LAMMPS Examples for MSE 551 & Workshop



These are the LAMMPS example files associated with the atomistics portion of MSE 551 at the University of Arizona and the "Molecular dynamics and LAMMPS workshop" that was hosted by the Graduate & Professional Student Council at the University of Arizona. The descriptions for the examples are: Example 0 - simulation of melting in 3D using Lennard-Jones potential. Example 1 - potential energy curve of Fe-BCC using EAM-FS potential with parameters from M.I. Mendelev et al. Example 2 - Melting of spherical gold nanoparticle with EAM potential. Example 3 - Sputtering of SiC using 1989 Tersoff potential. Example 4 - Polyethylene simulation using fixed interactions parameterized with Dreiding forcefield. Example 5 - H2O isolated droplet and on graphene using forcefield and Tip4p electrostatics. Example 6 - Thermal conductivity of single layer graphene using L. Lindsay Tersoff-style potential. Example 7 - Crack propagation in SiC (method 1 ). Example 8 - Liquid simulation of NaCl-KCl using Born-Mayer-Huggins + Coulomb potential with parameters from D.J. Adams et al. The examples have all been tested up to LAMMPS 15 May 2015 = stable version, tag = r13475. All examples include the necessary atomic configuration files, run scripts, and interatomic potential parameters. The example files are contained within the compressed tarball.
Date made availableApr 2 2014

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