Simulating multiple precipitate types

[Hari Haran]

Hello, 

Are there apps that are created which are suitable for simulation of multiple precipitate types. In my case, I want to simulate gamma' and gamma" which has different misfit strains. 

Thanks, 
Hari 

[David Montiel]

Hello, Hari

We have a couple of apps that deal with precipitates:

precipitateEvolution (in 2D)

and

MgNd_precipitate_single_Bppp (in 3D)

The latter simulates the evolution of a single beta''' precipitate in a Mg-Nd alloy. 

In both of these apps, the precipitates are seeded in predefined locations in the initial conditions. 

There is also the nucleationModel app which simulates nucleation of precipitates throughout the simulation as a function of the local matrix supersaturation. However, in this app the contribution from elastic strain energy is not considered. However, you can combine it with the apps above in order to include this contribution. 

Let me know if you have any questions. We can probably give you more guidance depending what specific scenario you are interested in simulating. 

Best,

David

 

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[Hari Haran]

Hello David, 

I am interested in simulating a scenario like the attached image. I was wondering if the solver can handle 
i) two precipitates with different elastic strain tensor ( gamma prime has cubic and gamma double prime has tetragonal)

ii) Can the apps you mentioned here model inhomogeneous modulus among the two precipitate phases. 

I am primarily interested in characterizing the strain energy for different precipitate configuration during their chemical equilibrium. 

Thanks, 
Hari 

[Hari Haran]

Hello David, 

I want to evaluate strain energy at chemical equilibrium for a coprecipitate scenario as in the attached image. Can the apps you mentioned handle

two precipitate classes having different misfit strains and elastic modulus ?

Thanks, 
Hari 

On Tuesday, 29 July 2025 at 11:07:27 UTC-5 dmontiel wrote:

[dmontiel]

Hello, Hari

The apps that I mention do not consider different precipitate classes, but you can represent the different types by using a different order parameter for each: e.g., one for gamma' and another for gamma''. 

For example, in the linked paper by DeWitt et al. below, different order parameters are employed to represent different variants of the same precipitate type (beta'''), but the model is general enough to represent different types of precipitates instead of different variants. You just need to be careful in representing the correct stiffness tensor, stress-free transformation strain and gradient energy coefficient for each type. 

https://doi.org/10.1016/j.actamat.2017.06.053

I hope this is clear, but let me know if you have any questions. 

Best,

David