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[lammps-users] non equilibrium and non steady molecular dynamics simulations
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[lammps-users] non equilibrium and non steady molecular dynamics simulations


From: ‪Ali Khodadadi‬ ‪ <alikhodadadi90@...16...>
Date: Sun, 5 Nov 2017 12:59:54 +0000 (UTC)

Hi

I am working on my MS thesis and encountered a problem for computing pressure and forces.
I have a droplet that moves in another fluid and i want to compute pressure on its interface.
I searched a lot in publications that computed pressure and i got that all of them have time correlation function for computing pressure. In my project i cant use time correlation function and averaging in a long period of time to compute my favorite output.
I want to know that is there any method for computing macroscopic properties with non equilibrium and non steady molecular dynamics simulations.
Any help will be appreciated. 
 
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Ali Khodadadi (MSC)
School of Mechanical Engineering
Sharif University of Technology
Tehran, Iran.
Email: khodadadi_ali@...7217...
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