Simulate¶
Once you have a clear idea on what to measure and how to do it, it is time to set up the simulation in practice.
Resources¶
In all fields of research, the available resources limit the scope of
the studies that can be carried out. Thus it is important to understand
what can be achieved with the available methods. A program module
friction_tools is provided for building a simulation
from building blocks such as atoms, interactions and dynamics
in a Python environment.
Instructions and examples on how to set up simulations with these tools are
given in section Programming help.
Programming your own routines is of course allowed (and encouraged), but it is not required and you should be able to set up the simulations by using only the provided tools. The technical execution is not the focus of the project. Instead, you should think what should be done and why. It is also encouraged that you discuss your project with the teachers preferrably on MyCourses. You can always ask us if you need advice on technical issues, but we will also gladly give you feedback on your research plan.
Execution¶
It is easy to make a mistake in the preparation of a simulation, putting things in the wrong place. In addition, friction depends on many things and so you may start your simulation with a set of parameters that simply do not work. Therefore you should always check your setup before running a long series of simulations. The simulation tools also allow you to print snapshots of your system, so you should take a look at what you are going to simulate to see if it makes sense (see Analyze).
It’s also a good idea to first run a short simulation to see that everything works and you receive the data you need. A short simulation will also tell you how fast (in real time) your calculations run allowing you to estimate how long the full simulation will take. If you know that your calculation will take an unacceptably long time to finish, you need to design a smaller simulation, find a faster computer, or design better tools.