Sharif Digital Repository

A novel method is used to link a 2D kinetic Monte Carlo code to a 1D finite difference code to construct a more realistic and efficient tool for simulating various electrochemical processes. This multiscale model is able to simulate the long-scale mass transfer of electroactive species in bath along with electrode surface phenomena at atomic scale simultaneously. An embedded atom method (EAM) has been used to evaluate the barrier energies of diffusion and redox reactions on electrode surface. The FD code provides the ion concentration on OHP for KMC code, while the KMC code provides the surface activity and rate constants of redox reactions as an input data for FD code. The electrochemical... 

The present study employs Discrete Element Method (DEM) to establish a rheological model that relates the apparent viscosity of a granular material to shear rate, normal stress, and water saturation. In addition, a theoretical model was developed to determine water distribution and water-induced forces between particles for different saturations. The resulting forces were embedded in a 3D shear cell as a numerical rheometer, and a wet specimen was sheared between two walls. A power law rheological model was then obtained as a function of inertia number and saturation. It was found that up to a critical saturation, the apparent viscosity increased with saturation that was higher than that of... 

A finite difference-based numerical model simulating the cone penetration process in unsaturated sands is presented. Mohr–Coulomb model (MCM) with simple modifications and Sun model (SM) were implemented to capture the unsaturated sand behaviour. It was shown that the cone tip resistance values resulting from the two models were fairly comparable. Predicted cone tip resistance values in dry, saturated and unsaturated sands using MCM were validated by the results of field and calibration chamber tests. Sensitivity analyses were performed, and the influence of parameters including relative density, mean effective stress and apparent cohesion due to suction on the tip resistance was... 

We introduce two-dimensional space plus time (2D+1) structure and numerically investigate it using a developed multilayer simulation framework, for the first time. The new structure is consisting of crossed grating with time-varying permittivity which is inspired from1D+1. In this regard, we extend FourierModal Method (FMM) in a general approach for spacetime multilayer states. Our proposed framework is fast, robust, and powerful compared to various finite difference methods. We use the scattering matrix technique to develop the proposed spacetime simulation method for multilayer structures using a non-uniform stack of layers. The method is perfectly suitable to investigate the... 

Utilization of heat storage units in solar energy systems can resolve the challenge of fluctuation and uncertainty of the solar energy. Phase change materials (PCMs) are used as the storage media for solar energy storage systems. In this research, a system including of a solar collector and a PCM-based cascaded energy storage unit was numerically investigated. Air was used as the heat transfer fluid (HTF) and three paraffin-based materials (RT50, RT65, and RT80) were used as PCM for the energy storage unit. The investigated system mainly operates between 15 °C and 90 °C and considering different PCMs, the selected PCMs were appropriate. Paraffin-based PCMs also present acceptable thermal... 

A model of heat and mass transfer of two dimensional MHD micropolar fluid over a cone is constructed. Similarity transformation is adopted for the conversion of partial differential equations into ordinary differential equations have been linearized by employing the Newton's linearization technique and then new sets of equations are discretized using the finite difference method. The impact of non-dimensional parameters is further analyzed and the numerical results for profiles of velocity, temperature and concentration are expressed graphically and the results are discussed in detail. For the higher values of Dufour number, temperature field is enhanced graphically but show the opposite... 

The Computational fluid dynamics (CFD)–discrete element method (DEM) numerical simulation may be applied to predict the hydrodynamic behavior of dense particle–fluid flows. The main drawback of this simulation is the long computational time required owing to the large number of particles and the minute time-step required to maintain a stable solution. In this work, a new method to improve the efficiency and accuracy of CFD–DEM simulations is presented. The particle stiffness coefficient is used as a flexible parameter to improve the accuracy and efficiency of the model. The particle concentration distribution results are compared with experimental one’s to derive the optimum effective... 

A model of heat and mass transfer of two dimensional MHD micropolar fluid over a cone is constructed. Similarity transformation is adopted for the conversion of partial differential equations into ordinary differential equations have been linearized by employing the Newton's linearization technique and then new sets of equations are discretized using the finite difference method. The impact of non-dimensional parameters is further analyzed and the numerical results for profiles of velocity, temperature and concentration are expressed graphically and the results are discussed in detail. For the higher values of Dufour number, temperature field is enhanced graphically but show the opposite... 

The Computational fluid dynamics (CFD)–discrete element method (DEM) numerical simulation may be applied to predict the hydrodynamic behavior of dense particle–fluid flows. The main drawback of this simulation is the long computational time required owing to the large number of particles and the minute time-step required to maintain a stable solution. In this work, a new method to improve the efficiency and accuracy of CFD–DEM simulations is presented. The particle stiffness coefficient is used as a flexible parameter to improve the accuracy and efficiency of the model. The particle concentration distribution results are compared with experimental one’s to derive the optimum effective... 

Karun Bridge is part of a national highway project underway in southern Iran. The bridge is a 336 m steel arch structure that weighs more than 2500 tons and crosses the Karun River 270 meters above the river valley. The bridge will be the largest suspended bridge in the Middle East. Cantilever construction is to be used to construct the bridge from both sides simultaneously. The weight of the bridge is to be carried by two abutments and four piers that are anchored to exposed weathered rock mass. Loads on the abutments and piers include significant cantilever loads and moments during bridge erection and wind loads. Daily rapid temperature changes also will impart significant thermal loads on... 

