Simulating 2D materials

Hello,

I am trying to simulate EBSD pattern for 2D structures with EMsoft. I have a question about basic geometry.

1. Is there any way to control/change the size of the geometry (such as the thickness, and lateral in-plane dimensions)? Also how do we make sure that the EBSD simulations are being performed in the thickness (vertical) direction?
2. Additionally, does it have any implications on the simulated pattern (theoretically).
3. Our purpose is to compare these with experimental EBSD which will be performed for 2-20 nm thickness (i.e., typically 3-30 layers of MoS2)
4. One more question on top of this, is there any way to simulate 2D heterostructures (for example MoS2 with hBN as substrate)?

I think the all answers to my question lies in the xtal creation step but your elaborations are much appreciated. Thanks and look forward to your response.

Joydeep