Deform command

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1

Dear all,

I am doing a crack simulation and would want to know if there is any difference between using the method which is given in the example and using the deform command.

I did such a simulation which looks fine but I dont know if the method used is correct.

I am deforming in the y direction and have used s p p boundaries.

The same simulation using velocity method I ramp the velocities in the top and bottom atom groups . I use s s p boundary condition.

thanks a lot.

regards,
Ashish

2

They are different. Fix deform changes the box and you
have the option to deform some or all of the atoms
with the box. If you only deform a wall of atoms at the
end of the box, you would be doing something similar
to the example. But if you deform all the atoms
it’s very different.

Steve

3

thanks

4

But what would be the best way to simulate a crack?

The one which imparts velocity to groups ?

5

I think you should let atoms near
the crack move freely, and only control
the positions/velocities of atoms far
from the crack.

Steve