Initial Graphene Structures

Description

Initial graphene platelet structures with embedded dislocation prior to thermalization and shear loading. The data can be processed by using the MD software of your choice to thermalize and then shear the respective structures.

Steps to reproduce

Run the (slighlty adapted) lammps input scripts with the provided molecular strucutres of graphene. Results are mostly provided in the ssc.dat file produced by the script.

Institutions

• Universitat Stuttgart Materialprufungsanstalt

Categories

Licence