Phase field model building

Exchange about the physics background, diffuse interface theory, etc..
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shaojielv
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Phase field model building

Post by shaojielv » Thu Mar 17, 2022 4:11 am

Hi, everyone
The high-entropy alloy Fe-Cu-Mn-Ni will form a core-shell structure during the evolution process. The specific process is as follows: first, a copper-rich phase will be generated, and Mn and Ni elements will be enriched into Cu elements. As the evolution progresses, Mn and Ni begin to diffuse to the interface between Cu and the matrix, and finally form a shell-like Mn/Ni element surrounding the Cu element. I want to simulate such a process through MICRESS. I don't know if it can be achieved. If it can be achieved, how can I set the phase and its number, nucleation point, etc.?
Looking forward to your reply.
lv
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2、Phase-Field Simulation of Phase Transformation in Fe-Cu-Mn-Ni Quaternary Alloy(1).pdf
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Bernd
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Joined: Mon Jun 23, 2008 9:29 pm

Re: Phase field model building

Post by Bernd » Thu Mar 17, 2022 10:53 am

Dear shaojielv,

Is your evolution process a solidification? And how many phases are involved?

Bernd

shaojielv
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Re: Phase field model building

Post by shaojielv » Thu Mar 17, 2022 3:35 pm

Dear Bernd,
This is also a solid phase transition, which always contains four elements, Fe-Cu-Mn-Ni, and these four elements are evenly distributed in the matrix. Here, we take iron as the matrix. As the evolution progresses, a rich-Cu phase will be formed at first. Secondly, manganese and nickel will accumulate in rich-Cu phase. Finally, manganese and nickel elements will diffuse into the interface between matrix and rich-Cu phase to form such a shell surrounding the rich-Cu phase. Bernd, I know I'm describing an evolutionary process, and I'm sorry I didn't answer your question directly, because I don't understand how this process is implemented in MICRESS, so I'm also confused, I hope you can give me some suggestions.
Thank you very much.

Bernd
Posts: 1504
Joined: Mon Jun 23, 2008 9:29 pm

Re: Phase field model building

Post by Bernd » Thu Mar 17, 2022 5:03 pm

Dear shaojielv,

At first, thermodynamics should be clear, because this is also the basis for a MICRESS simulation. You should take Thermo-Calc and a suitable database (TCHEA) and do equilibrium calculations around the relevant temperature and composition range. Then you will see which phases need to be taken into account and how a MICRESS simulation could be set up.

Bernd

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