Search results for: incompressible navier-stokes equations

Authors: M. Jahanandish, M. B. Zeydabadinejad

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In this paper, von Mises and Drucker-Prager yield criteria, as typical ones that consider the effect of intermediate principal stress σ2, have been selected and employed for investigating the influence of σ2 on the solution of a typical stability problem. The bearing capacity factors have been calculated under plane strain condition (strip footing) and axisymmetric condition (circular footing) using the method of stress characteristics together with the criteria mentioned. Different levels of σ2 relative to the other two principal stresses have been considered. While a higher σ2 entry in yield criterion gives a higher bearing capacity; its entry in equilibrium equations (axisymmetric) causes substantial reduction.

Keywords: intermediate principal stress, plane strain, axisymmetric, yield criteria

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Authors: Metin Kömsöken, Ayşe Güneş Tanır, Onur Karaman

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Usage of high energy charged particles for diagnosis and treatment has been widespread in medicine. The main purpose is to investigate that Bremsstrahlung which occurs by tissue interactions with charged particles should not be neglected. Nuclear stopping power (Bremsstrahlung) was calculated for lung, brain, skin, muscle, bone (cortical) and water targets for the energies of electrons obtained from LINAC used in radiotherapy and of β+ sources used in positron emission tomography (PET). These calculations were done by using the four different analytical functions including classical Bethe-Bloch, Tsoulfanidis, modified Bethe-Bloch and modified Tsoulfanidis equations. It was concluded that obtained results were compatible with that of National Institute of Standards and Technology (NIST-ESTAR).

Keywords: β- emitting source, bremsstrahlung, therapeutic radionuclides, LINAC

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Authors: Reza Mohammadi

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Using quartic spline, we develop a method for numerical solution of singularly perturbed two-point boundary-value problems. The purposed method is fourth-order accurate and applicable to problems both in singular and non-singular cases. The convergence analysis of the method is given. The resulting linear system of equations has been solved by using a tri-diagonal solver. We applied the presented method to test problems which have been solved by other existing methods in references, for comparison of presented method with the existing methods. Numerical results are given to illustrate the efficiency of our methods.

Keywords: second-order ordinary differential equation, singularly-perturbed, quartic spline, convergence analysis

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Authors: Louaifi Hamaili Samira, Mataoui Amina, Cheraitia Tadjeddine

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This investigation proposes a numerical analysis of two turbulent parallel jets impinging a heated plate. The heat transfer enhancement is carried out according of the main parameters of the jet-wall interaction. The numerical solution of the stationary equations (RANS) is performed by the finite volume method using the k - ε model. A parametric study is performed to evaluate simultaneously the effect of nozzle-plate distance and velocity ratios in the range 0≤λ≤1. It is found that good local cooling is obtained for λ= 0.25 when the impinging distance is between 4w and 8w than for velocity ratios λ=1 and λ= 0.75. On the other hand, for impinging distances exceeding 8w, the velocity ratio λ =0.75 is more appropriate for good local cooling of the plate.

Keywords: two unequal jets, turbulence, mixing, heat transfer, CFD

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Authors: Roli Saini, Pradeep Kumar

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A coagulation/flocculation process was adopted for the reduction of carbamate insecticide (carbofuran) from aqueous solution. Ferric chloride (FeCl₃) was used as a coagulant to treat the carbofuran. To exploit the reduction efficiency of pesticide concentration and COD, the jar-test experiments were carried out and process was optimized through response surface methodology (RSM). The effects of two independent factors; i.e., FeCl₃ dosage and pH on the reduction efficiency were estimated by using central composite design (CCD). The initial COD of the 30 mg/L concentrated solution was found to be 510 mg/L. Results exposed that the maximum reduction occurred at an optimal condition of FeCl₃ = 80 mg/L, and pH = 5.0, from which the reduction of concentration and COD 75.13% and 65.34%, respectively. The present study also predicted that the obtained regression equations could be helpful as the theoretical basis for the coagulation process of pesticide wastewater.

