Description
DL_POLY molecular dynamics simulation files from paper in Molecular Simulation on "Multiple cascade radiation damage simulations of pyrochlore" . Input and output files are for G2Ti2O7, Gd2Zr2O7 and the solid solution (25% Ti, 50% Ti, 75% Ti)
Date made available | 4 Sept 2020 |
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Publisher | University of Bristol |
Keywords
- Radiation Damage
- Molecular dynamics simulations