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PRISMS-PF (Version 2.1)
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@stvdwtt stvdwtt released this 21 Aug 15:41
· 390 commits to master since this release
v2.1
393a567

Moderate-level update to v2.0, released in August 2018. The largest changes involve a restructuring of the functions in equations.cc and ICs_and_BCs.cc. Grain remapping was also introduced to permit simulations with hundreds/thousands of grains.

Changes to the example applications:

  • New application: CHAC_performance_test. This app is very similar to 'coupledCahnHilliardAllenCahn', but is 3D and was designed for scaling and performance comparisons to a finite difference code.
  • The grainGrowth app has been overhauled and now uses the grain remapping capabilities (see below). A new grainGrowth_dream3D app was added that reads in a microstructure from dream3D.
  • The singlePrecipitateKKS app has been removed in favor of the MgNd_precipitate_single_Bppp app.
  • Renamed "preferential_nucleationModel" to "nucleationModel_preferential" so that they are next to each other in file listings.
  • The source files in all of the example app directories have been changed to a ".cc" extension instead of ".h" to properly represent their contents.
  • Merged 'allenCahn_pfield' into 'allenCahn', just using a different input file.
  • Merged 'cahnHilliardWithAdaptivity' into 'cahnHilliard', just using a different input file.
  • Added an app for the CHiMaD/PFHub benchmark #3 problem.
  • Added a steady-state Allen-Cahn solver that uses the new nonlinear solver.
  • Changed the naming convention for the terms in the governing equations.

Added functionality:

  • To reflect their generality, the equation type PARABOLIC is now EXPLICIT_TIME_DEPENDENT and the equation type ELLIPTIC is now TIME_INDEPENDENT.
  • A new equation type AUXILIARY has been introduced to handle time independent equations that don't require a (non)linear solve (e.g. the chemical potential for the split form of the Cahn-Hilliard equation).
  • The core solver loop has been overhauled. AUXILIARY and TIME_INDEPENDENT equations are now updated before the EXPLICIT_TIME_DEPENDENT equations so that the EXPLICIT_TIME_DEPENDENT equations have up-to-date values for the other fields.
  • A nonlinear solver has been added. It uses Newton's method to solve for each equation and Picard's method to handle coupling between equations.
  • A grain remapping algorithm has been added so that arbitrary numbers of grains can be stored on a few order parameters. When grains are close to coming into contact, one is reassigned to a new order parameter. The initial grain structure can be read in from dream3D (or any voxelated dataset of grain ids).
  • The user can now specify a parameters file other than 'parameters.in'. The syntax is: './main -i other_parameters_file.in'

Bug fixes:

  • A typo has been fixed in the expression for 'faccV' in the precipitateEvolution app

Other changes:

  • The pdf user guide has been removed as well as the Doxygen files. A Doxygen-based user guide is now hosted on a separate site to provide a more interactive experience. The repo for the new user guide can be found here.
  • Changed how the equation dependencies are input, making them more specific and more intuitive.
  • Previously, there were separate initial condition functions and non-uniform Dirichlet BC functions for scalar fields and vector fields. These have been merged so that there is one initial condition function and one non-uniform Dirichlet BC function. These functions are now part of customPDE and have direct access to the model parameters declared in customPDE.h.
  • Renamed the functions in the equation file, removing references to 'residuals'. Instead, everything is referred to as a term in the governing equation.
  • The source file names in the app folders have been changed to .cc extensions instead of .h extensions.
  • The deal.II headers in the core library have been pruned so there aren't unneeded ones in many of the classes.

Known issues:

  • The grain remapping algorithm does not currently obey periodic BCs. This will be patched soon.
  • The CHiMaD benchmark problem 6b fails when run with more than 5 MPI processes. This might be due to the size of the coarse mesh (being too small). We're looking into it. There is no problem for benchmark 6a, which is identical except for the domain shape.
  • (Inherited from v2.0) PFields only work for scalar fields and only work when the variable with index zero is a scalar field.
  • (Inherited from v2.0) Postprocessing only works for scalar fields and only when the variable with index zero is a scalar field.
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