Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Benchmark 2 misattributes concentration gradient energy term #1495

Open
guyer opened this issue Mar 14, 2023 · 5 comments
Open

Benchmark 2 misattributes concentration gradient energy term #1495

guyer opened this issue Mar 14, 2023 · 5 comments

Comments

@guyer
Copy link
Member

guyer commented Mar 14, 2023

As reported by @daubners, the free energy in Benchmark 2 includes a term " $\frac{\kappa_{c}}{2}|\nabla c|^{2}$ " and says it is based on Ref. [ZHU] (and, indirectly, on Ref. [KKS]) and on Ref. [WBM]. None of these sources include a gradient energy term in concentration, although Ref. [WBM] does remark "a more general model might also include contributions due to the gradients of the other thermodynamic variables".

This term isn't "wrong", but it shouldn't be attributed to [ZHU] or [WBM].

Related: after Eq. (7), there is a typo in the coefficients: " $k_c = k_\phi = 3$ " should read " $\kappa_c = \kappa_\phi = 3$. "

Note: these issues carry over from the original benchmark paper.

@wd15
Copy link
Collaborator

wd15 commented Mar 14, 2023

Can I just implement what you've suggested? Would anyone require a discussion about this?

@guyer
Copy link
Member Author

guyer commented Mar 14, 2023

I don't know that it needs discussion; just a question of how to phrase it. Something like

the free energy of the system is based on a more general formulation (including concentration gradient energy) of that presented in Ref. ZHU...

@daubners
Copy link

I guess this would be the correct reference
https://doi.org/10.1103/PhysRevE.47.1893

@guyer
Copy link
Member Author

guyer commented Mar 14, 2023

Agreed

@guyer
Copy link
Member Author

guyer commented Mar 14, 2023

...along with [ZHU] for the multi-phase

wd15 added a commit to wd15/pfhub that referenced this issue Mar 17, 2023
Address usnistgov#1495

Fix some mistaken attributions for the free energy terms in
BM2. These are carry overs from the original benchmark paper.
@wd15 wd15 added the bug label Aug 4, 2023
@wd15 wd15 added this to the April 2024 Meeting milestone Aug 4, 2023
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
Projects
None yet
Development

No branches or pull requests

3 participants