Keywords: carbofuran, coagulation, optimization, response surface methodology

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Authors: Farid Khosravikia, Patricia Clayton

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The main objective of this study is to evaluate the advantages and disadvantages of various machine learning techniques in forecasting ground-motion intensity measures given source characteristics, source-to-site distance, and local site condition. Intensity measures such as peak ground acceleration and velocity (PGA and PGV, respectively) as well as 5% damped elastic pseudospectral accelerations at different periods (PSA), are indicators of the strength of shaking at the ground surface. Estimating these variables for future earthquake events is a key step in seismic hazard assessment and potentially subsequent risk assessment of different types of structures. Typically, linear regression-based models, with pre-defined equations and coefficients, are used in ground motion prediction. However, due to the restrictions of the linear regression methods, such models may not capture more complex nonlinear behaviors that exist in the data. Thus, this study comparatively investigates potential benefits from employing other machine learning techniques as a statistical method in ground motion prediction such as Artificial Neural Network, Random Forest, and Support Vector Machine. The algorithms are adjusted to quantify event-to-event and site-to-site variability of the ground motions by implementing them as random effects in the proposed models to reduce the aleatory uncertainty. All the algorithms are trained using a selected database of 4,528 ground-motions, including 376 seismic events with magnitude 3 to 5.8, recorded over the hypocentral distance range of 4 to 500 km in Oklahoma, Kansas, and Texas since 2005. The main reason of the considered database stems from the recent increase in the seismicity rate of these states attributed to petroleum production and wastewater disposal activities, which necessities further investigation in the ground motion models developed for these states. Accuracy of the models in predicting intensity measures, generalization capability of the models for future data, as well as usability of the models are discussed in the evaluation process. The results indicate the algorithms satisfy some physically sound characteristics such as magnitude scaling distance dependency without requiring pre-defined equations or coefficients. Moreover, it is shown that, when sufficient data is available, all the alternative algorithms tend to provide more accurate estimates compared to the conventional linear regression-based method, and particularly, Random Forest outperforms the other algorithms. However, the conventional method is a better tool when limited data is available.

Keywords: artificial neural network, ground-motion models, machine learning, random forest, support vector machine

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Authors: H. Yazdani, K. Ghorbanian

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This paper deals with modeling and simulation of the plasma actuator with OpenFOAM. Plasma actuator is one of the newest devices in flow control techniques which can delay separation by inducing external momentum to the boundary layer of the flow. The effects of the plasma actuators on the external flow are incorporated into Navier-Stokes computations as a body force vector which is obtained as a product of the net charge density and the electric field. In order to compute this body force vector, the model solves two equations: One for the electric field due to the applied AC voltage at the electrodes and the other for the charge density representing the ionized air. The simulation result is compared to the experimental and typical values which confirms the validity of the modeling.

Keywords: active flow control, flow-field, OpenFOAM, plasma actuator

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Authors: Alam Ali, Ashok Kumar Pathak

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Path analysis is a statistical technique used to evaluate the direct and indirect effects of variables in path models. One or more structural regression equations are used to estimate a series of parameters in path models to find the better fit of data. However, sometimes the assumptions of classical regression models, such as ordinary least squares (OLS), are violated by the nature of the data, resulting in insignificant direct and indirect effects of exogenous variables. This article aims to explore the effectiveness of a copula-based regression approach as an alternative to classical regression, specifically when variables are linked through an elliptical copula.

Keywords: path analysis, copula-based regression models, direct and indirect effects, k-fold cross validation technique

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Authors: Anthony R. Hassan, Jacob A. Gbadeyan

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In this paper, the analysis of a reactive hydromagnetic Poiseuille fluid flow under each of sensitized, Arrhenius and bimolecular chemical kinetics through a channel in the presence of heat source is carried out. An exothermic reaction is assumed while the concentration of the material is neglected. Adomian Decomposition Method (ADM) together with Pade Approximation is used to obtain the solutions of the governing nonlinear non – dimensional differential equations. Effects of various physical parameters on the velocity and temperature fields of the fluid flow are investigated. The entropy generation analysis and the conditions for thermal criticality are also presented.

Keywords: chemical kinetics, entropy generation, thermal criticality, adomian decomposition method (ADM) and pade approximation

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Authors: D. Mohammadzadeh S., J. Bolouri Bazaz

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This paper presents a new prediction model for compression index of fine-grained soils using multi-gene genetic programming (MGGP) technique. The proposed model relates the soil compression index to its liquid limit, plastic limit and void ratio. Several laboratory test results for fine-grained were used to develop the models. Various criteria were considered to check the validity of the model. The parametric and sensitivity analyses were performed and discussed. The MGGP method was found to be very effective for predicting the soil compression index. A comparative study was further performed to prove the superiority of the MGGP model to the existing soft computing and traditional empirical equations.

