are limited to a handful only; the results are inconclusive and some are even contradictory. Therefore in order to improve on this situation, following that review, a numerical study was designed and performed as presented in this thesis. For the numerical study, dimensions, end supports, and characteristics of the beam and column models were the same as those chosen in an experimental investigation performed previously where ten beamcolumn joint were tested tofailure. Finite element analysis is a useful tool in cases where analytical methods are not capable of solving the problem due to the complexities associated with the problem. The cyclic behaviour of FRP strengthened reinforced concrete beam-columns joints is such a case. Interaction of steel (longitudinal and stirrups), concrete and FRP, yielding of steel bars and stirrups, cracking of concrete, the redistribution of stresses as some elements unload due to crushing or yielding and the confinement of concrete due to the presence of FRP are some of the issues that introduce the complexities into the problem.Numerical solutions, however, can provide further in formation about the behaviour in lieu of the costly experiments or complex closed form solutions. This thesis presents the results of a numerical study on beam-column joints subjected to cyclic loads that are strengthened with CFRP wraps or strrips in a variety of configurations. The analyses are performed by Abaqus finite element program and are calibrated with the experiments. A range of issues in beam-column joints including the cracking load, the ultimate load, lateral load-displacement curves of joints, are investigated.The numerical results for different configurations of strengthening are compared. Finally, the computed numerical results are compared with those obtained from experiments. the cracking load, the ultimate load, lateral load-displacement curves obtained from numerical analysis for all joints were in very good agreement with the corresponding experimental ones.The results obtained from the numerical analysis in most cases implies that this method is conservative and therefore can be used in design applications with confidence.

Keywords: numerical analysis, strengthening, CFRP, reinforced concrete joints

Procedia PDF Downloads 349

Authors: Meriem Harmel, Houari Khachai

Abstract:

We have investigated the structural, electronic and optical properties of a compound perovskite CsSrF3 using the full-potential linearized augmented plane wave (FP-LAPW) method within density functional theory (DFT). In this approach, both the local density approximation (LDA) and the generalized gradient approximation (GGA) were used for exchange-correlation potential calculation. The ground state properties such as lattice parameter, bulk modulus and its pressure derivative were calculated and the results are compared whit experimental and theoretical data. Electronic and bonding properties are discussed from the calculations of band structure, density of states and electron charge density, where the fundamental energy gap is direct under ambient conditions. The contribution of the different bands was analyzed from the total and partial density of states curves. The optical properties (namely: the real and the imaginary parts of the dielectric function ε(ω), the refractive index n(ω) and the extinction coefficient k(ω)) were calculated for radiation up to 35.0 eV. This is the first quantitative theoretical prediction of the optical properties for the investigated compound and still awaits experimental confirmations.

Keywords: DFT, fluoroperovskite, electronic structure, optical properties

Procedia PDF Downloads 480

Authors: M. Saadi, S. E. H. Abaidia, M. Y. Mokeddem.

Abstract:

We present the results of a systematic and comparative study of the bulk, the structural properties, and phonon calculations of aluminum alloys using several exchange–correlations functional theory (DFT) with different plane-wave basis pseudo potential techniques. Density functional theory implemented by the Vienna Ab Initio Simulation Package (VASP) technique is applied to calculate the bulk and the structural properties of several structures. The calculations were performed for within several exchange–correlation functional and pseudo pententials available in this code (local density approximation (LDA), generalized gradient approximation (GGA), projector augmented wave (PAW)). The lattice dynamic code “PHON” developed by Dario Alfè was used to calculate some thermodynamics properties and phonon dispersion relation frequency distribution of Aluminium alloys using the VASP LDA PAW and GGA PAW results. The bulk and structural properties of the calculated structures were compared to different experimental and calculated works.

