Index of /output/ARCHIVE_Examples_SAVE/nialcrack10-15-1999-16:07:027:608

      Name                    Last modified       Size  Description


[DIR] Parent Directory        11-May-2008 19:14      -  
[TXT] AtomSphere.pro          15-Oct-1999 16:07     4k  
[TXT] WAVEreadme              15-Oct-1999 16:07     1k  
[TXT] for021.dat              15-Oct-1999 16:07    59k  
[TXT] for022.dat              15-Oct-1999 16:07    59k  
[TXT] fral.dat                15-Oct-1999 16:07    51k  
[TXT] frni.dat                15-Oct-1999 16:07    55k  
[TXT] nialcrack.crack         15-Oct-1999 16:07     1k  
[TXT] nialcrack.dat           15-Oct-1999 16:07     1k  
[TXT] nialcrack.def           15-Oct-1999 16:07     1k  
[TXT] nialcrack.f             15-Oct-1999 16:07   116k  
[TXT] nialcrack.file_lst      15-Oct-1999 16:07     1k  
[TXT] nialcrack.gen           15-Oct-1999 16:07     1k  
[TXT] nialcrack.out           15-Oct-1999 16:08     4k  
[TXT] nialcrack.x             15-Oct-1999 16:07   216k  
[   ] nialcrack.xyz           15-Oct-1999 16:08    24k  
[   ] nialcrack.xyz.wrl       15-Oct-1999 16:08    95k  
[TXT] pal_m.dat               15-Oct-1999 16:07    74k  
[TXT] palni.dat               15-Oct-1999 16:07    71k  
[TXT] pni_m.dat               15-Oct-1999 16:07    74k  
[   ] runvrml.pro             15-Oct-1999 16:07     1k  
[TXT] surface.dat             15-Oct-1999 16:08     1k  
[   ] surface.xyz             15-Oct-1999 16:08     1k  


  Simulation of a crack in a Ni-Al crystal (Farkas/Kriz Sept98) 

  CODE:

  -nialcrack.f (modified newcrack.f)  is the fortran code.


  INPUT:(all files are needed)    

  - nialcrack.dat is the input data file
  - nialcrack.gen is the file with information to generate the
     lattice
  - nialcrack.crack  is the file with information for creating
     a crack  
  - nialcrack.def  is the file with information for creating 
     other defects.
  -There are  other 7 files containing the interatomic
     potential      

 OUTPUT:

  - nialcrack.out is the output files with all kinds of
     information but not coordinates.

  - nialcrack.xyz  is the  coordinate file, can be read by 
     WebLabViewer, Xmol, or Atomview in the CAVE

 TIME:

  This example of a crack in NiAl takes less than one minute 
     on the octane.