Keywords: new prediction model, compression index soil, multi-gene genetic programming, MGGP

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Authors: Rabia Saleem

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This research has a recently proposed strategy to find the exact inflationary solution of the Friedman equations in the context of the Rastall theory of gravity (RTG), known as constant-roll warm inflation, including dissipation effects. We establish the model to evaluate the effective potential of inflation and entropy. We develop the inflationary observable like scalar-tensor power spectra, scalar-tensor spectral indices, tensor-to-scalar ratio, and running of spectral-index. The theory parameter $\lambda$ is constrained to observe the compatibility of our model with Planck 2013, Planck TT, TE, EE+lowP (2015), and Planck 2018 bounds. The results are feasible and interesting up to the 2$\sigma$ confidence level.

Keywords: modified gravity, warm inflation, constant-roll limit, dissipation

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Authors: Ersan Aktas, Eren Turanoğuz

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In this study, the quad-electrical rotor driven unmanned aerial vehicle system is designed and modeled using fundamental dynamic equations. After that, mechanical, electronical and control system of the air vehicle are designed and implemented. Brushless motor speeds are altered via electronic speed controllers in order to achieve desired controllability. The vehicle's fundamental Euler angles (i.e., roll angle, pitch angle, and yaw angle) are obtained via AHRS sensor. These angles are provided as an input to the control algorithm that run on soft the processor on the electronic card. The vehicle control algorithm is implemented in the electronic card. Controller is designed and improved for each Euler angles. Finally, flight tests have been performed to observe and improve the flight characteristics.

Keywords: quadrotor, UAS applications, control architectures, PID

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Authors: Rasaq Kareem, Jacob Gbadeyan

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In this study, analysis of the entropy generation of an unsteady reactive hydromagnetic generalized couette fluid flow of a two-step exothermic chemical reaction through a channel with isothermal wall temperature under the influence of different chemical kinetics namely: Sensitized, Arrhenius and Bimolecular kinetics was investigated. The modelled nonlinear dimensionless equations governing the fluid flow were simplified and solved using the combined Laplace Differential Transform Method (LDTM). The effects of fluid parameters associated with the problem on the fluid temperature, entropy generation rate and Bejan number were discussed and presented through graphs.

Keywords: couette, entropy, exothermic, unsteady

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Authors: Ridha Zgolli, Hatem Kanfoudi

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Cavitating flows inside a diesel injection nozzle hole were simulated using a mixture model. A 2D numerical model is proposed in this paper to simulate steady cavitating flows. The Reynolds-averaged Navier-Stokes equations are solved for the liquid and vapor mixture, which is considered as a single fluid with variable density which is expressed as function of the vapor volume fraction. The closure of this variable is provided by the transport equation with a source term TEM. The processes of evaporation and condensation are governed by changes in pressure within the flow. The source term is implanted in the CFD code ANSYS CFX. The influence of numerical and physical parameters is presented in details. The numerical simulations are in good agreement with the experimental data for steady flow.

Keywords: cavitation, injection nozzle, numerical simulation, k–ω

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Authors: M. Qamarul Islam, Ergun Dogan, Mehmet Yazici