Keywords: DFT, exchange-correlation functional, LDA, GGA, pseudopotential, PAW, VASP, PHON, phonon dispersion

Procedia PDF Downloads 487

Authors: Sadia Arshad, Ayesha Sohail, Sana Javed, Khadija Maqbool, Salma Kanwal

Abstract:

The dynamical study of the carriers play an essential role in the evolution and global transmission of infectious diseases and will be discussed in this study. To make this approach novel, we will consider the fractional order model which is generalization of integer order derivative to an arbitrary number. Since the integration involved is non local therefore this property of fractional operator is very useful to study epidemic model for infectious diseases. An extended numerical method (ODE solver) is implemented on the model equations and we will present the simulations of the model for different values of fractional order to study the effect of carriers on transmission dynamics. Global dynamics of fractional model are established by using the reproduction number.

Keywords: Fractional differential equation, Numerical simulations, epidemic model, transmission dynamics

Procedia PDF Downloads 602

Authors: N. Benmebarek, F. Berrabah, S. Benmebarek

Abstract:

This paper is interested by numerical analysis using PLAXIS code of geosynthetic reinforced embankment crossing a section about 11 km on sabkha soil of Chott El Hodna in Algeria. The site observations indicated that the surface soil of this sabkha is very sensitive to moisture and complicated by the presence of locally weak zones. Therefore, serious difficulties were encountered during building the first embankment layer. This paper focuses on the use of geosynthetic to mitigate the difficulty encountered. Due to the absence of an accepted design methods, parametric studies are carried out to assess the effect of basal embankment reinforcement on both the bearing capacity and compaction conditions. The results showed the contribution conditions of geosynthetics to improve the bearing capacity of sabkha soil.

Keywords: reinforced embankment, numerical modelling, geosynthetics, weak bearing capacity

Procedia PDF Downloads 297

Authors: Julio Franco

Abstract:

Water is used, directly and indirectly, in all activities of the construction productive chain, making it a subject of worldwide relevance for sustainable development. The ongoing expansion of urban areas leads to a high demand for natural resources, which in turn cause significant environmental impacts. The present work proposes the application of BIM tools to assist the measurement of the water footprint (WF) of civil construction supplies. Data was inserted into the model as element properties, allowing them to be analyzed by element or in the whole model. The WF calculation was automated using parameterization in Autodesk Revit software. Parameterization was associated to the materials of each element in the model so that any changes in these elements directly alter the results of WF calculations. As a case study, we applied into a building project model to test the parameterized calculus of WF. Results show that the proposed parameterization successfully automated WF calculations according to design changes. We envision this tool to assist the measurement and rationalization of the environmental impact in terms of WF of construction projects.

Keywords: building information modeling, BIM, sustainable development, water footprint

Procedia PDF Downloads 148

Authors: Reini S. Ilmiaty, Muhammad B. Al Amin, Sarino, Muzamil Jariski

Abstract:

Kedukan River is an artificial river which serves as a Watershed Boang drainage channel in Palembang. The river has upstream and downstream connected to Musi River, that often overflowing and flooding caused by the huge runoff discharge and high tide water level of Musi River. This study aimed to analyze the flood water surface profile on Kedukan River continued with flood inundation simulation to determine flooding prone areas in research area. The analysis starts from the peak runoff discharge calculations using rational method followed by water surface profile analysis using HEC-RAS program controlled by manual calculations using standard stages. The analysis followed by running flood inundation simulation using ArcGIS program that has been integrated with HEC-GeoRAS. Flood inundation simulation on Kedukan River creates inundation characteristic maps with depth, area, and circumference of inundation as the parameters. The inundation maps are very useful in providing an overview of flood prone areas in Kedukan River.

