19

CHAPTER 2

NUMERICAL METHODS

2.1 INTRODUCTION

Numerical simulation has played a vital role to develop the modern

crystal growth technologies used for growing high-quality crystals for high
performance electronic and optoelectronic devices (Chen et al. 2008).
Especially, the application of PV solar cells requires large diameter silicon
either mono or multi crystals with a high perfection, uniform impurities and
dopants distribution and low defect density. Computational modeling has
become a powerful tool for investigating and optimizing of the crystal growth
process. Two core competencies are required for effective use of modeling in
crystal growth. One is thorough grasp of the fundamentals of continuum
transport phenomena and another one is a general understanding of the
numerical methods that are used to discretize and solve the governing
equations of transport phenomena. Generally, the modeller needs knowledge
of modern computer languages as well as some of the numerical methods for
discretization of partial differential equations. Two-dimensional or three-
dimensional modeling of heat and mass transfer is used for analyses of the
thermodynamic properties in the crystal growth process. This chapter deals
with the basic understanding of the numerical methods. The various
numerical discretization schemes such as finite difference method, finite
element method, finite volume method and so on are discussed with the help
of mathematical equations.
 20

2.2 NUMERICAL ANALYSIS

2.2.1 Historical Background

Numerical algorithms are almost as old as human civilization. The

Rhind Papyrus (1650 BC) of ancient Egypt describes a root finding method
for solving a simple equation(Chabert et al. 1999). Archimedes of Syracuse
(287-212 BC) created much new mathematics, including the “method of
exhaustion” for calculating lengths, areas, and volumes of geometric Figures.
When used as a method to find approximations, it is in much the spirit of
modern numerical integration, and it was an important precursor to the
development of the calculus by Isaac Newton and Gottfried Leibnitz
(Edwards 1997). A major impetus to developing numerical procedures was
the invention of the calculus by Newton and Leibnitz, as this led to accurate
mathematical models for physical reality. These mathematical models cannot
be solved explicitly. So, the numerical methods are needed to obtain the
approximate solutions. Another important aspect of the development of
numerical methods was the creation of logarithms by Napier (1614) and
others, giving a much simpler manner of carrying out the arithmetic
operations of multiplication, division and exponentiation. Newton created a
number of numerical methods for solving a variety of problems, and his name
is attached today to generalizations of his original ideas. Special note is his
work on root finding and polynomial interpolation. Following Newton, many
of the giants of the mathematics of the 18th and 19th centuries made major
contributions to the numerical solution of mathematical problems. Foremost
among these are Leonhard Euler (1707-1783), Joseph-Louis Lagrange (1736 -
1813) and Karl Friedrich Gauss (1777-1855). Following the development of
Newton's basic laws of physics, these were applied by many mathematicians
and physicists to establish mathematical models for solid and fluid mechanics.
In the 20th century, the invention of the computer influenced the field of
 21

numerical analysis for simulation of each and every field, since now longer
and more complicated calculations could be done (Goldstine 1977).

2.2.2 Numerical Modeling

Numerical models were developed in the early 1960s and they are
now well-established, which are the process of solving equations and
describing a physical process using a step-wise approximation. Solutions are
obtained by performing iterations (successively improved approximations) at
each step until the numerical answer satisfies. Computational physics is the
study and implementation of numerical algorithms to solve problems in
physics for which a quantitative theory already exists. It is often regarded as a
subdiscipline of theoretical physics but some consider it an intermediate
branch between theoretical and experimental physics. Figure 2.1 shows
simple definition of modeling. Some advantages of computer modeling are
given as follows

i) The most important of a computational prediction is low cost.

ii) A computational investigation can be performed with

remarkable speed. A designer can study the implications of
hundreds of different configurations in less than a day and
choose the optimum design.

iii) A computer solution of a problem gives detailed and complete

information. It can provide the values of all the relevant
variables (such as velocity, pressure, temperature,
concentration, stress etc.) throughout the domain of interest.

iv) In a theoretical calculation, realistic conditions can be

simulated. For a computer program, there is little difficulty in
having very large or very small dimensions, in treating very low
 22

or very high temperatures, in handling toxic or flammable

substances, or in following very fast or very slow processes.

