How to determine the average grain size in atomsk?

[shujing1111]

Dear Dr. Pierre,

I used Atomsk to create a polycrystal with the box size of 200x200x200 (A) consisting of 120 grains. So, how can I determine the average grain size? Thank you very much for your time.

Shu

[shujing1111]

And can the difference in grain size be controlled? Thanks.

[pierrehirel]

Hello,

Atomsk writes the size of each grain in a separate file (*id-size.txt). You can use this information to compute the average grain size.

For your second question, the answer is no, there is no built-in function to control the average grain size or the size dispersion. If you are using a parameter like "random 120", then Atomsk will generate a truly random distribution. If you wish to control the grain size, you have to use the keyword "node", and place the nodes according to the distribution that you want.

Best regards

[shujing1111]

Thank you very much for your reply.

Shujing

[shujing1111]

Hi Dr. Pierre, Does Atomsk output the grain boundary angles in polycrystal for the random case?

Shu

[pierrehirel]

Hello,

When using "random", Atomsk writes a file named "*_param.txt" with the nodes positions and the random angles that were generated. You can use this information to determine the disorientation between grains.

Best regards