Dear all:
i´m new on lammps and i could calculate properties of argon with this program. The problem i am trying to solve now is put an sphere and move it with and electric field (easy task… ¿?). When i put an positive electric field the sphere moves with a given velocity and when i put an negative electric field the sphere moves with otrer much lower velocity. I have a problem with the ensemble i use, i suppose (nvt o nve) but i spent a lot of time trying to solve and i couldn´t solve it yet.Help is really appreciated !!!
I put the code i use
units lj
atom_style charge
lattice fcc 1
region laurabox block -100 100 -100 1000 -1000 1000
create_box 1 laurabox
region filament sphere 0 0 0 2
create_atoms 1 region filament
mass 1 1.0
set atom 1 charge -2.0
#------------ kspace_style ewald 1.0e-3
pair_style lj/cut 2.5
pair_coeff 1 1 1 1 6.05
group mid region filament
velocity mid zero linear
neighbor 0.3 bin
neigh_modify every 20 delay 0 check no
#------------ fix 1 all nvt temp 393.15 393.15 100.0
#------------ Pongo campo para un lado
fix 22 all efield 0.0 0.0 -20
fix 1 all nve
dump id all atom 50 dump.titi030.9
timestep 0.01
thermo 100
run 2000
#------------ fix 22 all efield 0.0 0.0 -20
#------------ run 2000
Thank you so much !!!
Mg. Néstor Ghenzi
Centro Atómico Constituyentes
1650 Buenos Aires
Argentina
Tel: +541167727102
+541167727808
[[email protected]...](mailto:[email protected]...)
[[email protected]...](mailto:[email protected]...)
[http://www.tandar.cnea.gov.ar/~ghenzi](http://www.tandar.cnea.gov.ar/%7Eghenzi)