Keywords: flood modelling, HEC-GeoRAS, HEC-RAS, inundation map

Procedia PDF Downloads 516

Authors: F. Rahimi Dehgolan, M. Behzadi, J. Fathi Sola

Abstract:

In this article, the Johnson-Cook material model’s constants for structural steel ST.37 have been determined by a method which integrates experimental tests, numerical simulation, and optimization. In the first step, a quasi-static test was carried out on a plain specimen. Next, the constants were calculated for it by minimizing the difference between the results acquired from the experiment and numerical simulation. Then, a quasi-static tension test was performed on three notched specimens with different notch radii. At last, in order to verify the results, they were used in numerical simulation of notched specimens and it was observed that experimental and simulation results are in good agreement. Changing the diameter size of the plain specimen in the necking area was set as the objective function in the optimization step. For final validation of the proposed method, diameter variation was considered as a parameter and its sensitivity to a change in any of the model constants was examined and the results were completely corroborating.

Keywords: constants, Johnson-Cook material model, notched specimens, quasi-static test, sensitivity

Procedia PDF Downloads 312

Authors: Dewi Retno Sari Saputro, Purnami Widyaningsih, Hendrika Handayani

Abstract:

Extreme data on an observation can occur due to unusual circumstances in the observation. The data can provide important information that can’t be provided by other data so that its existence needs to be further investigated. The method for obtaining extreme data is one of them using maxima block method. The distribution of extreme data sets taken with the maxima block method is called the distribution of extreme values. Distribution of extreme values is Gumbel distribution with two parameters. The parameter estimation of Gumbel distribution with maximum likelihood method (ML) is difficult to determine its exact value so that it is necessary to solve the approach. The purpose of this study was to determine the parameter estimation of Gumbel distribution with quasi-Newton BFGS method. The quasi-Newton BFGS method is a numerical method used for nonlinear function optimization without constraint so that the method can be used for parameter estimation from Gumbel distribution whose distribution function is in the form of exponential doubel function. The quasi-New BFGS method is a development of the Newton method. The Newton method uses the second derivative to calculate the parameter value changes on each iteration. Newton's method is then modified with the addition of a step length to provide a guarantee of convergence when the second derivative requires complex calculations. In the quasi-Newton BFGS method, Newton's method is modified by updating both derivatives on each iteration. The parameter estimation of the Gumbel distribution by a numerical approach using the quasi-Newton BFGS method is done by calculating the parameter values that make the distribution function maximum. In this method, we need gradient vector and hessian matrix. This research is a theory research and application by studying several journals and textbooks. The results of this study obtained the quasi-Newton BFGS algorithm and estimation of Gumbel distribution parameters. The estimation method is then applied to daily rainfall data in Purworejo District to estimate the distribution parameters. This indicates that the high rainfall that occurred in Purworejo District decreased its intensity and the range of rainfall that occurred decreased.

Keywords: parameter estimation, Gumbel distribution, maximum likelihood, broyden fletcher goldfarb shanno (BFGS)quasi newton

Procedia PDF Downloads 326

Authors: A. Ghadbane, M. N. Bouaziz, S. Hanini, B. Baggoura, M. Abbaci

Abstract:

The spacer grids are used to fix the rods bundle in a nuclear reactor core also act as turbulence-enhancing devices to improve the heat transfer from the hot surfaces of the rods to the surrounding coolant stream. Therefore, the investigation of thermal-hydraulic characteristics inside the rod bundles is important for optima design and safety operation of a nuclear reactor power plant. This contribution presents a feasibility study to use the ribbed spacer grids as mixing devices. The present study evaluates the effects of different ribbed spacer grids configurations on flow pattern and heat transfer in the downstream of the mixing devices in a 2 x 2 rod bundle array. This is done by obtaining velocity and pressure fields, turbulent intensity and the heat transfer coefficient using a three-dimensional CFD analysis. Numerical calculations are performed by employing K-ε turbulent model. The computational results obtained are promising and the comparison with standard spacer grids shows a clear difference which required the experimental approach to validate.

