LAMMPS for beginners - Sandia National Laboratories
LAMMPS for beginners - Sandia National Laboratories
LAMMPS for beginners - Sandia National Laboratories
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MD model <strong>for</strong> radiation damage simulations► Gadolinium pyrochlore waste <strong>for</strong>m (Gd 2 Zr 2 O 7 )► Natural pyrochlores are stable over geologic times and shownto be resistant to irradiation (Lumpkin, Elements 2006).► Recent simulations (without electronic effects) exist <strong>for</strong>comparison (Todorov et al, J. Phys. Condens. Matter 2006).10.8 Å 162 Å1 unit cell, 88 atoms 15 x 15 x 15 supercell, 297k atoms(only Gd atoms shown)
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