A Modified Embedded Atom Method Potential for the Titanium-Oxygen System

Abstract

These data files correspond to our publication listed above. The files included here are: 1) LAMMPS and VASP input files describing the structures specified in the article. 2) LAMMPS and VASP output files describing the calculation results and the output structures. 3) A Python script used in this study to perform a brute force search of the parameter space for the Ti-O MEAM potential. Further details are provided in the article, and in the script. 4) The Ti, O and Ti-O potential files in LAMMPS MEAM format