Thermal conduction

Change the boundary conditions so that one wall is 'hot' and a second is 'cold'. How can this be implemented with a molecular dynamics code? Characterize the distribution of temperature in the system as a function of position. Measure the thermal conductivity of your system as a function of density. See the chapter from the book of Werner Krauth: Krauth_BC.pdf on how to re-sample a wall distribution at a different temperature. In particular implement Algorithm 2.10.

Add a single larger and heavier particle in the system with a temperature gradient. What does it do?

This project is difficult talk with us first if you attempt. The difficulties are above all linked to the statistical physics concepts needed and less the programming.