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There is a growing body of evidence that non-normal data is more prevalent in nature than the normal one. Examples can be quoted from, but not restricted to, the areas of Economics, Finance and Actuarial Science. The non-normality considered here is expressed in terms of fat-tailedness and asymmetry of the relevant distribution. In this study a skew t distribution that can be used to model a data that exhibit inherent non-normal behavior is considered. This distribution has tails fatter than a normal distribution and it also exhibits skewness. Although maximum likelihood estimates can be obtained by solving iteratively the likelihood equations that are non-linear in form, this can be problematic in terms of convergence and in many other respects as well. Therefore, it is preferred to use the method of modified maximum likelihood in which the likelihood estimates are derived by expressing the intractable non-linear likelihood equations in terms of standardized ordered variates and replacing the intractable terms by their linear approximations obtained from the first two terms of a Taylor series expansion about the quantiles of the distribution. These estimates, called modified maximum likelihood estimates, are obtained in closed form. Hence, they are easy to compute and to manipulate analytically. In fact the modified maximum likelihood estimates are equivalent to maximum likelihood estimates, asymptotically. Even in small samples the modified maximum likelihood estimates are found to be approximately the same as maximum likelihood estimates that are obtained iteratively. It is shown in this study that the modified maximum likelihood estimates are not only unbiased but substantially more efficient than the commonly used moment estimates or the least square estimates that are known to be biased and inefficient in such cases. Furthermore, in conventional regression analysis, it is assumed that the error terms are distributed normally and, hence, the well-known least square method is considered to be a suitable and preferred method for making the relevant statistical inferences. However, a number of empirical researches have shown that non-normal errors are more prevalent. Even transforming and/or filtering techniques may not produce normally distributed residuals. Here, a study is done for multiple linear regression models with random error having non-normal pattern. Through an extensive simulation it is shown that the modified maximum likelihood estimates of regression parameters are plausibly robust to the distributional assumptions and to various data anomalies as compared to the widely used least square estimates. Relevant tests of hypothesis are developed and are explored for desirable properties in terms of their size and power. The tests based upon modified maximum likelihood estimates are found to be substantially more powerful than the tests based upon least square estimates. Several examples are provided from the areas of Economics and Finance where such distributions are interpretable in terms of efficient market hypothesis with respect to asset pricing, portfolio selection, risk measurement and capital allocation, etc.

Keywords: least square estimates, linear regression, maximum likelihood estimates, modified maximum likelihood method, non-normality, robustness

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Authors: Mohammad Ahmad, Dayalan Kasilingam

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In this paper, a spectral domain implementation of the fast multipole method is presented. It is shown that the aggregation, translation, and disaggregation stages of the fast multipole method (FMM) can be performed using the spectral domain (SD) analysis. The spectral domain fast multipole method (SD-FMM) has the advantage of eliminating the near field/far field classification used in conventional FMM formulation. The study focuses on the application of SD-FMM to one-dimensional (1D) and two-dimensional (2D) electric field integral equation (EFIE). The case of perfectly conducting strip, circular and square cylinders are numerically analyzed and compared with the results from the standard method of moments (MoM).

Keywords: electric field integral equation, fast multipole method, method of moments, wave scattering, spectral domain

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Authors: Rouhollah Torabi, Ashkan Chavoshi, Sheyda Almasi, Shima Almasi

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In this paper the effect of impeller trim on centrifugal pump performance is studied and the most important effect which is decreasing the flow rate, differential head and efficiency is analyzed. For this case a low specific speed centrifugal pump is simulated with CFD. Total flow inside the pump including the secondary flow in sidewall gap which form internal leakage is modeled simultaneously in CFX software. The flow field in different area of pumps such as inside impeller, volute, balance holes and leakage through wear rings are studied. To validate the results experimental tests are done for various impeller diameters. Results also compared with analytic equations which predict pump performance with trimmed impeller.

Keywords: centrifugal pump, CFD, impeller, trim

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Authors: Funda Erdem Şahnali, Ş. Özgür Atayılmaz, Tolga N. Aynur

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Almost all of the domestic refrigerators operate on the principle of the vapor compression refrigeration cycle and removal of heat from the refrigerator cabinets is done via one of the two methods: natural convection or forced convection. In this study, airflow and temperature distributions inside a 375L no-frost type larder cabinet, in which cooling is provided by forced convection, are evaluated both experimentally and numerically. Airflow rate, compressor capacity and temperature distribution in the cooling chamber are known to be some of the most important factors that affect the cooling performance and energy consumption of a refrigerator. The objective of this study is to evaluate the original temperature distribution in the larder cabinet, and investigate for better temperature distribution solutions throughout the refrigerator domain via system optimizations that could provide uniform temperature distribution. The flow visualization and airflow velocity measurements inside the original refrigerator are performed via Stereoscopic Particle Image Velocimetry (SPIV). In addition, airflow and temperature distributions are investigated numerically with Ansys Fluent. In order to study the heat transfer inside the aforementioned refrigerator, forced convection theories covering the following cases are applied: closed rectangular cavity representing heat transfer inside the refrigerating compartment. The cavity volume has been represented with finite volume elements and is solved computationally with appropriate momentum and energy equations (Navier-Stokes equations). The 3D model is analyzed as transient, with k-ε turbulence model and SIMPLE pressure-velocity coupling for turbulent flow situation. The results obtained with the 3D numerical simulations are in quite good agreement with the experimental airflow measurements using the SPIV technique. After Computational Fluid Dynamics (CFD) analysis of the baseline case, the effects of three parameters: compressor capacity, fan rotational speed and type of shelf (glass or wire) are studied on the energy consumption; pull down time, temperature distributions in the cabinet. For each case, energy consumption based on experimental results is calculated. After the analysis, the main effective parameters for temperature distribution inside a cabin and energy consumption based on CFD simulation are determined and simulation results are supplied for Design of Experiments (DOE) as input data for optimization. The best configuration with minimum energy consumption that provides minimum temperature difference between the shelves inside the cabinet is determined.

