LAMMPS Nanowire Deformation
This page is under construction!!!
This is a tutorial to deform a nanowire. For this tutorial, We have a Magnesium single crystal nanowire which is deformed after Symmetry Calculation, Energy and Pressure Equilibration.
Author(s): Suman Kandel, Mark A. Tschopp
Corresponding Author: Mark Tschopp
The following input script shows how to generate a periodic nanowire and then deform it at a prescribed strain rate. The dump files can then be easily viewed and postprocessed for results.
LAMMPS Input file
# LAMMPS Input File for Nanowires # Suman Kandel, Mark Tschopp print "All done"
Here is an example logfile that is obtained after running this script.
LAMMPS (13 Jul 2010)
Images and movies
S. Kandel and M.A. Tschopp would like to acknowledge funding provided under DOE.
The initial methodology was used in the following papers: Insert references here...