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Ising_OPV v3.0
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@MikeHeiber MikeHeiber released this 18 Aug 23:08
· 91 commits to master since this release
v3.0
1970a6a

DOI

What's New in v3.0?

Version 3.0 fixes a significant bug present in the previous versions, adds several exciting new features, and contains several major performance improvements.

Major New Features:

  • Added the ability to shrink the lattice by a specified integer factor
  • Added the ability to use a 3D checkerboard starting configuration instead of a random blend
  • Added the ability to modify the interaction energy in one of the directions to allow anisotropic domain growth
  • Improved the analysis file output to include a list of the properties of all morphologies in the set
  • Added output of the average correlation function for the morphology set to the correlation_data_avg.txt file

Minor New Features:

  • Added the ability to extend the correlation function calculation out to the second correlation maximum
  • Added characterization of domain anisotropy as a standard metric
  • Improved the analysis file to include a header that specifies which version of the software was used to generate the morphology set
  • Improved the analysis file output to also specify which morphology has the median domain size and the median tortuosity

Performance Improvements:

  • Increased the speed of the phase separation process by increasing the speed of the energy calculation during the Ising swapping stage
  • Improved the speed of the tortuosity calculation by increasing the the speed of the pathfinding and path distance calculations
  • Added the ability to enable a reduced memory usage tortuosity calculation algorithm. This algorithm is significantly slower, but it is useful when simulating very large lattices where memory limits are reached.

Bug Fixes:

  • Corrected a major bug with the random number generator used to choose which neighboring site to use for a swapping attempt (This bug caused anisotropic domain growth in the previous versions of Ising_OPV)
  • Improved the correlation function to catch rare cases where the correlation function does not cross the mix fraction value, and in these cases the domain size is set to the position of the first correlation minimum
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