Finite differencing I
In one dimension, the general form of the convection diffusion equation is
is a general variable, is a spatially-varying diffusivity, is a spatially-varying convection rate, and is a source term. The second term on the left represents diffusion of a solute or other material property, the third term represent convection.
This equation can be used to model a wide range of phenomena, including the distribution of temperatures (or energy conservation) in an ice sheet. It also bears similarity to the equations expressing conservation of momentum, and analysis of the numerical solutions to this equation are representative of the analysis of numerous numerical treatments in computational fluid dynamics. For these reasons, we will make convection diffusion our first "model problem", or problem to solve in order to strengthen intuition.
We will take a step-wise approach to solving this equation, first solving for the diffusion, or parabolic equation, then solving for the convection portion. Finally, we will solve the complete equation. Through this process, we will be looking at the stability of the numerical methods used to solve the equation.
You should think of this as a starting point for both your learning to program, as well as your learning to solve PDEs with programs.
Diffusion and explicit solution
First, we will solve a simplified version of the equation explicitly. Explicit here refers to the way (or what) the differentiation operators are applied to. In this situation they are directly applied to the solution at the present time step in order to determine the next time.
To better understand, apply the idea to what is called the parabolic, diffusion, or sometimes heat equation. In terms of convection diffusion this is , and ,
The finite difference approximation of the equation is
Where both derivative approximations are known from the previous lesson. One is called the 'forward Euler' approximation of the time derivative, and the other is the second order accurate, centered second derivative.
The equation is then algebraically solved for
There you have it, a way to compute the future, using the present. Your first task will be to change this into an algorithm.
One final note, the stencil at the left makes great sense, and understanding it will help make other algorithms clear. However, to understand it we must modify the notation a little. Make super-scripts refer to time and subscripts refer to space. The previous equation becomes
Make sure you recognize how this corresponds with the diagram of the explicit stencil.
One can see from the above equation that one way to numerically solve the parabolic equation is to use stencils or operators for computing second derivatives. Once the derivative is computed, finding the solution corresponding to the next time step, is just a matter of multiplying the derivative by and adding .
In psuedocode, the solution looks something like
Initialize variables loop t over time: loop i over space: u(t,i) = u(t-1,i) + delta_t * (u(t-1,i-1) - 2*u(t-1,i) + u(t-1,i+1) ) / delta_x**2 store solution as needed end loop over space end loop over time
Note that in psuedo-code the final result is an T by N array (T is time steps, N space points). This is typical, the data structures used to store output is often as complex as the algorithm. Sometimes more.
You'll need to do this in fortran 90, and you'll find Gethin's Pragmatic Programming very helpful. Plotting is also a key to understanding simulation output. Again, Gethin's got what you need, although you'll also find the matplotlib documentation helpful (should be familiar if you've used Matlab).
The above line
store solution as needed
is perhaps, frustratingly vague. Gethin's Fortran1: Fortran for beginners discusses input/output, IO, so the writing should not be a problem. Even
will suffice, if you can re-direct program output to a file. Assuming your program is called cd_prg, this is done with
./cd_prg > data
where the > operator will replace whatever was previously in the file data.
As for reading it into Python and plotting it, the main challenges are reading in the data and animating the time series data. Here is some code to do that
#!/usr/bin/env python # Import only what is needed from numpy import loadtxt,shape,linspace from pylab import plot,show,clf,show,ion # Import data file, called 'data' d=loadtxt('data') #Determine how much data came in dims = shape(d) clf() # Clears the screen ion() # Interactive plot mode, critical for animation # x data, note that this must correspond to program's domain x = linspace(0,1,dims) # Initial plot, very Matlab(ish), note return of plot handle that allows plot to # be altered elsewhere in code. ph,=plot(x,d[0,:],'k') ph.figure.show() # matplot lib requires show to be called # Loop to plot each time step for i in range(1,dims): ph.set_ydata(d[i,:]) # Only update y data (faster than replot) ph.figure.show()
- Using the algorithm for the 'explicit' method, find a numerical solution to this heat conduction problem:
Use = 0.1, = 0.005125, and = 1.025. Compare the computed solution to the exact solution . Repeat the experiment with = 0.006 and = 1.026.
- Group one, parabolic, explicit
- Group two, parabolic, explicit
- Group three, parabolic, explicit
- Group four, parabolic, explicit
- Group five, parabolic, explicit
- Group six, parabolic, explicit
Convection and numerical stability
For this unit consider the first-order hyperbolic PDE
Mathematically, this statement is saying that a quantity exists on some grid, and is being carried along by a wind with velocity . Before applying finite difference operators, clean up the notation so that super-scripts () refer to time and subscripts () refer to space.
Continuing to work with explicit schemes, the machinery of descritization allows us to quickly move to the form
and solve to give a recurrence relation
von Neumann Stability Analysis
Before implementing this, consider the stability of the solutions by assuming a very generic form of solution
Maybe you can recall a course in differential equations where you spent the better part of a semester making similar substitutions into equations to find solutions? This complex exponential is the Swiss Army knife of functions, and satisfies many equations.
In our assumed solutions the amplitude is (exponentiated to higher powers with time) and the wave number is . Said in words, we assume that the solution will be oscillatory (recall ) and that the solution's amplitude will depend on the frequency, or . In our discrete case serves as a proxy for space, .
divide through by
What does that mean? If , the solution grows without bound in time, because each time step applies an higher exponent to . So, this solution scheme is unstable for all time steps, and space steps. Bummer.
Now, let's try that again, and when discretizing do what will become a favorite trick, average or smear the values of the function. A new discretization will be
this is called the Lax method. Now consider stability in the same way. Omitting some algebra
is the amplitude. Requiring
to avoid unbound growth, yields
This is called the Courant-Friedrichs-Levy stability criterion. It states that the information on a grid has a velocity of and that the velocity in the system can not be exceeded by it (causing the ratio to exceed one). For such a thing to happen would be completely unphysical. Consider what happens when an object exceeds the velocity of waves in the media that carries it, a sonic boom. This is a "numerical boom".
- Implement the Lax method for a linear system. Is this method explicit or implicit? Use a 10 unit domain and begin with a height 1.0 square wave between 4.5 5.5. Fix the ends at 0. let v be 1.0. Also track the sum of the solution before and after the simulation. End the simulation after 4 seconds. Report the behavior with and without the CFL being satisfied. If the CFL is very small, do things improve. What about when it's just under 1.0. What's going on here. Try subtracting from both sides of the discretization and inspect for differences between the original discretization and Lax. See an extra term?
- Try the leapfrog method for descretization
- Does this improve the numerical diffusion?
Final program and exercise
Bring the descretization schemes for diffusion and convection to solve the convection-diffusion equation explicitly, with finite differences. Consider a non-dimensional form of the equation.
The , the inverse of the Peclet number, the ratio of the velocity scale times the length scale to the diffusivity ,
- On a unit domain, specify =a= 0, =b=1, and Pe = 10.
- Compare the solution to , the analytic solution of the equation, is
- Experiment with the Peclet number and mesh resolution to determine how stable your numerical scheme is.