Atomistic Simulations of the Crystalline-to-Amorphous Transformation of γ-Al2O3 Nanoparticles : Delicate Interplay between Lattice Distortions, Stresses, and Space Charges

The size-dependent phase stability of γ-Al2O3 was studied by large-scale molecular dynamics simulations over a wide temperature range from 300 to 900 K. For the γ-Al2O3 crystal, a bulk transformation to α-Al2O3 by an FCC-to-HCP transition of the O sublattice is still kinetically hindered at 900 K. H...

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Publié dans:	Langmuir : the ACS journal of surfaces and colloids. - 1985. - 39(2023), 18 vom: 09. Mai, Seite 6301-6315
Auteur principal:	Gramatte, Simon (Auteur)
Autres auteurs:	Jeurgens, Lars P H, Politano, Olivier, Simon Greminger, Jose Antonio, Baras, Florence, Xomalis, Angelos, Turlo, Vladyslav
Format:	Article en ligne
Langue:	English
Publié:	2023
Accès à la collection:	Langmuir : the ACS journal of surfaces and colloids
Sujets:	Journal Article