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Electric Field MD simulation
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Topic: Electric Field MD simulation (Read 3049 times)
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ams_nanolab
Supreme QuantumATK Wizard
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Electric Field MD simulation
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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?
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Julian Schneider
QuantumATK Staff
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Re: Electric Field MD simulation
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Reply #1 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.
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