Modification of chemical potential for elements at GB

solid-solid phase transformations, influence of stresses and strains
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CharMIC
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Modification of chemical potential for elements at GB

Post by CharMIC » Sat Mar 14, 2020 4:23 pm

Hi,

Is there a way to modify chemical potential of an element at a grain boundary in MICRESS?

BR
Chamara

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

Re: Modification of chemical potential for elements at GB

Post by Bernd » Mon Mar 16, 2020 10:06 pm

Hi Chamara,

No, this currently is not possible. In principle, it could be implemented in future as a contribution to the gradient of the diffusion solver. However, there are two problems:

1.) It would be necessary to have either a physical model, or the user would have to specify the energy difference for each phase pair and element.

2.) Because the interface thickness in phase field simulations is different from the physical interface thickness, either the interface composition or the amount of adsorbed solute can be correct, not both...

What is your feeling about that?

Bernd

CharMIC
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Re: Modification of chemical potential for elements at GB

Post by CharMIC » Tue Mar 17, 2020 8:16 am

Hi Bernd,

found this article regarding such work using PF https://www-sciencedirect-com.ezproxy.s ... 5620300240

Bernd
Posts: 1222
Joined: Mon Jun 23, 2008 9:29 pm

Re: Modification of chemical potential for elements at GB

Post by Bernd » Tue Mar 17, 2020 7:16 pm

Hi Chamara,

thanks a lot for the link - however there seems to be a login required...

Bernd

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