Keywords: air distribution, CFD, DOE, energy consumption, experimental, larder cabinet, refrigeration, uniform temperature

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

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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

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Authors: Leonard Kabeya Mukeba Yakasham

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The theoretical machinery from singularity theory introduced by Glolubitsky, Stewart, and Schaeffer, to study equivariant bifurcation problem is completed and expanded wile generalized to the multiparameter context. In this setting the finite deterinancy theorem or normal forms, the stability of equivariant bifurcation problem, and the structural stability of universal unfolding are discussed. With Yakam Matrix the solutions are limited for some partial differential equations stochastic nonlinear of the open questions in singularity artificial intelligence for future.

Keywords: equivariant bifurcation, symmetry singularity, equivariant jets and transversality; normal forms, universal unfolding instability, structural stability, artificial intelligence, pdens, yakam matrix

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Authors: Jeon Chi-Ho, Lee Jae-Bin, Shim Chang-Su

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National bridge inventory in Korea shows that the number of old prestressed concrete (PSC) bridgeover 30 years of service life is rapidly increasing. Recently tendon corrosion is one of the most critical issues in the maintenance of PSC bridges. In this paper, mechanical properties of corroded strands, which were removed from old bridges, were evaluated using tensile test. In the result, the equations to express the mechanical behavior of corroded strand were derived and compared to existing equation. For the decision of tendon replacement, it is necessary to evaluate the effect of corrosion level on strength and ductility of the structure. Considerations on analysis of PSC girders were introduced, and decision making on tendon replacement was also proposed.

Keywords: prestressed concrete bridge, tendon, corrosion, strength, ductility

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Authors: Khaled M. El Naggar

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This paper introduces a digital method for fault section identification in transmission lines. The method uses digital set of the measured short circuit current to locate faults in electrical power systems. The digitized current is used to construct a set of overdetermined system of equations. The problem is then constructed and solved using the proposed digital optimization technique to find the fault distance. The proposed optimization methodology is an application of simulated annealing optimization technique. The method is tested using practical case study to evaluate the proposed method. The accurate results obtained show that the algorithm can be used as a powerful tool in the area of power system protection.

Keywords: optimization, estimation, faults, measurement, high voltage, simulated annealing

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Authors: K. Aravinth, C. T. Vignesh

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The usage of pulse tube cryocoolers is significantly increased mainly due to the advantage of the absence of moving parts. The underlying idea of this project is to optimize the design of pulse tube, regenerator, a resonator in cryocooler and analyzing the thermo-acoustic oscillations with respect to the design parameters. Computational Fluid Dynamic (CFD) model with time-dependent validation is done to predict its performance. The continuity, momentum, and energy equations are solved for various porous media regions. The effect of changing the geometries and orientation will be validated and investigated in performance. The pressure, temperature and velocity fields in the regenerator and pulse tube are evaluated. This optimized design performance results will be compared with the existing pulse tube cryocooler design. The sinusoidal behavior of cryocooler in acoustic streaming patterns in pulse tube cryocooler will also be evaluated.

Keywords: acoustics, cryogenics, design, optimization

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Authors: Khaled I. Nawafleh

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In this paper, it provide the canonical approach for studying dissipated oscillators based on the doubling of degrees of freedom. Clearly, expressions for Lagrangians of the elementary modes of the system are given, which ends with the familiar classical equations of motion for the dissipative oscillator. The equation for one variable is the time reversed of the motion of the second variable. it discuss in detail the extended Bateman Lagrangian specifically for a dual extended damped oscillator time-dependent. A Hamilton-Jacobi analysis showing the equivalence with the Lagrangian approach is also obtained. For that purpose, the techniques of separation of variables were applied, and the quantization process was achieved.

