Regular polycrystalline modeling

Dear LAMMPS fans,
I want to build a regular polycrystal with regular hexagons.But I have never been able to model a polycrystalline atom with six faces containing hexagonal grains.Refer to the regular polycrystalline atom model shown below:


Have you looked at the Atomsk software?

1 Like

I tried atomsk to build regular polycrystals with regular hexagon.The polycrystalline atomic model established is as follows:

The script for establishing the polycrystalline model is as follows: (9.6 MB)
I hope you can give me your opinion.
Xue bao shuai

I refer to the modeling process of this article, but I also have some doubts about this.Attached is the article.
2020nickel1-s2.0-S0927025620304262-main.pdf (9.0 MB)
Xue bao shuai

This all is about your research and not about LAMMPS and thus off-topic here.
It is something that you need to discuss with your adviser. This forum is no substitute for that.

Sorry, I am not an input verification service.

@IrfanAbro You just commited 3 “cardinal sins” in the use of online discussion forums.

  1. You posted a new question to a discussion that has practically no relevance to your question. This is called “hijacking a thread” and considered a very bad habit. We want to keep discussions organized so that each is on a specific topic and there are no distractions. For you it would be just the same effort to start a new discussion and that would have the benefit of a suitable subject line, so that people when they search the archives more easily find the discussion in case they have a similar question or request.

  2. You posted an off-topic request. This is a forum category about LAMMPS, not Atomsk. That a discussion happens to mention Atomsk, is no justification for adding an off-topic post. MatSci has a few generic categories that you may try, but your best bet should be a forum or mailing list that is specifically dedicated to Atomsk. If necessary, you can contact the Atomsk developers.

  3. Asked a very generic question without explaining where you failed. Without people could only repeat bits and pieces that are already in the existing documentation. The more specific your explanations, the better your chances to get a competent and helpful answer. However, you post basically say “I don’t know anything, tell me everything”. That is a lot to ask. That you have difficulties understanding how to use Atomsk is particularly hard to believe since it has a very detailed and well written documentation with lots of examples and many tutorials. This suggests that either you are having problems in understanding some fundamental basics about the topic so that you would like have trouble understanding any explanation given, or you are a very lazy person and then you are making your own life difficult for now good reason, because people that volunteer their time by providing responses in forums very much dislike it when people have not done their due diligence. It is much more emotionally rewarding (since there is no money in it this is the only reward available) to help somebody that demonstrates that he or she has exhausted all available resources for self-study before posting.

So in the future, please be mindful of forum etiquette and increase your chances to get real help.