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Re: [lammps-users] problem in fix indent
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Re: [lammps-users] problem in fix indent


From: Axel Kohlmeyer <akohlmey@...24...>
Date: Sat, 14 Apr 2018 10:13:51 -0400

On Sat, Apr 14, 2018 at 9:58 AM, Vijay Reddy <vijay00vegeta@...24...> wrote:
> Dear all,
>
> I have tried to simulate the indentation of metallic Ni alloy using fix
> indent. However, I want to keep the indenter at a fixed position and move
> the specimen toward the indenter using move linear command. But in this
> case, the indentation doesn't occur.
>
> If the process is reversed, i.e. the specimen is fixed and the indenter is
> linearly moved, there is absolutely no problem. Indentation occurs.
>
> I need to fix the indenter and move the specimen. Can someone help me with
> some suggestions.

why? this is just a change of the frame of reference. just stick with
moving the indenter.
using fix move makes no sense, as it ignores forces and moves
particles according to the prescribed path.

> The relevant section of the code is given below:
>
> # indenter position and radius at onset of loading
>
> fix         4 mobile indent 1000.0 sphere 60 60 122 25 units box
>
> fix 5 mobile move linear 0 0 5 units box
>
> thermo       500
>
> thermo_style    custom step temp c_new v_z v_disp1 f_4[1] f_4[2] f_4[3]
>
> dump         1 all atom 10
> AlNiCo_interface_dump.indent8_3d_unload.dump*.lammpstrj
>
> run 50000
>
> After running this code, a warning message shows:
>
> One or more atoms are time integrated more than once (../modify.cpp:266)

which is a very serious problem resulting from your bad choice of setup.

axel.

>
>
>
> With Thanks and Regards,
> K Vijay Reddy
>
>
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-- 
Dr. Axel Kohlmeyer  akohlmey@...24...  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.