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[lammps-users] How to deal with the migration of the alumina atoms ?
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[lammps-users] How to deal with the migration of the alumina atoms ?


From: "Shuting Wang" <wangshuting@...6572...>
Date: Mon, 11 Sep 2017 22:10:12 +0800 (GMT+08:00)

Dear LAMMPS users,


I choose hybrid/overlay coul/streitz 12.0 ewald eam/alloy as alumina's force field. After using fix 1 all nvt temp 300 2500 0.04, the alumina atoms would migrate all over the simulation box. While fix 1 all nvt temp 300 300 0.04 was used, the migration would not happen. Therefore I need a fix command to immobilize the alumina atoms and increase its temperatue as well. Can lammps realize my request? Thanks a lot.


Yours sincerely 
Shuting Wang