Atomistic Dislocation Generation
The Atomic Dislocation Generation routine is designed to create single dislocations in atomic systems such that their motion can be studied.
- FCC, BCC, HCP, and Diamond materials
- Edge dislocations in PAD and cylinder
- Screw dislocations in cylinder
- Edge dislocations in perfect crystal
First, you will need to compile the Fortran source code. Download the source file below and save it with a *.f90 extension. Then, compile it with either
gfortran -O3 Dislocation.f90 -o atom-dislocation or ifort -O3 Dislocation.f90 -o atom-dislocationThen simply run it. You may get a deallocation error, but check your directory because it may be fine.
It will prompt you for the relevant quantities:
- Crystal Structure
- Material or Lattice Parameter
- System Size (in units of the lattice vectors)
- Dislocation Type (Edge or Screw)
- System Geometry (PAD, Cylinder, or Infinite Crystal)
Download the source here: Media:AtomicDislocation.txt