Al-Cu Symmetric/Asymmetric Tilt Grain Boundary Dataset
Tschopp, Mark A.
Coleman, Shawn P.
McDowell, David L.
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Symmetric and asymmetric tilt grain boundaries in Cu and Al were generated using molecular statics energy minimization in LAMMPS with in-plane grain boundary translations and an atom deletion criterion. The following dataset contains atomic coordinates in LAMMPS format for minimum energy grain boundaries in three-dimensional periodic simulation cells, facilitating their use in future simulations.
This item URIhttp://hdl.handle.net/11256/358
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