PKA energy in cascade simulation

Can anyone please tell me how the energy of the PKA depends on the values you set for vx, vy and vz.

Is it simply: Energy = (1/2)m(vx^2+vy^2+vz^2)

How can I change the direction of the PKA.

Thanks

Apu

yes, that’s the kinetic eng.

Steve

You is a block of commands that gives a single atom a large kinetic energy as follows:

input values, can be specified on command line

variable vx index 100.0
variable vy index 0.0
variable vz index 0.0
variable idpka index 42

set PKA velocity and write out PKA energy

group mypka id {idpka} velocity mypka set {vx} {vy} {vz} sum no units box
compute kepka mypka ke/atom
variable kepka equal c_kepka[{idpka}] thermo_style custom v_kepka run 0 print "PKA energy is = {kepka}"