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


From: Eric Murphy <murphyericjames@...24...>
Date: Wed, 8 Nov 2017 12:14:19 -0600

You might want to elaborate on whether you want to calculate pressure (in which case see the manual - common topic on the list as well) or control some sort of pressure drop.

Regards,
Eric Murphy
Graduate Research Assistant, Mechanical Engineering
Iowa State University


On Tue, Nov 7, 2017 at 1:35 PM, <lammps-users@lists.sourceforge.net> wrote:
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.


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