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Dear lammps
I was calculating Young’s modulus of metal.
To calculate Young’s modulus, I had to know elongation of the metal.
The following is the code.
…
variable ly1 equal ly
variable ly0 equal ${ly1}
variable lydelta equal “v_strain*v_ly0/2”
variable print1 equal “(ly-v_ly0)/v_ly0”
displace_atoms gblow move 0 0 0 units box
displace_atoms gbhigh move 0 1 0 units box
…
The value of “ly” was constant even though I could see elongation in dump file.
Because ly means box length (not atom length)
How do I get the value of atom length?
Dear lammps
I was calculating Young's modulus of metal.
To calculate Young's modulus, I had to know elongation of the metal.
The following is the code.
.....
variable ly1 equal ly
variable ly0 equal ${ly1}
variable lydelta equal "v_strain*v_ly0/2"
variable print1 equal "(ly-v_ly0)/v_ly0"
displace_atoms gblow move 0 0 0 units box
displace_atoms gbhigh move 0 1 0 units box
........
The value of "ly" was constant even though I could see elongation in dump
file.
because you are displacing atoms, not deforming the box. why should the
box length change?
Because ly means box length (not atom length)
How do I get the value of atom length?
what is an "atom length"?
axel.