Evidence for percolation diffusion of cations and reordering in disordered pyrochlore from accelerated molecular dynamics

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.

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Autores principales: Romain Perriot, Blas P. Uberuaga, Richard J. Zamora, Danny Perez, Arthur F. Voter
Formato: article
Lenguaje:EN
Publicado: Nature Portfolio 2017
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Science
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Acceso en línea:https://doaj.org/article/c55c15f5bf7445c3842018087b432bf3
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