View source for Atomistic Dislocation Generation

==Purpose==

The Atomic Dislocation Generation routine is designed to create single dislocations in atomic systems such that their motion can be studied. 

;Capabilities
:FCC, BCC, HCP, and Diamond materials
:Edge dislocations in PAD and cylinder
:Screw dislocations in cylinder
:Edge dislocations in perfect crystal

==Usage==

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 <code> gfortran </code> or <code> ifort </code>:
<pre>
gfortran -O3 Dislocation.f90 -o atom-dislocation

or

ifort -O3 Dislocation.f90 -o atom-dislocation
</pre>

Then simply run it. You may get a deallocation error, but check your directory because it may be fine. <pre> ./atom-dislocation </pre>

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)

==Source==
Download the source here: [[Media:AtomicDislocation.txt]]


[[Category:Nanoscale]]
[[Category:Molecular Dynamics]]
[[Category:Script]]
[[Category:ICME Class]]