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Level 1

This problem is suitable for an undergraduate level course.

Run the simulation at 0 K and 273.16 K for the case of one chain per unit cell (follow steps of examples #1 and #2). For both temperatures, compare the

  1. equilibrium SAM structure, e.g., tilt and energy (before lowering the wall),
  2. stress-strain relationship (you need to first convert the wall position into strain), and
  3. magnitudes of Young’s modulus and toughness.