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[lammps-users] Using Irving-Kirkwood formalism for pressure
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[lammps-users] Using Irving-Kirkwood formalism for pressure

From: ‪Elina‬ ‪ <elina9015@...16...>
Date: Tue, 7 Nov 2017 19:35:47 +0000 (UTC)

Hello users
I want to measure pressure for a transient flow.
In the following paper mentioned that Irving-Kirkwood formalism can be used with the peculiar velocity as the molecular velocity minus the
streaming velocity at the molecular position and averaging in short period.
"Molecular dynamics simulation of a pressure-driven liquid transport process in a cylindrical nanopore using two self-adjusting plates"
Is this possible for a transient flow?
I did not see this kind of work in any publications.
Any help for determining pressure in a transient flow will be appreciated.