LAMMPS Nanowire Deformation

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(Abstract)
(Abstract)
Line 4: Line 4:
  
 
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.  
 
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, [http://www.hpc.msstate.edu/directory/information.php?eid=1967 Mark A. Tschopp]
 
Author(s): Suman Kandel, [http://www.hpc.msstate.edu/directory/information.php?eid=1967 Mark A. Tschopp]
  

Revision as of 15:54, 17 November 2011

Contents

Abstract

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

Methodology

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" 

LAMMPS Logfile

Here is an example logfile that is obtained after running this script.


LAMMPS (13 Jul 2010)

Images and movies

Acknowledgments

S. Kandel and M.A. Tschopp would like to acknowledge funding provided under DOE.

References

The initial methodology was used in the following papers: Insert references here...

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