The modeling is simply defined as, the process by which we extract

from a complex physical reality an appropriate mathematical reality on which
we can base a design. The role of the numerical model is simply to assist us in
developing the appropriate mathematical abstraction.

Figure 2.1 Simple definition of modeling

(Source: www.aiaa.org)

2.2.3 General Methodology for Modeling

Barbour & Krahn (2004) clearly discussed the modeling in the

article titled "Numerical modeling–Prediction or process?" They suggested
the following steps:

i) To develop for realizing of the physical model (Conceptual

Model).

ii) To convert the describing physics into a mathematical model

(Mathematical Model).

iii) To found a solution of the mathematical model using analytic,

numerical, analogue or other techniques (Numerical Model).
 23

Based on Mercer & Faust (1981) modeling concept, we may define

the modeling with five steps for crystal growth as follows,

Conceptualize: Crystal growth and Physical processes

Define: Material properties and behavioural processes

Formulate: Numerical descriptions for formulating mathematical model and

solutions for these processes

Solve: Obtain an accurate numerical solution

Interpret: Validate the results and interpret the solutions in the format of the
physical model.

Generally, scientists and engineers have approached the modeling in terms of

the scientific method: observe, measure, explain, and verify. These are most
commonly defined as part of the scientific method as follows:

Observe : Definition of the problem statement based on general observations

Measure : Collection of problem specific data

Explain : Development of a hypothesis explaining the behaviour

Verify : Validation of the hypothesis by comparing the explanation to the

data.

2.3 DEFINITION OF NUMERICAL METHODS

A variety of numerical methods such as the Method of

characteristics, Finite Difference Method (FDM), Finite Element Method
(FEM), Finite Volume Method (FVM), Boundary Element Method (BEM)
 24

and so on have been developed by engineers and scientists for the solution of
physical problems in engineering applications(Peiro & Sherwin 2005). Each
of these methods has its own advantages and disadvantages, and the choice of
method largely depends upon the complexity of the problem and investigator's
familiarity with the methods. Out of many available numerical methods,
FDM, FEM and FVM are currently used for the simulation of crystal growth
and engineering designs, each with specific approaches to discretization. In
the most numerical methods, the unknown state variables are solved at a
discrete number of points in the problem domain considered to obtain
approximate solutions (Nikishkov 2004). Process of dividing the problem
domain into an equivalent system of smaller domains or units and selecting a
discrete number of points is called discretization. The following discretization
schemes address differently the task of replacing the partial differential
equation system with algebraic ones.

The finite volume method is, with respect to the global and
discrete formulation, based on topological laws, the most
natural. The method is based on the approximation of
conservation laws directly in its formulation and is, therefore,
flux conserving by construction. The topological laws and time
stepping procedures can be integrated easily.

The finite element method can be seen as a remarkably flexible

and general method for solving partial differential equations.
Compared to the finite volume method, the spatial discretization
can be much more arbitrary with fewer quality constraints. The
continuous problem with an infinite amount of degrees of
freedom is reformulated as an equivalent variational problem
with a finite dimensional space. The incorporation of
 25

topological laws and time-dependent problems is more

complex.

The finite difference scheme addresses the problem of

numerical analysis from a quite different approach when
compared to the preceding two. Instead of using the
conservation of the original problem or projecting the
continuous problem into a finite-dimensional space, the finite
difference method uses a finite difference approximation for the
differential operators. Despite this method is limited to
structured grids or global cell complexes, it is simple and
effective as well as easy to derive and implement and this
approach gives an optimal solution to different problems than
the originally intended discretized field equation.

2.3.1 Finite Difference Method

Principle: "Derivatives in the partial differential equation are

approximated by linear combinations of function values at the grid points".

The finite difference method was first developed by A. Thom in the

1920s under the title “the method of square” to solve nonlinear hydrodynamic
equations (Thomas 1995). The finite difference techniques are based on the
approximations that permit replacing differential equations by finite
difference equations. These finite difference approximations are algebraic in
form, and the solutions are related to grid points. Figure 2.2 shows the
common 2D grid patterns.
 26

Figure 2.2 Common two - dimension grid patterns

(Source: Thom & Apelt 1961)

A finite difference solution basically involves the following steps:

1. Dividing the solution into grids of nodes.

2. Approximating the given differential equation by finite

difference equivalence that relates the solutions to grid points.

