Title: Finite Difference Methods - Partial Differential Equations
1Lecture 12
- Finite Difference Methods - Partial Differential
Equations
2Finite difference replacement (CTP3.1)
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4 5Finite difference replacement (CTP3.1)
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7Finite Difference Methods
- Partial differential equations
- Elliptic equations, boundary value problems
In studying Molecular Dynamics we were concerned
with an initial value problem, i.e. the function
and its derivative were given at one point
(t0) A one-dimensional boundary value problem
would be Schrodingers equation, with ?(x0) and
?(xL) given.
The methods for solution in the two cases are
quite different.
8Example Elliptical equation, boundary value
problem
9Procedure
- Construct a grid
- At all interior points replace the pde by finite
difference version - Solve these finite difference equations for the
unknown values of the function
10Grid (n1)(m1) points, hX/m, kY/n
11At each interior point replace the p.d.e.
(?(xi,yj)??i,j)
Consider ?i,,j as an (n-1)(m-1) component vector
?, the equations take the form M?S, where S is a
column vector of N(n-1)(m-1) known quantities.
12The exact solution ?ij of these equations is not
the same as the solution of the differential
equation F(xi,yj)
Truncation error ??ij-?(xi,yj) ?
13With hk,
Case where f0,
14Matrix M
15Case Poissons equation, f0, with hk
- Solution exact solution ? exists
- Direct, e.g. ? M-1 S
Random Walk
Relaxation
16Solution of the equations by relaxation
? satisfies
General linear iteration,
17Guess a solution u(0)
initial error array e(0) ?- u(0)
Improved (?) solution
18Error array after k iterations
19where ?(J) is the spectral radius of J, the
largest in magnitude of its eigenvalues
20But how quickly does the iteration converge?
21Rate of convergence
But we dont know e(k)
Test for convergence