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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: ‪Elina‬ ‪ <elina9015@...16...>
Date: Wed, 8 Nov 2017 18:38:30 +0000 (UTC)

Do you work on multi phase flows?
I am exactly working on multi phase flows with molecular dynamics and encountered with big problems for explaining my results and they need pressure magnitude to be acceptable.
Can you advice a publication that can help me for doing this?  
I have a moving droplet and need to determine pressure inside that phase and outside of it.

From: Eric Murphy <murphyericjames@...24...>
To: elina9015@...16...
Cc: "" <>
Sent: Wednesday, 8 November 2017, 21:44:21
Subject: Re: [lammps-users] Using Irving-Kirkwood formalism for pressure

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.

Eric Murphy
Graduate Research Assistant, Mechanical Engineering
Iowa State University

On Tue, Nov 7, 2017 at 1:35 PM, <> 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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