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Re: [lammps-users] lost atoms with fix wall/srd
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Re: [lammps-users] lost atoms with fix wall/srd

From: "dry6211@...24..." <dry6211@...24...>
Date: Thu, 16 Nov 2017 11:14:09 +0900

Dear Michal

Thank you for the advice. I have done that, but as a lot of atoms are escaping, I really cannot get useful information from it. I still don't know how to solve this problem. My collision timestep and the mean free path are both very very small.


From: Michał Kański
Date: 2017-11-15 21:58
To: dry6211@...24...; lammps-users
Subject: RE: [lammps-users] lost atoms with fix wall/srd

Change boundary to m m m and visualize the trajectory of your system to make sure from where and which atoms are escaping.





Od: dry6211@...24... <dry6211@...24...>
Wysłane: Wednesday, November 15, 2017 12:55:05 PM
Do: lammps-users
Temat: [lammps-users] lost atoms with fix wall/srd
Dear lammps users,

Now I'm trying to simulate colloidal particles with hydrodynamics using fix srd command. If I set all the boundary conditions to periodic, the simulation runs well. But if I just add two walls (use fix wall/srd) and change the corresponding boundaries to fixed, the simulation will always run a little while and end with errors of lost atoms (and a big number of atoms, so must be srd particles). I'm really surprised and I thought it should be easy to bound the srd particles between walls by simply using fix wall/srd command. What did I miss? BTW, I use fix wall lj/126 to bound colloidal particles, but as they are far from the wall, I don't think they are interacting with it when the error occurs.

Thank you so much for your help!

Best regards,

Ruoyu Dong