A bidimensional phase-field model with convection for change phase of an alloy

The article analyzes a two-dimensional phase-field model for a non-stationary process of solidification of a binary alloy with thermal properties. The model allows the occurrence of fluid flow in non-solid regions, which are a priori unknown, and is thus associated to a free boundary value problem for a highly non-linear system of partial differential equations. These equations are the phase-field equation, the heat equation, the concentration equation and a modified Navier-Stokes equations obtained by the addition of a penalization term of Carman-Kozeny type which accounts for the mushy effects. A proof of existence of weak solutions for such system is given. The problem is firstly approximated and a sequence of approximate solutions is obtained by Leray-Schauder fixed point theorem. A solution is then found by using compactness argument.     

A comparative analysis of approaches for investigating hypersonic flow over blunt bodies in a transitional regime

Hypersonic flows of a viscous perfect rarefied gas over blunt bodies in a transitional flow regime from continuum to free molecular, characteristic when spacecraft re-enter Earth's atmosphere at altitudes above 90-100 km, are considered. The two-dimensional problem of hypersonic flow is investigated over a wide range of free stream Knudsen numbers using both continuum and kinetic approaches: by numerical and analytical solutions of the continuum equations, by numerical solution of the Boltzmann kinetic equation with a model collision integral in the form of the S-model, and also by the direct simulation Monte Carlo method. The continuum approach is based on the use of asymptotically correct models of a thin viscous shock layer and a viscous shock layer. A refinement of the condition for a temperature jump on the body surface is proposed for the viscous shock layer model. The continuum and kinetic solutions, and also the solutions obtained by the Monte Carlo method are compared. The effectiveness, range of application, advantages and disadvantages of the different approaches are estimated.     

Semi-implicit method for thermodynamically linked equations in phase change problems (SIMTLE)

Thermodynamic coupling of temperature and composition fields in phase-change problems has been a challenge for decades. A compromise has been always desired between numerical efficiency and detailed physical consideration, toward a general scheme. In the present work, a macro–micro numerical method is proposed to link the conservation equations of energy and species with the thermodynamics of the solidification problems. Firstly, the basic structure of the method, simplified with a local equilibrium assumption, is presented. The method is then extended to a multi-phase model, demonstrating a three-phase approach to the solidification of a eutectic binary alloy. Relaxing the limitations imposed by the equilibrium assumption, non-equilibrium and microscale considerations was also included subsequently by a suggested modification to the macroscopic mathematical model. Advantages gained through the general algorithm proposed are concerned with two features of the method; (a) consistency with the energy and species equations. (b) No need of a predefined solidification path; that allows for the usage of raw phase diagram curves and offers simplicity and generality for extension through complex problems (i.e. microscopic, multi-phase or non-equilibrium). A benchmark problem was employed to test the performance of the proposed method in two cases of local equilibrium and Scheil-like solidification. The obtained results were validated in comparison with available semi-analytical solution.     

Finite integral transform-based analytical solutions of dual phase lag bio-heat transfer equation

A finite integral transform (FIT)-based analytical solution to the dual phase lag (DPL) bio-heat transfer equation has been developed. One of the potential applications of this analytical approach is in the field of photo-thermal therapy, wherein the interest lies in determining the thermal response of laser-irradiated biological samples. In order to demonstrate the applicability of the generalized analytical solutions, three problems have been formulated: (1) time independent boundary conditions (constant surface temperature heating), (2) time dependent boundary conditions (medium subjected to sinusoidal surface heating), and (3) biological tissue phantoms subjected to short-pulse laser irradiation. In the context of the case study involving biological tissue phantoms, the FIT-based analytical solutions of Fourier, as well as non-Fourier, heat conduction equations have been coupled with a numerical solution of the transient form of the radiative transfer equation (RTE) to determine the resultant temperature distribution. Performance of the FIT-based approach has been assessed by comparing the results of the present study with those reported in the literature. A comparison of DPL-based analytical solutions with those obtained using the conventional Fourier and hyperbolic heat conduction models has been presented. The relative influence of relaxation times associated with the temperature gradients (τ_T) and heat flux (τ_q) on the resultant thermal profiles has also been discussed. To the best of the knowledge of the authors, the present study is the first successful attempt at developing complete FIT-based analytical solution(s) of non-Fourier heat conduction equation(s), which have subsequently been coupled with numerical solutions of the transient form of the RTE. The work finds its importance in a range of areas such as material processing, photo-thermal therapy, etc.     

