Hi, On Sat, Feb 22, 2014 at 6:17 AM, Derek Gaston <[email protected]> wrote:
> The phase-field system developed by Michael Tonks (copied on this email) > will be part of the open-source release of MOOSE (hopefully by the end of > next week). Feel free to contact either myself or Mike for more > information while we all wait... > > Thanks a lot for the offer. I checked out the videos of MOOSE and indeed it seems to be a great tool. However, in my group we prefer to develop our own home-made simulation tools (except for tools like PETSc of course). I know that using simulation tools developed by others saves a lot of work, but by experience I can say that when comes the time to implement new things (new mechanisms, new conditions), which were not planned, it becomes difficult and time consuming since you must spend a lot of time to adapt the tool. Therefore, we adopted the policy to develop our own tools. Moreover, I already dedicated some time to develop a programming interface (ie collections of C++ classes) for our purpose, which is the diffusion and interaction of many species (thousands). Nevertheless, I am reading the paper about the phase-field model behind MOOSE. Maybe I will use this approach for our problems, still don't know. I don't have experience with phase-field models. BTW, thanks Jed for the link. I could download the paper. Christophe > In the meantime you can also check out some of the youtube videos of MOOSE > in action (the phase-field system is in use in these videos in the > microstructure models): > > http://www.youtube.com/watch?v=0oz8FD3H52s > http://www.youtube.com/watch?v=4xTfQxpGAI4 > http://www.youtube.com/watch?v=V-2VfET8SNw > > Derek > > > > On Fri, Feb 21, 2014 at 5:33 PM, Jed Brown <[email protected]> wrote: > >> Christophe Ortiz <[email protected]> writes: >> >> > Hi all, >> > >> > Recently I have implemented a 1D problem of coupled diffusion equations >> > using PETSc. I did it using finite differences for diffusion terms and >> > F(t,U,U_t) = 0. It works pretty well with ARKIMEX3. I get a nice >> timestep >> > variation and all boundary conditions work well. >> > >> > Now I would like to move to 3D problems to simulate the diffusion and >> > interaction of species in a "real material". By real material I mean a >> > material made of subregions with internal surfaces where species could >> > recombine (means Dirichlet). These subregions are distributed in a >> > complicated manner, ie not cartesian. A good picture of this would be a >> > polycrystal (see attachment to get an idea). Each crystal has a >> different >> > orientation and the boundary between two small crystals forms an >> internal >> > surface. >> > >> > I have several questions on how to implement this: >> > >> > 1) Since, the problem will not be solved in a cartesian mesh, should I >> use >> > unstructured meshes ? If so, how can this unstructured mesh can be >> > generated ( I have no experience with unstructured meshes. I always >> work in >> > 1D). >> >> Are you intending to mesh the boundaries of the crystals? Will you be >> dynamically remeshing? (That is very complicated and expensive in 3D.) >> What formulation will you be using for grain boundary evolution? >> >> I think you should check out phase field models, such as the publication >> below. Perhaps check out the paper below. The framework (MOOSE) used >> for this publication should be released open source on github next week >> (check https://github.com/idaholab/). I don't know if Marmot, the >> phase-field component, will be open source any time soon, but they are >> typically happy to collaborate. MOOSE uses PETSc for solvers, but >> provides a higher level interface. >> >> @article{tonks2012object, >> title={An object-oriented finite element framework for multiphysics >> phase field simulations}, >> author={Tonks, M.R. and Gaston, D. and Millett, P.C. and Andrs, D. and >> Talbot, P.}, >> journal={Computational Materials Science}, >> volume={51}, >> number={1}, >> pages={20--29}, >> year={2012}, >> publisher={Elsevier} >> } >> >> >
