Level 2

This problem is suitable for an undergraduate level course.

Run the simulation at 0 K (follow steps of examples #1 and #2) for the cases of one chain per unit cell and two chains per unit cell. For each case:

1. Is the starting SAM structure the same as the equilibrium one? (Hint: observe the orientational angles of the chains to determine the number of chains per unit cell.)
2. Which structure is more stable?
3. Compare the mechanical properties of both structures (Young’s modulus and toughness).