Potential Ti-Al-N

LAMMPS LAMMPS Beginners
1

Dear Doctors
I am study PhD. I want simulation Ti-Al-N using Lammps. But i don’t find potential of that system. Please who do know can share me?
Thanks all

2

Please note that potential parameters are not like pirated movies or software.

The best way to figure out if something exists and suitable for your needs is to search the published literature or the web. That is just how research works, and that is why it is not likely that somebody else will do this work for you.

3

Dear Doctor
Thanks for answering. I want to simulate TiAlN film deposition process. i need to build potental for whole triatomic system or in pairs: Ti-Al, Ti-N and Al-N. As I learned, there is potential meam for 2 pairs of Ti-Al and Ti-N. I have not found the Al-N pair yet. do you have any solution?

4

Keep searching. I am certain there are publications with exactly the potential you are looking for.

5

Dear all
Does anyone have a code to deposit 2 atoms onto another atom like subtract. can you share with me?
Best and regards

6

Please let me remind you of a few pieces of online etiquette and about how research works:

  • when you have a new question, you don’t add it to an existing discussion but start a new topic with a corresponding new subject line, so that people can see if this is a topic they are interested in or have something to add to. by doing what you did, you are significantly reducing your chances for an on-topic response! so it is in your own best interest.
  • can you share with me? is the wrong kind of question. This is not how research works, anyway. You are not likely to have somebody just give you a ready to use input for your specific problem. There are two main reasons for that: 1) it is extremely unlikely that there is somebody doing the exact same kind of study that you do and 2) even if that was the case, people are not likely to give you right away for what they have worked hard to figure it out. As I have (jokingly) commented before, this is not like dealing with pirated software or movies, where there are only a limited number of items that people are interested in and many people searching for it. And the people making it available are not the ones that invested effort (and money) to produce it. A better approach is to first explain what you already have tried, possibly providing the input, and then describe why the outcome of the simulation in that input does not do what you expect.
  • You will benefit massively from providing more detailed and lucid explanations. A phrase like code to deposit 2 atoms onto another atom like subtract makes no sense at all. If people cannot understand what you mean, how can they provide help? Please keep in mind that people do not know what you research is about, what you have already done, why you want to what you are asking for and more. Also, please always first consult with your adviser and your colleagues before posting online. Similarly, there is a lot of information associated with LAMMPS and how you use LAMMPS in the documentation and in the forum/mailing list archives. You cannot easily get around doing the work of searching those.
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7

Dear Doctor
I use potential vashishta. But when i run program error appear: cannot open vashishta potential file AlN.vashishta: No such file or directory (src/potential_file_reader.cpp:59)
Last command: pair_coeff * * AlN.vashishta Al N N N N
Best and Regard

8

I am gonna take a wild guess and assume that LAMMPS cannot open the vashishta potential file ‘AlN.vashishta’ because there are no such file or directory.

Jokes aside, I doubt that you will find help on this forum if you keep ignoring the previous comments that have been made to you:

1 Like