I want to do the md simulation for radiation damage in my material. I have good idea md simulation on protein but radiation damage in material not. So I need help. please help me.
For radiation damage you need to select a single atom by grouping and assign it velocity along x , y and z directions equivalent to the energy you want to assign to the PKA atoms.
Jit Sarkar!
Ive done the same thing as you have mentioned. Ive given a velocity to a single atom but when i visualize the simulation there is a coordinated movement between many atoms. Can you suggest whats the problem here?
Dear Afza Shahid,
I think there is no problem in it. You have assign velocity to the PKA atom which is initiating the knocking process with its surrounding atoms. Thus the surrounding atoms are also moving which in turn generates the damage cascade.
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