(no subject)

Hi All.

I am a new bee to LAMMPS, and trying to find out the Critical Resolved Shear Stress for pure Cu with one edge dislocation. My orientations are x 1 1 0 y -1 1 1 z 1 -1 2…

I am defining the atom coordinates, and input them to LAMMPS, and performing energy minimization. What i see is that the simulation box is continously increasing in size when i am using fix 1 all box/relax iso 0.0 command, while the atoms seem to be where they are. Can someone help please…??? I am attaching the i/p file.

units		metal
boundary	p p p

atom_style	atomic

lattice	        fcc 3.615

###53100 atoms
	###1 atom types

###-36	241	 xlo xhi
###-55	222	 ylo yhi
###-37	71	 zlo zhi

read_data    data.edgedislocation

region       lower block INF INF INF -45 INF INF units box

region       upper block INF INF  212  INF INF INF units box 
region       left block  INF -26 INF INF INF INF INF units box
region       right block 231 INF INF INF INF INF  units box  
group        boundary union lower upper left right

group        mobile subtract all boundary

min_style      cg

fix           1 all box/relax   iso 0.0

fix            2 boundary setforce 0.0 0.0 0.0

minimize        1e-5 1e-5 10000 10000


Can i please get the input files of someone who has one it.....


Hi All.
I am a new bee to LAMMPS, and trying to find out the Critical Resolved Shear
Stress for pure Cu with one edge dislocation. My orientations are x 1 1 0 y
-1 1 1 z 1 -1 2…
I am defining the atom coordinates, and input them to LAMMPS, and performing
energy minimization. What i see is that the simulation box is continously
increasing in size when i am using fix 1 all box/relax iso 0.0 command,
while the atoms seem to be where they are. Can someone help please…??? I

there is no potential defined.

am attaching the i/p file.

useless since it is incomplete.

axel.