3. Solving the difference equations subject to the prescribed

boundary conditions and/or initial conditions.

4. Do the error analysis, both analytically and numerically.

Some commonly used FDM formulae

The derivatives of the partial differential equation are approximated

by linear combinations of function values at the structured grid points.
Arbitrary order approximations can be derived from a Taylor series
expansion:

n
x xi n
u
u( x) n i , u =C (2.1)
n 0 n! x
 27

Figure 2.3 Various approximations to u'( x ) interpreted as the slope of

secant lines (Source: Tu et al. 2013)

Different geometric interpretations of the first-order finite

difference approximation related to forward, backward, and central difference
approximation which are shown in Figure 2.3. Below we list three commonly
used finite difference formulas to approximate the first order derivative of a
function u(x) using the function values only.

The forward finite difference ,

u ( x h) u ( x)
D u ( x)
h (2.2)

Therefore, the error (absolute error) of the forward finite difference

is proportional to h and the approximation is referred as a first order
approximation.

The backward finite difference,

u ( x ) u ( x h)
D u ( x)
h (2.3)
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The approximation again is a first order approximation.

The central finite difference,

u ( x h) u ( x h)
D u ( x)
0
2h (2.4)

The error is proportional to 2h and the approximation is referred to

as a second order approximation. Note that

1
D u ( x)
0
2 D u ( x) D u ( x)
(2.5)

Likewise, we derive higher order finite difference formula also

(Le Veque 2006).

Consistency, convergence and stability

The first two steps in any finite difference method are (i)
discretization of the problem and (ii) numerical solution of the discretized
system of equations.

If the truncation error term of the finite difference scheme

approaches zero, as the mesh spacing approaches zero, the procedure is said
to be consistent. If again, the solution of the finite difference scheme
approaches the exact solution as the mesh spacinges approach zero, the
procedure is said to be convergent. Further it must be emphasised that in the
finite difference method, since the discretized version of a problem is solved
numerically, numerical round - off errors are committed with each of the
arithmetic operations, addition, subtraction, multiplication and division. If the
cumulative effect of the round-off errors committed at all the mesh points
remains bounded then the finite difference scheme is said to be stable.
 29

It is difficult to study stability based on such a definition. A simple

procedure was put forward by Von Neumann (1950) in which he introduced
the concept of studying the effect of the finite difference scheme on a row of
small errors. If at every step, the effect of the errors remains bounded, it is
said to be stepwise stable; otherwise, it is unstable. The stability analysis
method of Neumann is, strictly speaking, applicable to linear partial
differential equations only. In this method, the influence of the boundary
conditions is ignored. The proof of convergence of a finite difference scheme
is generally difficult and in CFD this result is widely used, though it is not
strictly true for nonlinear partial differential equations.

2.3.2 Finite Element Method

FEM is used for solving engineering problems in solid mechanics,

heat and mass transfer, structural mechanics, aerospace, automobiles,
biomechanics, fluid mechanics and so on. Development of FEM for the
solution of practical engineering problems began with the advent of the digital
computers. FEM envisions the solution processes as built up of many small
interconnected sub-regions or elements and gives a piecewise approximation
to the problem concerned. Hence, most engineering problems, which can be
considered to be in a continuum, can be solved using FEM by the piecewise
approximation (Brenner & Scott 1994).

History of FEM

The basic idea of FEM originated from analysis procedure used in

framed structures like trusses, aircraft, structural analysis and flow network
analysis. For the origin and development of FEM, there are different
perspectives from the viewpoint of a mathematician, physicist and engineer.
From the mathematician's perspective, solutions to boundary value problems
of continuum mechanics were sought by finding approximate upper and lower
 30

bounds for eigenvalues. The physicists were trying to solve continuum

mechanics problems by means of piecewise approximating functions. The
engineers were investigating methodologies for the solution of complex
problems such as stiffness of shell type structures reinforced with ribs.

