Edits to nucleation benchmark as proposed by Mancias et al 2022

[joseam2]

Motivation

These edits to the nucleation benchmark problem stem from the new journal publication and presentation given at CHIMAD XIV in October of 2022 which can both be accessed below:

Paper:

https://doi.org/10.1007/s40192-022-00284-1 Mancias, J., Attari, V., Arróyave, R. et al. On the Effect of Nucleation Undercooling on Phase Transformation Kinetics. Integr Mater Manuf Innov (2022).

Presentation:

https://speakerdeck.com/joseam2/potential-edits-to-the-nucleation-benchmark

Github Repository

Contains code and data from the paper https://github.com/joseam2/PF_Nucleation_Benchmark_Julia

Summary of Edits

The edits included are briefly explained below:

• Use periodic boundary conditions for parts 2 and 3
• Change critical radius ( $r ^ $ ) in part 3 to $r ^ = 1.0$
• Calculate the Avrami slope using a fitting range in the y-axis ( $\log[-\log(1-Y)]$ ) in parts 2 and 3, the range $-2 < \log[-\log(1-Y)] < 0$
• Increase the amount of simulations to increase statistical accuracy in parts 2 and 3 from $5$ to $10$.

The edits in the file caused by the machine-specific python code are not necessary to be accepted (e.g. execution_count, image.png data, metadata). Therefore, all edits following line 1000 in the jupyter notebook are not necessary.

[review-notebook-app[bot]]

Check out this pull request on 

See visual diffs & provide feedback on Jupyter Notebooks.

---

Powered by ReviewNB

[tkphd]

Hi @joseam2, thank you for the contribution! Looking very much forward to seeing this deployed.

For readability, can you visit the GitHub-Flavored Markdown docs and edit the PR description so it renders more properly? Specifically, please insert a space after each hyphen intended as a bullet/list item, and wrap math expressions in $ so they render as beautifully as possible. Thanks!

[joseam2]

I have edited the PR description above so that it renders better! Sorry about that.

[joseam2]

That is a great point about the $P$ nomenclature, thank you. I have accepted all of your requested changes in github.

[wd15]

@tkphd, @joseam2

Link to the notebook rendered as HTML

[joseam2]

@wd15 @tkphd Damien pointed out to me that there were issues in the Submission Guidelines section which reflected the original value of 5 simulations. Those values have been replaced with 10 simulations in each instance in that section. Sorry about that, my latest commit was made to rectify this.