I developped this program, named dechar_111 ("Defect Characterization in {111} planes"), during my PhD thesis. The purpose of this code was to calculate the Burgers vector of the dislocations I observed in aluminium.
There are two major drawbacks to this program, however.
The first one is that it is a mess. First I used a program professionally developped by my supervisors. Then I added a few stuff, to make the detection of "interesting" planes (the ones containing dislocations) automatic. Then I wouldn't stop including more and more routines to it, to calculate other properties (dislocation line shape, velocity, core extension, etc.). I created a monster, this one-file big program became dechar_111. I never took the time to re-write it properly. So, instead of starting from it and modifying it, you may find more convenient to take the basic ideas from it, and write your own program from scratch.
The second limitation to this program is that it was designed to study {111} planes in the system I was studying (fcc metal with a certain orientation). So it is not general, and will most likely not work on other systems.
If after reading this you still want to try this program, then click the link below to download the Fortran source code:
dechar_111
Copyright © Pierre Hirel 2009-2024