Keywords: PWR fuel assembly, spacer grid, mixing vane, swirl flow, turbulent heat transfer, CFD

Procedia PDF Downloads 488

Authors: Ellis D. Cooper

Abstract:

“Circularchy” is supposed to be an adjustable formal framework with enough expressive power to articulate biological theory about Earthly Life in the sense of multi-scale biological autonomy constrained by non-equilibrium thermodynamics. “Formal framework” means specifically a multi-sorted first-order-theorywithequality (for each sort). Philosophically, such a theory is one kind of “microlect,” which means a “way of speaking” (or, more generally, a “way of behaving”) for overtly expressing a “mental model” of some “referent.” Other kinds of microlect include “natural microlect,” “diagrammatic microlect,” and “behavioral microlect,” with examples such as “political theory,” “Euclidean geometry,” and “dance choreography,” respectively. These are all describable in terms of a vocabulary conforming to grammar. As aspects of human culture, they are possibly reminiscent of Ernst Cassirer’s idea of “symbolic form;” as vocabularies, they are akin to Richard Rorty’s idea of “final vocabulary” for expressing a mental model of one’s life. A formal microlect is presented by stipulating sorts, variables, calculations, predicates, and postulates. Calculations (a.k.a., “terms”) may be composed to form more complicated calculations; predicates (a.k.a., “relations”) may be logically combined to form more complicated predicates; and statements (a.k.a., “sentences”) are grammatically correct expressions which are true or false. Conclusions are statements derived using logical rules of deduction from postulates, other assumed statements, or previously derived conclusions. A circularchy is a formal microlect constituted by two or more sub-microlects, each with its distinct stipulations of sorts, variables, calculations, predicates, and postulates. Within a sub-microlect some postulates or conclusions are equations which are statements that declare equality of specified calculations. An equational bond between an equation in one sub-microlect and an equation in either the same sub-microlect or in another sub-microlect is a predicate that declares equality of symbols occurring in a side of one equation with symbols occurring in a side of the other equation. Briefly, a circularchy is a network of equational bonds between sub-microlects. A circularchy is solvable if there exist solutions for all equations that satisfy all equational bonds. If a circularchy is not solvable, then a challenge would be to discover the obstruction to solvability and then conjecture what adjustments might remove the obstruction. Adjustment means changes in stipulated ingredients (sorts, etc.) of sub-microlects, or changes in equational bonds between sub-microlects, or introduction of new sub-microlects and new equational bonds. A circularchy is modular insofar as each sub-microlect is a node in a network of equation bonds. Solvability of a circularchy may be conjectured. Efforts to prove solvability may be thwarted by a counter-example or may lead to the construction of a solution. An automated theorem-proof assistant would likely be necessary for investigating a substantial circularchy, such as one purported to represent Earthly Life. Such investigations (chains of statements) would be concurrent with and no substitute for simulations (chains of numbers).

Keywords: autonomy, first-order theory, mathematics, thermodynamics

Procedia PDF Downloads 221

Authors: A. Golshani, M. Gharizade Varnusefaderani, S. Majidian

Abstract:

Underground structures are of those structures that have uncertainty in design procedures. That is due to the complexity of soil condition around. Under passing tunnels are also such affected structures. Despite geotechnical site investigations, lots of uncertainties exist in soil properties due to unknown events. As results, it possibly causes conflicting settlements in numerical analysis with recorded values in the project. This paper aims to report a case study on a specific under passing tunnel constructed by New Austrian Tunnelling Method in Iran. The intended tunnel has an overburden of about 11.3m, the height of 12.2m and, the width of 14.4m with 2.5 traffic lane. The numerical modeling was developed by a 2D finite element program (PLAXIS Version 8). Comparing displacement histories at the ground surface during the entire installation of initial lining, the estimated surface settlement was about four times the field recorded one, which indicates that some local unknown events affect that value. Also, the displacement ratios were in a big difference between the numerical and field data. Consequently, running several numerical back analyses using laboratory and field tests data, the geotechnical parameters were accurately revised to match with the obtained monitoring data. Finally, it was found that usually the values of soil parameters are conservatively low-estimated up to 40 percent by typical engineering judgment. Additionally, it could be attributed to inappropriate constitutive models applied for the specific soil condition.