Finite volume simulation framework for die casting with uncertainty quantification

The present paper describes the development of a novel and comprehensive computational framework to simulate solidification problems in materials processing, specifically casting processes. Heat transfer, solidification and fluid flow due to natural convection are modeled. Empirical relations are used to estimate the microstructure parameters and mechanical properties. The fractional step algorithm is modified to deal with the numerical aspects of solidification by suitably altering the coefficients in the discretized equation to simulate selectively only in the liquid and mushy zones. This brings significant computational speed up as the simulation proceeds. Complex domains are represented by unstructured hexahedral elements. The algebraic multigrid method, blended with a Krylov subspace solver is used to accelerate convergence. State of the art uncertainty quantification technique is included in the framework to incorporate the effects of stochastic variations in the input parameters. Rigorous validation is presented using published experimental results of a solidification problem.     

A Heat Balance Integral Method for Estimating Practical Solidification Parameters

A heat balance integral technique based on an enthalpy formulationof a metallurgical solidification problem is presented. Unlikethe majority of previous heat balance integral methods the newtechnique can analyse situations in which the phase change takesplace over a temperature range. This means that solidificationparameters of practical significance may be efficiently estimated.An application of the new technique is made to a problem ofbinary alloy solidification. The results obtained are comparedwith existing numerical models.     

Magnetohydrodynamic stationary and oscillatory convective stability in a mushy layer during binary alloy solidification

For the case of solidification of a bottom cooled binary alloy, the magnetohydrodynamic stationary and oscillatory convective stability in the mushy layer is investigated analytically using normal mode linear stability analysis. In the limit of large Stefan number (S_t), a near–eutectic approximation with large far field temperature is considered in the present research. To ascertain the instability in the mushy layer, the strength of the superimposed magnetic field is so chosen that it corresponds to a given mush Hartmann number (Ha_m) of the problem. The results are presented for various values of mush Hartmann numbers in the range, 0 ≤ Ha_m ≤ 50. The critical Rayleigh number for stationary convection shows a linear relationship with increasing Ha_m. The magnetohydrodynamic effect imparts a stabilizing influence during stationary convection. In comparison to that of the stationary convective mode, the oscillatory mode appears to be critically susceptible at higher values of β (β = S_t/℘² ϒ², ℘ is the compositional ratio, ϒ = 1 + S_t/℘), and vice versa for lower β values. Analogous to the behavior for stationary convection, the magnetic field also offers a stabilizing effect in oscillatory convection and thus influences global stability of the mushy layer. Increasing magnetic strength shows reduction in the wavenumber and in the number of rolls formed in the mushy layer.     

Solutions of two-factor models with variable interest rates

The focus of this work is on numerical solutions to two-factor option pricing partial differential equations with variable interest rates. Two interest rate models, the Vasicek model and the Cox–Ingersoll–Ross model (CIR), are considered. Emphasis is placed on the definition and implementation of boundary conditions for different portfolio models, and on appropriate truncation of the computational domain. An exact solution to the Vasicek model and an exact solution for the price of bonds convertible to stock at expiration under a stochastic interest rate are derived. The exact solutions are used to evaluate the accuracy of the numerical simulation schemes. For the numerical simulations the pricing solution is analyzed as the market completeness decreases from the ideal complete level to one with higher volatility of the interest rate and a slower mean-reverting environment. Simulations indicate that the CIR model yields more reasonable results than the Vasicek model in a less complete market.     

