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
pair_style eam
pair_coeff Cu_u3.eam
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.....