In the 1930s, when civil engineers dealt with truss analysis, they
identified the solution procedure by solving the component stresses and
deflections as well as the overall strength of the system. Efforts of
mathematicians, physicists and engineers resulted in the development of basic
ideas of finite element method in the 1940s. Hrenikoff (1941) proposed the
'framework method' for the elastic problems. On the other hand, Courant
(1943) presented an assemblage of piecewise polynomial interpolation over
triangular elements and the principle of minimum potential energy to solve
torsion problems. Some mathematical aspects related to eigenvalues were
developed for boundary value problems by Poyla (1954), Hersch (1955) and
Weinberger (1958). Foundation of the finite element was laid by Argyris in
1955 through his book on 'Energy Theorems and Structural Analysis'. Turner
et al. (1956) developed the stiffness matrices for truss, beam and other
elements for engineering analysis of structures. For the first time in 1960, the
terminology 'Finite Element Method' was used by Clough (1960) in his paper
on plane elasticity. In the 1960s a large number of papers appeared related to
the applications and developments of the finite element method. Scientists
and engineers applied FEM for stress analysis, fluid flow problems, and heat
transfer. The first book on FEM was published by Zienkiewicz and Cheung in
1967. By now a large number of research papers and books have been
published on the subject of FEM.

Definition of FEM

Once a domain problem is discretized, the solution can be obtained

for each of the smaller domains or units considered. Such domain wise
 31

solutions can be combined together to obtain a solution for the entire domain.
Hence, the solution is obtained from the approach known as 'going from part
to whole'. The basic idea of FEM is developed from above principle. Figure
2.4 shows the 1D, 2D and 3D finite element discretization. Discrete points
considered in the domain are called nodes and the smaller domains or units
considered are called elements.

Figure 2.4 1D, 2D and 3D Finite element discretization

(Source: Boeraeve 2010)

Some important interpretation and notations of FEM are given:

Physical Interpretation

The continuous physical model is divided into finite pieces called

elements and laws of nature are applied to the generic element. The results are
then recombined to represent the continuum.
 32

Mathematical Interpretation

The differential equation representing the system is converted into a

variational form, which is approximated by the linear combination of a finite
set of trial functions.

FEM notations

Elements are defined by the following properties:

1. Dimensionality

2. Nodal Points

3. Geometry

4. Degrees of Freedom

5. Nodal Forces

General steps of fem

The general steps used in the solution using the finite element
method are described (Logan 2015).

Step 1: Discretize and select element types

This step involves subdividing body into an equivalent system of

small bodies, called 'finite element'. Points at which the primary unknowns
are required to be evaluated are called 'nodes' or 'nodal points' and the
interfaces between the elements are called nodal lines (or nodal planes/
surfaces). A number of unknowns at a node is termed as 'nodal degrees-of-
freedom'. A total number of elements used and their variation in size and type
within a given body are primarily matters of engineering science judgment.
One may choose one - dimensional, two - dimensional, and three -
 33

dimensional or an axis-symmetric element depending upon the physical

system under consideration. Axi-symmetric elements are used when the
geometry and material properties of the physical system are axi-symmetric.
An axi-symmetric element is actually a degenerated, three-dimensional
element and is constructed by rotating a two-dimensional finite element about
the axis of symmetry by 360 .

Step 2: Select approximation functions

This step involves choosing a pattern or shape for the distribution

of the unknown quantity (u), within each element. Unknown quantity can be
displacement for stress analysis problems, temperature heat flow problems,
fluid pressure and/or velocity for fluid flow problem, and both temperature
(fluid pressure) and displacement for coupled problems involving effects of
both flow and deformation. Approximation function is defined within the
element using the model values of the element. Linear, quadratic and cubic
polynomials are frequently used functions because they are simple to work
within the finite element formulation. However, trigonometric series could
also be used. For an n- node element, the approximation function can be
expressed as

u= N1u1+N2u2+......+Nnun (2.6)

where u1, u2 , . . . . . . . , un are the values of the unknown nodal points and N1,
N2, . . , N are the interpolation functions or shape functions.

