Potential for Carbon-Nitrogen interaction.

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1

Dear All
I am trying to observe the mechanical properties of a material consist of
carbon and nitrogen material.

*I have question which regarding potential is better to measure the
stress-strain for the carbon-nitrogen and carbon-carbon interaction.*

Thank you very much.

​
Best Regards
*​Md Imrul Reza Shishir*
​PhD
Student
*​UNC Charlotte*

2

Hi,
REBO or ReaxFF are good for C-C and C-N.
Pascal

3

What kind of C-N and C-C systems do you have? Polymeric or inorganic?

Ray