An effective numerical technique is presented to model turbulent motion of a standing surface wave in a tank. The equations of motion for turbulent boundary layers at the solid surfaces are coupled with the potential flow in the bulk of the fluid, and a mixed BEM-finite difference technique is used to obtain the wave and boundary layer characteristics such as bed shear stress. A mixing-length theory is used for turbulence modeling. Although the technique is presented for a standing surface wave, it can be easily applied to other free surface problems. Copyright © 2005 by ASME  

The absorber is an important component in absorption machines and its characteristics have significant effects on the overall efficiency of absorption machines. This article reports on the results of numerical studies on the characteristics of falling film LiBr-H2O solution on a completely wetted horizontal tube and the associated vapor absorption in the Reynolds number range of 5 < Re < 100. The boundary layer assumptions are used for the transport of mass, momentum and energy equations and the finite difference method is employed to solve the governing equations in the film flow. The heat and mass transfer coefficients are expressed in the forms of Reynolds number, Prandtl number and... 

In this paper, the numerical errors associated with the finite difference solutions of two-dimensional advection-dispersion equation with linear sorption are obtained from a Taylor analysis and are removed from numerical solution. The error expressions are based on a general form of the corresponding difference equation. The variation of these numerical truncation errors is presented as a function of Peclet and Courant numbers in X and Y direction, a Sink/Source dimensionless number and new form of Peclet and Courant numbers in X-Y plane. It is shown that the Crank-Nicolson method is the most accurate scheme based on the truncation error analysis. The effects of these truncation errors on... 

The numerical errors associated with explicit upstream finite difference solutions of two-dimensional advection - Dispersion equation with linear sorption are formulated from a Taylor analysis. The error expressions are based on a general form of the corresponding difference equation. The numerical truncation errors are defined using Peclet and Courant numbers in the X and Y direction, a sink/source dimensionless number and new Peclet and Courant numbers in the XY plane. The effects of these truncation errors on the explicit solution of a two-dimensional advection-dispersion equation with a first-order reaction or degradation are demonstrated by comparison with an analytical solution in... 

The transient heat transfer analysis of a layer has been studied much less than the steady state. However, transient temperature distribution resulted from including radiation and conduction simultaneously, is significantly different from those obtained by considering conduction alone. In order to include the effect of radiation heat transfer, we must insert the gradient of radiative flux in the energy equation. For this purpose, a variety of multi-flux methods have been suggested. A simplified procedure is the two-flux method, which is the one used in the present paper. This paper is focused on one-dimensional transient heat transfer of a layer using Finite Difference Method. To this end, a... 

Using the Martin-Siggia-Rose method, we study propagation of acoustic waves in strongly heterogeneous media which are characterized by a broad distribution of the elastic constants. Gaussian-white distributed elastic constants, as well as those with long-range correlations with nondecaying power-law correlation functions, are considered. The study is motivated in part by a recent discovery that the elastic moduli of rock at large length scales may be characterized by long-range power-law correlation functions. Depending on the disorder, the renormalization group (RG) flows exhibit a transition to localized regime in any dimension. We have numerically checked the RG results using the... 

In this paper a laminar flow of water on an ice layer subjected to a slip condition is considered numerically. The paper describes a parametric mathematical model to simulate the coupled heat and mass transfer events occurring in moving boundary problems associated with a quasi steady state steady flow process. The discretization technique of the elliptic governing differential equations of mass, momentum and energy is based on the control volume finite difference approach and enthalpy method, the results illustrate, the distribution of heat transfer coefficient, ice melting thickness, slip velocity at solid moving boundary and boundary layer thickness for some values of slip velocity... 

This paper gives details of the refinement and application of a two-dimensional horizontal model for rivers. An explicit finite-difference algorithm was used for solving the governing differential equations, which includes the conservation of mass and momentum to predict hydrodynamic parameters. The model includes different turbulence closure models - that is, constant eddy viscosity, Prandtl simple mixing length and Smagorinsky methods. An experimental programme was designed and carried out in a laboratory flume to measure the length of eddy produced at the entrance of the intake. Model predictions have been compared with experimental results for a lateral intake. The effect of different... 

The three-dimensional supersonic turbulent flows over wrap-around fin missiles have been computed using the Thin Layer Navier-Stokes (TLNS) equations to reduce the computational efforts compared to those of the Full Navier-Stokes (FNS) equations. In this research, the missile configuration is divided into multi regions to enable fluid flow simulation using Personal Computers (PC). It also makes it possible to use a different number of nodes and distribution of grids in each region to enhance the accuracy. The Thin Layer Navier-Stokes equations in the generalized coordinate system were solved using an efficient, implicit, finite-difference factored algorithm of the Beam and Warming. For the... 

The Finite Difference Time Domain (FDTD) method has been applied to the analysis of abruptly-ended dielectric waveguides. In these waveguides, incident propagating wave undergoes reflection in an interaction with the end-facet. As a result of the discontinuity, all possible propagating modes may be excited. The constituent propagating modes are extracted from the reflected wave by the least square method. Thus, we present a good estimation of the amplitudes of the reflected modes. This full wave analysis technique is also capable of analyzing any arbitrarily shaped facet. © 2004 IEEE