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
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:
variable vx index 100.0
variable vy index 0.0
variable vz index 0.0
variable idpka index 42
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}"