Step 3: Define the gradients of the unknown quantity and constitutive

relationships

These relationships are necessary for deriving the equations for

each finite element. In stress- analysis problems, gradients and constitutive
relationships are given below.
 34

(a) One -dimensional- Stress analysis

du
Strain/displacement relation: x
(2.7)
dx

Stress-strain relation: x =E x (2.8)

(b) One- dimensional gradient analysis

dh
Fluid gradient = gx = (2.9)
dx

Step 4: Derive element equations

In this step, equations governing the behaviour of a generic

(typical) finite element are obtained by invoking available laws and
principles. These equations describe a relationship between the nodal
degerees of freedom (DOF) and the nodal forcing parameters for the generic
element. This relationship can be written in compact matrix form as

(ke ){qe} = {fe} (2.10)

where (ke ) - element property matrix

{qe} - element vector of unknown DOF

{fe} - vector of element nodal forcing parameters.

Step 5: Assemble element equations to obtain the global or total equation

and introduce boundary conditions

Repeated application of generic element equations results in the

element equations for other elements. The element equations are added
together using a method of superposition to obtain global or total equations
for the entire body. This process of super-position is called 'assembling'.
Implicit in the assembly process is the concept of continuity or compatibility,
 35

which requires that the body remains together and that no tears occur
anywhere in the structure.

The assembled equation can be written in matrix form as

(K) {q} ={F} (2.11)

where (K) - assembled (global) property matrix (assembly of (ke))

{q} - assembled (global) vector of nodal unknowns (assembly

of {qe})

{F} - assembled (global) vector of nodal forcing parameters

(assembly of {fe})

Above equations indicate the capabilities of a body to withstand

applied forces. To evaluate the performance of a body, certain boundary
conditions need to be introduced. Boundary conditions are the physical
constraints or supports that must exist so that the structure or body is not
mobile. These conditions are commonly specified in terms of known values of
unknowns on a part of surface or boundary of the body. The global equations
are modified when values of conditions are incorporated.

Step 6: Solve for the unknown DOF (primary unknowns)

The assembled equations (after the modification for the boundary

conditions) are solved for the q's by using the gauss elimination or iterative
methods. The q's are called the 'primary unknowns' or primary quantities
because they are the first quantities determined using the FEM.
 36

Step 7: Solve for secondary quantities

In most problems, it is necessary to compute secondary quantities

from the primary quantities. In the case of stress-analysis problems, such
quantities can be strains, stresses, moments and shear forces. Once the
primary quantities are known, in most cases, the relationship defined in step 3
can be employed to find the secondary quantities.

Step 8: Interpret the results

Steps 7 and 8 are essentially post-processing parts of a finite

element analysis. Usually, a tabulated or graphical presentation of results
helps in making the design/analysis decisions.

D fferent approaches used in FEM

There are a number of ways in which one can formulate the

properties of individual elements of the domain. Most commonly used
approaches to formulate matrices are: (1) direct approach (2) variational
approach (3) energy approach and (4) weighted residual approach. Use of
direct approach is possible only if a direct relationship base on fundamental
physics and nature of the problem is available for the problem concerned.
Applicability of variational approach depends on the possibility of deriving a
variational functional for the problem concerned. In most structural
mechanics problems, either direct or variational approach based on the
potential energy can be used to derive element property matrix. The energy
approach has limited applications mainly in thermo-mechanic problems. It is
observed that the FEM based on weighted residuals approach has wide
applications in most engineering problems.
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2.3.3 Finite Volume Method

This method is one of the discretization methods which is very

suitable for the various type of numerical simulation (elliptic, parabolic or
hyperbolic, for instance) of the conservation laws (Champier 1993). FVM has
been used in several engineering fields such as aerodynamics, heat and mass
transfer, fluid mechanics, crystal growth and so on. Some of the important
features of the finite volume method are similar to those of the finite element
method. This method got very high recognition on arbitrary geometries, using
structured or unstructured meshes. Recent days, it leads to robust schemes for
most of the simulations. An additional feature is the local conservative of the
numerical fluxes, that is the numerical flux is conserved from one
discretization cell to its neighbour. The finite volume method is locally
conservative because it is based on a “ balance” approach: a local balance is
written on each discretization cell which is often called “control volume”; by
the divergence formula, an integral formulation of the fluxes over the
boundary of the control volume is then obtained (Eymard et al. 2000). The
fluxes on the boundary are discretized with respect to the discrete unknowns.

