Topics

1

General Questions and Answers / can I do tensile testing of a unit cell ?

« on: June 22, 2017, 21:30 »

I am willing to do a tensile and compressive test for a unit cell and plot stress vs strain graphs. So is it possible to pull the unit cell at ends by applying force, and plot the stress and strain graphs.

2

Scripts, Tutorials and Applications / can we calculate thermal conductivity for unit cells ?

« on: May 11, 2017, 08:39 »

I want thermal conductivity for al2o3, can we do it in VNL or is it possible at all, but i have seen it for carbon nano tubes, an single atoms. It is just a doubt, if any one knows any information plz let me know.

3

Installation and License Questions / unable to convert a .cif file to .data file ?

« on: February 2, 2017, 16:46 »

I am trying to convert a .cif file to LAMMPS .data file. I seen that it is possible to convert in VNL but while exporting I am unable to see .data file in the options. If any one can convert the attached files plz share them to me or else help me on how to convert them in to .data file. I am attaching the screen shot and the .cif file.

Unable to attach a file because of space restriction

4

General Questions and Answers / how to convert a unit cell in LAMMPS ?

« on: January 24, 2017, 10:48 »

i have seen in some videos of VNL they are able to export it to LAMMPS (DATA format) just by exporting . But i am unable to export it in on my system. please let me know how to do it

5

General Questions and Answers / how to insert a nano tube in to a amorphous cell

« on: January 16, 2017, 19:19 »

i want to insert a nano tube in to an amorphous cell like the image displayed is it possible in VNL to do it. If not what options do i have to achieve this task.
please see the attachment.
thank you