Keywords: doubling of degrees of freedom, dissipated harmonic oscillator, Hamilton-Jacobi, time-dependent lagrangians, quantization

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Authors: Galal Elkobrosy, Amr M. Abdelrazek, Bassuny M. Elsouhily, Mohamed E. Khidr

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Crank shaft length, connecting rod length, crank angle, engine rpm, cylinder bore, mass of piston and compression ratio are the inputs that can control the performance of the slider crank mechanism and then its efficiency. Several combinations of these seven inputs are used and compared. The throughput engine torque predicted by the simulation is analyzed through two different regression models, with and without interaction terms, developed according to multi-linear regression using LU decomposition to solve system of algebraic equations. These models are validated. A regression model in seven inputs including their interaction terms lowered the polynomial degree from 3^rd degree to 1^st degree and suggested valid predictions and stable explanations.

Keywords: design of experiments, regression analysis, SI engine, statistical modeling

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Authors: Xu Runzhang, Yang Yanbing, Niu Yi, Zhang Mingyou, Liu Yu

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For a class of semilinear parabolic equations with linear dynamical boundary conditions in a bounded domain, we obtain both global solutions and finite time blow-up solutions when the initial data varies in the phase space H1(Ω). Our main tools are the comparison principle, the potential well method and the concavity method. In particular, we discuss the behavior of the solutions with the initial data at critical and high energy level.

Keywords: high energy level, critical energy level, linear dynamical boundary condition, semilinear parabolic equation

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Authors: J. H. Kim, J. H. Kwon, J. S. Park, K. J. Lim

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This paper has investigated a technique that predicts the performance of a bar-type unimorph piezoelectric vibration actuator depending on the frequency. This paper has been proposed an equivalent circuit that can be easily analyzed for the bar-type unimorph piezoelectric vibration actuator. In the dynamic analysis, rigidity and resonance frequency, which are important mechanical elements, were derived using the basic beam theory. In the equivalent circuit analysis, the displacement and bandwidth of the piezoelectric vibration actuator depending on the frequency were predicted. Also, for the reliability of the derived equations, the predicted performance depending on the shape change was compared with the result of a finite element analysis program.

Keywords: actuator, piezoelectric, performance, unimorph

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Authors: O. W. Lawal, L. O. Ahmed, Y. K. Ali

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The unsteady MHD Poiseuille flow of a third grade fluid between two parallel horizontal nonconducting porous plates is studied with heat transfer. The two plates are fixed but maintained at different constant temperature with the Joule and viscous dissipation taken into consideration. The fluid motion is produced by a sudden uniform exponential decaying pressure gradient and external uniform magnetic field that is perpendicular to the plates. The momentum and energy equations governing the flow are solved numerically using Maple program. The effects of magnetic field and third grade fluid parameters on velocity and temperature profile are examined through several graphs.

Keywords: exponential decaying pressure gradient, MHD flow, Poiseuille flow, third grade fluid

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Authors: Z. Sadeghi, M. R. Omidkhah, M. E. Masoomi

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The purpose of this paper is to examine gas transport behavior of mixed matrix membranes (MMMs) combined with porous particles. Main existing models are categorized in two main groups; two-phase (ideal contact) and three-phase (non-ideal contact). A new coefficient, J, was obtained to express equations for estimating effect of the particle porosity in two-phase and three-phase models. Modified models evaluates with existing models and experimental data using Matlab software. Comparison of gas permeability of proposed modified models with existing models in different MMMs shows a better prediction of gas permeability in MMMs.

Keywords: mixed matrix membrane, permeation models, porous particles, porosity

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Authors: Marc Sader, Michiel Stock, Bernard De Baets

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Considering a large amount of adsorption data of adsorbate gases on adsorbent materials in literature, it is interesting to predict such adsorption data without experimentation. A quantitative structure-activity relationship (QSAR) is developed to correlate molecular characteristics of gases and existing knowledge of materials with their respective adsorption properties. The application of Random Forest, a machine learning method, on a set of adsorption isotherms at a wide range of partial pressures and concentrations is studied. The predicted adsorption isotherms are fitted to several adsorption equations to estimate the adsorption properties. To impute the adsorption properties of desired gases on desired materials, leave-one-out cross-validation is employed. Extensive experimental results for a range of settings are reported.

Keywords: adsorption, predictive modeling, QSAR, random forest

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