History of FVM

Finite volume methods for convection-diffusion equations seem to

have been first introduced in the early 1960s by Tichonov & Samarskii
(1962). The convergence theory of such schemes in several space dimensions
has only recently been undertaken. In the case of vertex-centered finite
volume schemes studies were carried out by Samarskii, Lazarov and
Makarov. Cell-centered finite volume schemes are addressed by Manteuffel,
White, Forsyth and Sammon. In the pure diffusion case, the cell-centered
finite volume method has also been analyzed with finite element tools by
Agouzal, Baranger, Maitre and Oudin. Semi linear convection-diffusion is
studied by Feistauer, Felcman, and Lukacova - Medvidova .
 38

The finite volume method was first employed by McDonald for the
simulation of 2D inviscid flows. And it was discussed very well by Patankar
& Spalding (1972) for heat transfer and fluid flow. The basic underlying
discretization procedure is described in detail by Demirdzic and Peric. It was
developed by engineers from the mathematical point of view later around the
1980s, by Eymard, Gallouet and Herbin. An interpolation practice which
avoids this problem has been suggested by Patankar. To calculate the volume
and center of the control-volume hexahedra method suggested by Vinokur
(1989). FV transport algorithm was developed by Lin and Ricky Rood in
1996. This method works by converting volume integrals to surface integrals
(divergence theorem) which can be evaluated as fluxes at the cell walls.

The finite volume principles for general conservation laws

The finite volume method is used for the discretization of

conservation laws. As suggested by its name, Conservation law expresses the
conservation of a quantity q(x, t). For instance, the conserved quantities may
be the energy, mass or the number of moles of some chemical species. Let us
assume that the local form of the conservation equation may be written as

qt(x, t) + div F (x, t) =f(x, t) (2.12)

where (q)t denotes the time partial derivative of the entity within the
parentheses, div represents the space divergence operator. The quantity F is a
flux which expresses a transport mechanism of q. The “source term” f
expresses a possible volumetric exchange.

In each control volume, an integral conservation law is imposed:

"An integral conservation law asserts that the rate of change of the total
amount of a quantity with density u in a fixed control volume V is equal to the
total flux of the quantity through the boundary V " ( Eymard et al. 2000)
 39

t
u dV f ( u ). dA 0 (2.13)
V V

By the step towards the discrete space, the integral conservation

law is transferred to small control volumes:

N
V V i
, Vi Vj =0, i j (2.14)
i 1

There are several possibilities of defining the shape and position of

the control volume with respect to the grid. Two basic approaches can be
distinguished:

Cell- centred scheme - here the flow quantities are stored at the
centroids of the grid. Thus, the control volume is identical to the grid cells.

Cell-vertex scheme - here the flow variables are stored at the grid
points. The control volume can then either be the union of all cells sharing the
grid point, or some volume centred around the grid point.

Figure 2.5 Control volumes used in the finite volume method. Left:
cell-centered. Right: vertex-centered. (Source: Heinzl 2007)

In the cell-centered method, the cells serve directly as control

volumes containing the unknown solutions (degrees of freedom) stored on a
 40

per-cell basis. In a vertex-centered method the control volumes are formed as

a geometric dual to the cell complex and unknown solutions are stored on a
per-vertex basis. Figure 2.5 shows a graphical depiction of these two methods.
The integral conservation law is enforced for each control volume and for the
entire domain (Chen 2006). To obtain a linear system of algebraic equations,
integrals must be expressed in terms of mean values.

Two assumptions are fundamental to the finite volume method.

(i) A piecewise constant cell average is introduced for each control

volume:

1 (2.15)
u i
V
udV
V i
i

This cell average results in a discontinuity at the cell interfaces.

The corresponding single solution flux is thereby ambiguous at
the interface.

