Evidence for percolation diffusion of cations and reordering in disordered pyrochlore from accelerated molecular dynamics
Diffusion plays an important role in sintering, damage tolerance and transport. Here authors perform classical and accelerated molecular dynamics simulations of vacancy-mediated cation diffusion in Gd2Ti2O7 pyrochlore and report non-monotonic evolution of cation diffusivity.
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2017-09-01
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| Series: | Nature Communications |
| Online Access: | https://doi.org/10.1038/s41467-017-00708-z |