Application of averaging techniques to traffic flow theory

Real traffic data are very versatile and are hard to explain with the so‐called standard fundamental diagram. A simple microscopic model can show that the heterogeneity of traffic results in a reduced mean flow and that the reduction is proportional to the density variance. Standard averaging techniques allow us to evaluate this reduction without having to describe the complex microscopic interactions. Using a second equation for the variance results in a two‐dimensional hyperbolic system that can be put in conservative form. The Riemann problem is completely solved in the case of a parabolic fundamental diagram, and the solutions are compared with the famous second‐order Aw–Rascle–Zhang model in a simulation of lane reduction. Adding a diffusion term results in entropy production, and the diffusive model is studied as well. Finally, a numerical scheme is used and converges to the analytical solution. Copyright © 2016 John Wiley & Sons, Ltd.     

Nonlinear Poisson-Boltzmann equation in a model of a scanning tunneling microscope

The nonlinear Poisson-Boltzmann equation is solved in the region between a sphere and a plane, which models the electrolyte solution interface between the tip and the substrate in a scanning tunneling microscope. A finite difference method is used with the domain transformed into bispherical coordinates. Picard iteration with relaxation is used to achieve convergence for this highly nonlinear problem. An adsorbed molecule on the substrate can also be modelled by a superposition of a perturbing potential in a small region of the plane. An approximate analytical solution using a superposition of individual solutions for plane, the adsorbed molecule, and the sphere is also attempted. Results for cases of different potential values on the boundary surfaces and different distances of the sphere from the plane are presented. The results of the numerical method, the approximate analytical method, as well as the previous solutions of the linearized equation are compared. © 1994 John Wiley & Sons, Inc.     

A finite element method for steady-state conduction-advection phase change problems

A new finite element: technique is developed to solve steady-state conduction-advection problems with a phase change. The energy balance equation at the solid/liquid interface is employed to calculate the velocity of the solid/liquid interface in the Lagrangian frame. The position of the solid/liquid interface in the Eulerian frame is determined based on the composition of the velocity of the solid/liquid interface in the Lagrangian frame and the steady-state velocity of a rigid body. The interface position and the finite element mesh are continuously updated during an incremental process. No artificial diffusion is needed with this new finite element approach. An analytical solution for solidification of a pure material with a radiative boundary condition is also developed in this paper. Numerical experimentation is conducted and the corresponding results are compared with analytical solutions. The numerical results agree well with analytical solutions.     

Existence of solutions to an anisotropic phase‐field model

We consider an anisotropic phase‐field model for the isothermal solidification of a binary alloy due to Warren–Boettinger ( Acta. Metall. Mater. 1995; 43 (2):689). Existence of weak solutions is established under a certain convexity condition on the strongly non‐linear second‐order anisotropic operator and Lipschitz and boundedness assumptions for the non‐linearities. A maximum principle holds that guarantees the existence of a solution under physical assumptions on the non‐linearities. The qualitative properties of the solutions are illustrated by a numerical example. Copyright © 2003 John Wiley & Sons, Ltd.     

Global Steady State Analytical Solution of Cadmium Uptake Model for Plant Roots

The concentration distribution of cadmium ion in soil is studied by the phytoavailability model. According to the states of the cadmium complex: fully inert, fully labile and partially labile, we establish three corresponding cadmium uptake sub-models, and derive respective global analytical solutions at steady state. In particular, when the complex is partially labile, we give the steady analytical solution of cadmium ion concentration in cylindrical geometry composed of the analytical solutions of partially labile complex and fully inert complex in planar geometry and fully inert complex in cylindrical geometry, that is, the ration approximation method. In this paper, the global analytical solutions are compared with the results of literature and numerical simulations. Therefore, the double check is realized to ensure the rationality of the analytical method. The global concentration profile of cadmium ions in the whole rhizosphere can be described by the steady state analytical solutions: the concentration of cadmium ion increases with the distance from the root surface and finally reaches the initial value; the change rate of cadmium ion concentration is the largest when the complex is fully labile; whatever the state of the complex is, cadmium ions never accumulate on the root surface. Finally, we discuss and compare the effects of moving and fixed right boundaries of the model on the results. The results show that it is more reasonable to take the fixed right boundary, and plant roots can uptake cadmium ions in a wider range.     

