preparing the data file for Fe, Cu Ni, Cr(stainless steel)

LAMMPS LAMMPS Mailing List Mirror
1

Dear lammps users,

Q1. I want to prepare the data file for Fe,Cu,Ni,Cr (stainless steel) .Is it possibleto prepare the data file by using VMD or is there any other software is there?

Q2. what are the parameters we can find out by using FIX TTM at different

temperature.Is this fix TTM is the heat treatment process?

I have read two papers about fixTTM ,but I did not understand how they find out defects in Fe.If any body knows please help me.

(Duffy) D M Duffy and A M Rutherford, J. Phys.: Condens. Matter, 19, 016207-016218 (2007).

(Rutherford) A M Rutherford and D M Duffy, J. Phys.: Condens. Matter, 19, 496201-496210 (2007).

2

See this web page for builders compatible with LAMMPS.
If you just want a lattice with a unit cell and basis atoms,
the lattice command can do it.

http://lammps.sandia.gov/prepost.html

Steve