QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: ams_nanolab on May 6, 2016, 08:06

Title: Electric Field MD simulation
Post by: ams_nanolab on May 6, 2016, 08:06

Is it possible to get through MD simulations in ATK how a point defects will move through a material upon application of electric/ magnetic fields?

Title: Re: Electric Field MD simulation
Post by: Julian Schneider on May 6, 2016, 10:19

This is not possible in ATK-2015, but will be possible in ATK-2016, as long as you can describe the force exerted on the atoms by the field as a constant force (e.g electric field F=q*E) or as a function of the positions of the atoms.