(ii) The true flux at the interfaces is replaced by a numerical flux

function g(u, v) : R × R R. For arbitrary spatial dimensions,
the flux integral is approximated by a numerical integration
scheme, e.g., by a quadrature rule:

f ( u ) . dA g (u j , u k ) (2.16)
V jk
f jk
V

Example, the application of control volume method is devoted to

numerical simulation of solidification process both in the macro and
micro/macro scale by Mochnacki, Suchy, Doma ski etc. (Mochnacki &
Suchy, 1995; Doma ski et al. 2009).
 41

Some finite volume cell shapes

A structured grid can only contain finite-volume cells with a

hexahedral shape and unstructured grids allow greater freedom for cell
shapes. Possibilities of unstructured grids shape are as follows:

(i) Generalized Cell (X quadrilateral faces, Y triangular faces)

(ii) Prismatic Cell (3 quadrilateral faces, 2 triangular faces)

(iii) Pyramidal Cell (1 quadrilateral face, 4 triangular faces)

(iv) Tetrahedral Cell (4 triangular faces)

2.3.4 Other Discretization Methods

Boundary element method

The Boundary Element Method (BEM) is one of the numerical

computational methods of solving linear partial differential equations which
have been formulated as integral equations (i.e. in boundary integral form).
Over recent decades, BEM has received much attention from researchers and
has become an important technique in the computational solution of a number
of physical problems. The BEM has some advantages over other numerical
methods like finite element methods or finite differences:

1. Only the boundary of the domain needs to be discretized.

2. Exterior problems with unbounded domains but bounded

boundaries are handled as easily as interior problems.

3. In some applications, the physically relevant data are given not

by the solution in the interior of the domain but rather by the
boundary values of the solution or its derivatives. These data
can be obtained directly from the solution of boundary integral
 42

equations, whereas boundary values obtained from FEM

solutions are in general not very accurate.

4. The solution in the interior of the domain is approximated with

a rather high convergence rate and moreover, the same rate of
convergence holds for all derivatives of any order of the
solution in the domain.

Spectral Element Method

The spectral element method combines the geometric flexibility

of the finite element technique with the high-order spatial accuracy (e.g.,
10th-order) and the rapid convergence rate of the spectral schemes . The
method is based on a high order polynomial representation of the solution
(usually Lagrangian interpolants), combined with a standard Galerkin finite
element method or the method of weighted residuals. The spectral element
method is appropriate either for a particular problem in which high-order
regularity is guaranteed or for which high-order regularity is not the
exception like in incompressible fluid mechanics. The advantage of the
spectral element method is primarily its non-diffusive, non-dispersive
approximation of the convection operator and it is a good approximation of
convection-diffusion boundary layers. The method can be used for
geometrically and physically complex problems.

2.4 NUMERICAL METHODS IN THESIS POINT OF VIEW

The finite element method is used for local modeling to simulate

and analyze the heat transfer of molten stage silicon. It may be seen as a
general method and remarkably flexible for solving the partial differential
equations. The spatial discretization may be much more arbitrary with fewer
quality constraints compared to the FVM. The continuous problem with an
infinite amount of degrees of freedom is reformulated as an equivalent
 43

variational problem with a finite dimensional space. The incorporation of the

unsteady (time-dependent) problems and topological laws is more complex in
directional solidification of the mc-silicon growth process. The temperature
distribution, velocity field, vortices and streamline pattern in molten silicon
are analyzed using FEM for micro scale and macro scale level. The triangular
grids are performed in this mesh generation. The finite volume method is used
for global simulation with respect to the global and discrete formulation,
based on topological laws, the most natural. FVM is based on the
approximation of conservation laws directly in its formulation and is flux
conserving by construction. The incorporation of the topological laws and
time stepping procedures is integrated easily for the whole mc-silicon growth
process. The global modeling of the mc-silicon growth process is used to
investigate the isothermal lines in DS system, stress and dislocation
generation and impurities distributions (C, O, N, SiC). In this simulation,
triangular and quadrangular grids are performed.

2.5 CONCLUSION

This chapter discusses with the basic understanding of the

numerical methods. Mainly, the finite difference method, finite element
method, finite volume method are discussed with the help of basic
mathematical equations. From the thesis point of view, two numerical
methods are used to the simulation of fluid flow and solidification process for
growing better quality mc-silicon ingot. Local and global simulation modeling
of mc-silicon growth process are performed by FEM and FVM respectively.
The research content discussed in the forthcoming chapters may be
considered as two parts. First part (chapter 3 and chapter 4) is based on the
fluid flow properties which is simulated and analysed using finite element
method. Second part (chapter 5, 6 and 7) is based on the thermo physical
parameters such as temperature distribution, stresses, dislocation density and
so on which is simulated and analysed using finite volume method.