Mobile and immobile gaseous transport: Embedded analytical solutions to finite volume methods

The motivation is driven by deposition processes based on chemical vapor problems. The underlying model problem is based on coupled transport–reaction equations with mobile and immobile areas. We deal with systems of ordinary and partial differential equations. Such equation systems are delicate to solve and we introduce a novel solver method, that takes into account ways to solve analytically parts of the transport and reaction equations. The main idea is to embed the analytical and semianalytical solutions, which can then be explicitly given to standard numerical schemes of higher order. The numerical scheme is based on flux‐based characteristic methods, which is a finite volume method. Such a method is an attractive alternative to the standard numerical schemes, which fully discretize the full equations. We instead reduce the computational time while embedding fast computable analytical parts. Here, we can accelerate the solver process, with a priori explicitly given solutions. We will focus on the derivation of the analytical solutions for general and special solutions of the characteristic methods that are embedded into a finite volume method. In the numerical examples, we illustrate the higher‐order method for different benchmark problems. Finally, the method is verified with realistic results. © 2011 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 2012     

On the explicit resolution of the mushy zone in the modelling of the continuous casting of alloys

In the continuous casting of alloys, it is well-known that the mushy zone is decisive for the final properties of the casting. Most numerical models for the process use enthalpy-based methods on fixed grids which determine the extent the mushy zone implicitly. Here, on the other hand, we develop a methodology for explicitly resolving the geometrical extent of the mushy zone; this involves a sharp-interface formulation to solve a dual moving boundary problem to locate the solidus and liquidus isotherms. The results compare favourably with those from enthalpy-based methods, and the advantages of our approach with respect to future multiphysics calculations are discussed.     

Approximate analytical solution for the Zakharov–Kuznetsov equations with fully nonlinear dispersion

In this paper, variational iteration method (VIM) is used to obtain numerical and analytical solutions for the Zakharov–Kuznetsov equations with fully nonlinear dispersion. Comparisons with exact solution show that the VIM is a powerful method for the solution of nonlinear equations.     

Material-Adapted Design of Textile-Reinforced Composite Structures with Optimized Vibro-Acoustic and Damping Properties Including Shear Effects

Advanced analytical models have been developed at the ILK, which offer a possibility of calculating the vibro-acoustic and damping behavior of textile-reinforced composite shells and plates with account of shear effects. The simulation models elaborated have been verified on selected examples, and the analytical results were fully corroborated by accompanying numerical calculations for typical lay-ups.__________Russian translation published in Mekhanika Kompozitnykh Materialov, Vol. 41, No. 3, pp. 289–302, May–June, 2005.     

A front-tracking model to predict solidification macrostructures and columnar to equiaxed transitions in alloy castings

The solidified grain structure (macrostructure) of castings is predicted by process simulation using a newly extended front-tracking technique which models the growth of solid dendritic fronts through undercooled liquid during metallic alloy solidification. Such fronts are either constrained, as is the case with directed columnar growth from mould walls, or unconstrained, as is the case for multiple equiaxed growth from individual nucleating particles distributed throughout the liquid. Non-linear latent heat evolution is treated by incorporating the Scheil equation. Thermal conductivity changes with the solid fraction. A log-normal distribution of activation undercooling to initiate free growth from equiaxed nuclei is used, and the routines to deal with such growth followed by impingement of dendritic grains upon one another are verified by comparison with the results of analytical studies of simplified systems. The extensions to the model enable the predictions of equiaxed grain structure and, importantly, the columnar to equiaxed transition in inoculated alloy castings. The model is validated via comparison with experimental results. The front-tracking method is proposed as a suitable formulation for modelling alloy castings that solidify with a dendritic structure, either columnar, equiaxed, or both.