Author Topic: Diffusion of gases through material  (Read 367 times)

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Offline abhijeetdhakane

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Diffusion of gases through material
« on: September 15, 2017, 21:07 »
I am interested to do molecular dynamics simulation (Classical) in VNL. Is it possible to do it in VNL? Is anybody tried it before? I want to try for Cu over N2 gas


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Dots were nitrogen gas and || were Cu material. Want to heat this system and just want to verify is nitrogen molecules were able to pass Cu or not using classical model and potentials. If anyone tried it before please help me to do it.

Offline Ulrik G. Vej-Hansen

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Re: Diffusion of gases through material
« Reply #1 on: September 17, 2017, 21:50 »
Please see our entire section of tutorials on MD: http://docs.quantumwise.com/tutorials/molecular_dynamics.html