Is it possible to compress or do tensile test to the simulation box and output strain and stress value?

[Wusheng Zhang]

Dear HOOMD BLUE users,

I intend to do a tensile test to the simulation box similar to what is shown in the video attached. A little different thing is that, in a real tensile test, the volume of the sample will not change. So my questions are:

1. How can I implement deformation to the simulation box along with a certain direction in HOOMD?

2. For keeping the volume as a constant, what comes in my mind is that drag in the z direction and compress in the x and the y direction, so is it possible to realize this kind of multi-deformation in HOOMD?

During tensile test, I hope to record the strain and stress in real time. Is it possible to output these data in HOOMD?

Thank you very much.

Best regards,

Wusheng

[Michael Howard]

From the documentation:

http://hoomd-blue.readthedocs.io/en/stable/module-hoomd-update.html#hoomd.update.box_resize

http://hoomd-blue.readthedocs.io/en/stable/module-hoomd-analyze.html#hoomd.analyze.log

Regards,

Mike

[Wusheng Zhang]

Hi Mike,

Thank you very much!

Best regards,

Wusheng

在 2017年8月29日星期二 UTC-4下午1:01:43，Michael Howard写道：