Question on slip simulation

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1

Dear Steven,

I plan to simulate the dislocation gliding process under impact loading of titanmiu crystal as illustracted in the attached figure.
Would you please tell me is LAMMPS capable for this kind of simulation?
If the answer is “yes”, is it possible to combine step 1 and step 2 to construct a system of crystal with dislocation directly by LAMMPS?
Thank you very much!!

Sincerely,
Deng Xiguang

Figure on dislocation movement.jpg

2

There are several parts to your model. You can build a perfect crystal
with LAMMPS commands. I don't know how you intend to generate
dislocations or to load the system to observe dislocation movement.
But you can look at fix deform and fix wall/piston. You can also
build a defected crystal yourself and input the atom coords into
LAMMPS via the read_data command.

Steve