LAMMPS WWW Site - LAMMPS Documentation - LAMMPS Mailing List Archives
[lammps-users] Fwd: Fwd: Command for adding tensile force to atoms in a simulation box
[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

[lammps-users] Fwd: Fwd: Command for adding tensile force to atoms in a simulation box


From: sumit nagar <sn971489@...24...>
Date: Mon, 25 Sep 2017 14:01:50 +0530

Rajesh,

From the documentation i could find out airebo style is only for Carbon -Hydrogen atoms .But while using this it gives an error incorrect arguments for pair coefficients .While the syntax of pair_coeff is correct .The documentation says this error is "self explanatory "My script looks like this 

units metal
boundary p p p
atom_style full
read_data d1.g
pair_style airebo 3.0
pair_coeff * * ../potentials/CH.airebo H C 
fix 1 all deform 1 x erate 0.1 remap v
#fix center all drag 0.0 60 0.0 25 2.0
#fix ff boundary addforce 10 0.0 0.0 
thermo 100
thermo_style custom step temp pe etotal press vol 
neighbor 0.3 bin
neigh_modify every 2 delay 10 check yes page 10000
dump d0 all image  1000 dump.*.jpg type type 
run 10000
Sumit ,Nagar
M.Tech (Production engg)
B.E (Production and Ind Engg)
MCSA 70-290 ,SQL (Oracle z -007)
ITIL certified ,MCAD 70-306
GATE 2006,2013

---------- Forwarded message ----------
From: Rajesh <creativeidleminds@...24...>
Date: Mon, Sep 25, 2017 at 1:35 PM
Subject: Re: [lammps-users] Fwd: Command for adding tensile force to atoms in a simulation box
To: sumit nagar <sn971489@...24...>


Use airebo not lj only

On Sep 25, 2017 13:33, "sumit nagar" <sn971489@...24...> wrote:
Rajesh ,

This is my code can you find the bug ?

units metal
boundary p p p
atom_style full
read_data d1.g
pair_style lj/cut 2.5
pair_coeff * * 1.0 1.0
fix 1 all deform 1 x erate 0.1 remap v
#fix center all drag 0.0 60 0.0 25 2.0
#fix ff boundary addforce 10 0.0 0.0 
thermo 100
thermo_style custom step temp pe etotal press vol 
neighbor 0.3 bin
neigh_modify every 2 delay 10 check yes page 100000
dump d0 all image  1000 dump.*.jpg type type 
run 10000
Sumit ,Nagar
M.Tech (Production engg)
B.E (Production and Ind Engg)
MCSA 70-290 ,SQL (Oracle z -007)
ITIL certified ,MCAD 70-306
GATE 2006,2013

---------- Forwarded message ----------
From: Rajesh <creativeidleminds@...24...>
Date: Mon, Sep 25, 2017 at 1:21 PM
Subject: Re: [lammps-users] Command for adding tensile force to atoms in a simulation box
To: sumit nagar <sn971489@...24...>


then check with your command format.

On Mon, Sep 25, 2017 at 1:18 PM, sumit nagar <sn971489@...24...> wrote:
Rajesh,

I have dumped the image (.jpg) files but i am only getting the simulation box being stretched .The graphene sheet remains as it is . You can take a look at the attached paint files.

Sumit ,Nagar
M.Tech (Production engg)
B.E (Production and Ind Engg)
MCSA 70-290 ,SQL (Oracle z -007)
ITIL certified ,MCAD 70-306
GATE 2006,2013

On Mon, Sep 25, 2017 at 12:46 PM, Rajesh <creativeidleminds@...24...> wrote:
Fix deformation also stretches the structures along with simulation box.

On Sep 25, 2017 12:45, "sumit nagar" <sn971489@...24...> wrote:
Sir ,

Currently i am executing "fix deform" command but that puts entire simulation box in tension with its usage when used with "erate" keyword .I want a command that puts the atoms inside a simulation box  in tension .Can anyone please tell me the name of the command so that i can use it in my simulation .
Sumit ,Nagar
M.Tech (Production engg)
B.E (Production and Ind Engg)
MCSA 70-290 ,SQL (Oracle z -007)
ITIL certified ,MCAD 70-306
GATE 2006,2013

------------------------------------------------------------------------------
Check out the vibrant tech community on one of the world's most
engaging tech sites, Slashdot.org! http://sdm.link/slashdot
_______________________________________________
lammps-users mailing list
lammps-users@...655....net
https://lists.sourceforge.net/lists/listinfo/lammps-users



------------------------------------------------------------------------------
Check out the vibrant tech community on one of the world's most
engaging tech sites, Slashdot.org! http://sdm.link/slashdot
_______________________________________________
lammps-users mailing list
lammps-users@...655....net
https://lists.sourceforge.net/lists/listinfo/lammps-users




------------------------------------------------------------------------------
Check out the vibrant tech community on one of the world's most
engaging tech sites, Slashdot.org! http://sdm.link/slashdot
_______________________________________________
lammps-users mailing list
lammps-users@...655....net
https://lists.sourceforge.net/lists/listinfo/lammps-users