How to creat Amorphous/Glassy Carbon Structure?

LAMMPS LAMMPS Beginners
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1

Hi.
I am fairly new to this. I want to create a glassy carbon structure and then do some modifications to it. But I’m still stuck with the first step. I know that I can’t use the lattice command, and I don’t know whether Arguslab can be of any help. I also need help with the type of ForceField that I should use.

I’d appreciate any kind of help that I can get. Thank you.

2

You could start by searching the forum for “amorphous carbon”. Plenty of discussions about force fields, how to generate the initial guess, and also some input decks ready to be used.
Also, please read the forum guidelines that will help you asking the same question in a much more informative way.

3

Thank you very much for your advice.

4

The primary source for advice on this would be your adviser or tutor. What you are asking about is not really about the LAMMPS software but rather about how to conduct your research. The fact that you want to use LAMMPS does not make this a LAMMPS question. You could do the same research with a number of other MD codes and it doesn’t require any specific feature that is exclusive to LAMMPS.

This would become a LAMMPS question, if you run into problems with individual LAMMPS commands to realize the actual simulation protocol.

5

Thank you for your comment. I don’t have a supervisor and it is self-taught and although I am as beginner as I can be, I still think it is the right place to ask the question.

6

You are wrong. Your opinion is not relevant in this matter, but the consensus of the people that provide responses in this forum. You can find this stated in the forum guidelines under “what you should not expect from this forum”. At best you can try posting in the Science Talk category of MatSci.

And you should find yourself a tutor. Performing meaningful MD simulations is so much more a craft than a science, it is next to impossible to train yourself and not waste a lot of time and produce sub-standard work. You are destined to repeat all the mistakes that people in the field have done. The knowledge about most of them and how to avoid them is in the residual knowledge of groups that are active practitioners in MD simulations and you are not likely to find this in any text book or publication.

7

Thanks for the feedback. I’ll try to post in the Science Talk category later on. I appreciate the advice about finding a tutor and will look into it.