Keywords: NATM, surface displacement history, numerical back-analysis, geotechnical parameters

Procedia PDF Downloads 194

Authors: Dirk Zapf, Bastian Leuger

Abstract:

For several years, natural gas and crude oil have been stored in salt caverns in Germany and also worldwide. The dimensioning concepts have been continuously developed from a rock mechanics point of view. In addition to the possibilities of realizing large numerical calculation models based on real survey data nowadays, especially the consideration of mechanical processes such as damage and healing played a role in the development of adequate material laws. In addition, thermodynamic aspects have had to be considered for some years in the operation of a gas storage cavern since temperature changes have a significant influence on the stress states in the vicinity of a storage cavern. The possibility of thermally induced fracturing processes is also investigated in the context of rock mechanics dimensioning. In recent years, the energy crisis and the finite nature of fossil fuel use have led to increased discussion of the use of salt caverns for hydrogen storage. In this paper, state of the art is presented, the current research work is described, and an outlook is given as to which questions still need to be answered from a rock mechanics point of view in connection with large-scale storage of hydrogen in salt caverns.

Keywords: cavern design, hydrogen, rock salt, thermomechanical coupled calculations

Procedia PDF Downloads 122

Authors: Lara Bettinelli, Bernhard Glatz, Josef Fink

Abstract:

Planning engineers and researchers use various calculation models with different levels of complexity, calculation efficiency and accuracy in dynamic calculations of railway bridges under high-speed traffic. When choosing a vehicle model to depict the dynamic loading on the bridge structure caused by passing high-speed trains, different goals are pursued: On the one hand, the selected vehicle models should allow the calculation of a bridge’s vibrations as realistic as possible. On the other hand, the computational efficiency and manageability of the models should be preferably high to enable a wide range of applications. The commonly adopted and straightforward vehicle model is the moving load model (MLM), which simplifies the train to a sequence of static axle loads moving at a constant speed over the structure. However, the MLM can significantly overestimate the structure vibrations, especially when resonance events occur. More complex vehicle models, which depict the train as a system of oscillating and coupled masses, can reproduce the interaction dynamics between the vehicle and the bridge superstructure to some extent and enable the calculation of more realistic bridge accelerations. At the same time, such multi-body models require significantly greater processing capacities and precise knowledge of various vehicle properties. The European standards allow for applying the so-called additional damping method when simple load models, such as the MLM, are used in dynamic calculations. An additional damping factor depending on the bridge span, which should take into account the vibration-reducing benefits of the vehicle-bridge interaction, is assigned to the supporting structure in the calculations. However, numerous studies show that when the current standard specifications are applied, the calculation results for the bridge accelerations are in many cases still too high compared to the measured bridge accelerations, while in other cases, they are not on the safe side. A proposal to calculate the additional damping based on extensive dynamic calculations for a parametric field of simply supported bridges with a ballasted track was developed to address this issue. In this contribution, several different approaches to determine the additional damping of the supporting structure considering the vehicle-bridge interaction when using the MLM are compared with one another. Besides the standard specifications, this includes the approach mentioned above and two additional recently published alternative formulations derived from analytical approaches. For a bridge catalogue of 65 existing bridges in Austria in steel, concrete or composite construction, calculations are carried out with the MLM for two different high-speed trains and the different approaches for additional damping. The results are compared with the calculation results obtained by applying a more sophisticated multi-body model of the trains used. The evaluation and comparison of the results allow assessing the benefits of different calculation concepts for the additional damping regarding their accuracy and possible applications. The evaluation shows that by applying one of the recently published redesigned additional damping methods, the calculation results can reflect the influence of the vehicle-bridge interaction on the design-relevant structural accelerations considerably more reliable than by using normative specifications.

Keywords: Additional Damping Method, Bridge Dynamics, High-Speed Railway Traffic, Vehicle-Bridge-Interaction

Procedia PDF Downloads 161