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Messages - June

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1
Support Forum / Re: the unit of dislocation length in DXA analysis
« on: April 23, 2019, 04:38:51 AM »
OK. Thank you!

Best regards,
June

2
Support Forum / the unit of dislocation length in DXA analysis
« on: March 22, 2019, 02:32:50 PM »
Dear Ovito users,

I am not clear about the unit of dislocation length in DXA analysis. Is it in angstroms?

Thank you very much.

June :)

3
Support Forum / Re: atomic strain calculation during the shear process
« on: December 20, 2018, 02:19:11 AM »
Dear Alex,

OK, I will try these methods. Thank you for your help.

Best wishes
June

4
Support Forum / atomic strain calculation during the shear process
« on: December 19, 2018, 02:26:38 PM »
Dear Ovito users,

I am running an interface shear simulation and want to calculate the atomic strain at different frames during the shear process. Since after relaxation the interface reconstructs,  the initial atomic structure before relaxation is taken as a reference. The simulation box is periodic in directions parallel to the interface and I outputted unwrapped atomic positions in lammps.

I think the shear displacements should not contribute to atomic strain calculation and I only care about the relative displacements between atoms. Then the reference configuration need to move rigidly as interface shears. Could Ovito set different reference configurations for each frame? Or is there a better method to calculate the atomic strain during the shear process?

I attatched one output file for your reference.

Thank you in advance.

Sincerely,
June

5
Support Forum / Re: cannot construct mech in dislocation analysis
« on: February 05, 2018, 07:17:35 AM »
Hi, Alexander,

The data file is too large to be uploaded to the support forum. I send you an email (stukowski@mm.tu-darmstadt.de). Please check.

Thank you!

Best wishes,
Ann

6
Support Forum / Re: cannot construct mech in dislocation analysis
« on: January 27, 2018, 04:07:25 AM »
Dear Alexander,

Sorry for late reply. Actually, my simulation is periodic in x, y, and z directions, with two vacuum regions in z direction. Perhaps that's not clearly shown by last XYZ file. I uploaded my setup file as you said. This time I tried to export crystal analysis file, but at the 4th frame received this error message: Dataset to be exported contains no dislocation lines nor a surface mesh. Cannot write a CA file.

I didn't find obvious difference between this frame and its former or latter frame, which can be exported successfully.

Thank you!

Best wishes,
Ann

7
Support Forum / Re: cannot construct mech in dislocation analysis
« on: December 28, 2017, 02:13:26 AM »
Dear Alexander,

Thank you for your reply. One frame is attached, perhaps you can figure out the problem.

Thank you for your help.

Best wishes,
Ann

8
Support Forum / cannot construct mech in dislocation analysis
« on: December 27, 2017, 10:03:39 AM »
Hi, ovito users:

I want to export dislocation analysis file but at some frames this error appears: cannot construct mesh for this input dataset. Adjacent cell face not found.

How can I modify the setting to output file successfully, or can I just skip these frames?

Thank you so much.

Best wishes,
Ann

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