Thursday, April 21, 2011

How to visualize 3D results of phase field simulation?



Following is a matlab script I used to visualize 3D result of phase field simulation. If someone has better choice, please let me know.

##########################
figure
data = timekk;
data = smooth3(data,'box',5);
isoval = 0.0;
h = patch(isosurface(data,isoval),...
'FaceColor','blue',...
'EdgeColor','none',...
'AmbientStrength',.2,...
'SpecularStrength',.7,...
'DiffuseStrength',.4);
isonormals(data,h)
patch(isocaps(data,isoval),...
'FaceColor','interp',...
'EdgeColor','none')
colormap winter
colorbar
daspect([1,1,1])
axis tight
view(3)
camlight right
camlight left
set(gcf,'Renderer','zbuffer');
lighting phong
saveas(gcf,f3d,'jpg')
#############################



Precipitates will dissolve under compress loading?

I do phase field simulation of multiparticle precipitates rafting under a uniaxial a stress and find that precipitates will dissolve under compress stress, but will show rafting behavior under tensile stress. This is interesting. I don't know this is possible in reality or just a mistake of my code. Some one can give me some hints? I should discuss this with others and do a literature search. If this phenomena is true, I could test the critical grain size and critical stress with my code maybe.

Wednesday, April 20, 2011

book: phase-field methods in materials science and engineering

Got this book today. Should read it ASAP and try the sample codes. The MPI implementation in the sample is a good example. I will revise my own code into parallelization accordingly.

Phase field simulation of phase change materials. How to perform?

Phase change materials (PCMs) can be categorized into nucleation-dominated and growth-dominated materials. For nucleation-dominated materials, many nuclei are formed in a unit volume; these nuclei grow relatively slowly. Critical nuclei formation also occurs continuously during the growth process so that crystals of different sizes are formed (31). For growth-dominated materials, very few critical nuclei are formed after an often relatively long incubation time, but then crystallization occurs by rapid growth. For these materials, the crystals have similar sizes (31).

Depending on the temperature, sometimes the same materials can behave as either nucleation
dominated or growth dominated.

I wander if there is way to simulate this phenomena with phase field method. Keep this for another day.

Wednesday, April 13, 2011

Codes for phase field simulation, updated at 04/05/11

1. simple code

http://sites.google.com/site/gururajanmp/phase-field

lCH-muSE

Phase field modelling of microstructural evolution using the Cahn-Hilliard equation: A report to accompany CH-muSE

lCA-muSE
Phase field modelling of microstructural evolution using the Allen-Cahn equation
Comments: Simple but with a detailed description file, suitable for the beginners. FFTW is used so that it could be easy to parallelize
2. lFiPy

http://www.ctcms.nist.gov/py/

lDaniel WheelerJonathan E. GuyerJames A. Warren
lPython language
lCurrently implemented models include phase eld treatments of polycrystalline, dendritic, and electrochemical phase transformations as well as a level set treatment of the electrodeposition process
Comments: Need python. Very good for checking your ideas with several lines of coding. Afraid not suitable for large system and 3D, for the limitation of computational efficiency of the python.

3. lExamples in the book:
Provatas, Nikolas / Elder, Ken
Phase-Field Methods in Materials Science and Engineering
This comprehensive and self-contained source discusses the topic in a fundamental way, such that readers can carry out their own code developments. Please find additional codes on
www.wiley-vch.de/publish/en/books/bySubjectEE00/ISBN3-527-40747-2

Comments: In Fortran 90, modulated. Easy to extend. Including phase field crystal method. Very good to begin with

4. lDigital Material
lmultiscale materials simulation
lPhase Fields
The phase field code defines field types and operators on them, currently with applications using fourier transforms (FFTW) and explicit time-stepping. Projects using this code include surface deposition and simulation of crack growth.

Comments: No experience yet

5. lRheoPlast:
Marrying Phase Field and Fluid-Structure Interactions
lRheoPlast is a code framework for phase field solidification modeling with fluid flow and elastic solid behavior using a fluid-structure interactions formulation. It is designed to be modular and flexible, such that one can select on the command line between various phase field energy functions, transport coupling terms, initial and boundary conditions, in addition to the various parameters of the model.
Comments: Not developed.

Monday, April 11, 2011

References for phase field method

This post is only accumulating the book/book chapter or review papers. The one which has been read by mine will be added a comment.

1. Boettinger, W.J., et al., Phase-field simulation of solidification. Annual Review of Materials Research, 2002. 32: p. 163-194.
2. Chen, L.Q., Phase-field models for microstructure evolution. Annual Review of Materials Research, 2002. 32: p. 113-140.
3. Nestler, B., Diffuse interface model for microstructure evolution. Advances in Solid State Physics 42, 2002. 42: p. 207-218
521.
4. Granasy, L., T. Pusztai, and J.A. Warren, Modelling polycrystalline solidification using phase field theory. Journal of Physics-Condensed Matter, 2004. 16(41): p. R1205-R1235.
5. Hecht, U., et al., Multiphase solidification in multicomponent alloys. Materials Science & Engineering R-Reports, 2004. 46(1-2): p. 1-49.
6. Lewis, D., et al., Phase-field models for eutectic solidification. Jom, 2004. 56(4): p. 34-39.
7. Emmerich, H., Advances of and by phase-field modelling in condensed-matter physics. Advances in Physics, 2008. 57(1): p. 1-87.
8. Moelans, N., B. Blanpain, and P. Wollants, An introduction to phase-field modeling of microstructure evolution. Calphad-Computer Coupling of Phase Diagrams and Thermochemistry, 2008. 32(2): p. 268-294.
9. Singer-Loginova, I. and H.M. Singer, The phase field technique for modeling multiphase materials. Reports on Progress in Physics, 2008. 71(10): p. -.

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This blog is for phase field simulation. I will accumulate what I learned and studied here. Any comments are welcome!

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