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.

{"references": ["Bringuier, Stefan. (2014, April). Molecular Dynamics & LAMMPS Primer (Version 1.0). Zenodo. http://doi.org/10.5281/zenodo.3890481", "Plimpton, S. Fast parallel algorithms for short-range molecular dynamics. United States. doi:10.2172/10176421.", "Mendelev, M. I. ; Han, S. ; Srolovitz, D. J. ; Ackland, G. J. ; Sun, D. Y. & Asta, M. (2003). Development of new interatomic potentials appropriate for crystalline and liquid iron. Philosophical Magazine 83 (35):3977-3994.", "Foiles, S. M., M. I. Baskes, and Murray S. Daw. \"Embedded-atom-method functions for the fcc metals Cu, Ag, Au, Ni, Pd, Pt, and their alloys.\" Physical review B 33.12 (1986): 7983.", "J. Tersoff Phys. Rev. B 39, 5566(R) , 1989", "J. Phys. Chem. 1990, 94, 26, 8897\u20138909,December 1, 1990 https://doi.org/10.1021/j100389a010", "Lindsay, L., and D. A. Broido. \"Optimized Tersoff and Brenner empirical potential parameters for lattice dynamics and phonon thermal transport in carbon nanotubes and graphene.\" Physical Review B 81.20 (2010): 205441.", "Adams, D. J., and I. R. McDonald. \"Rigid-ion models of the interionic potential in the alkali halides.\" Journal of Physics C: Solid State Physics 7.16 (1974): 2761.", "Lee, June Gunn. Computational materials science: an introduction. CRC press, 2016."]}

These examples are not actively modified and are intended for learning purposes.