2023
DOI: 10.1021/acs.langmuir.2c03292
|View full text |Cite
|
Sign up to set email alerts
|

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

Abstract: The size-dependent phase stability of γ-Al 2 O 3 was studied by largescale molecular dynamics simulations over a wide temperature range from 300 to 900 K. For the γ-Al 2 O 3 crystal, a bulk transformation to α-Al 2 O 3 by an FCC-to-HCP transition of the O sublattice is still kinetically hindered at 900 K. However, local distortions of the FCC O-sublattice by the formation of quasi-octahedral Al local coordination spheres become thermally activated, as driven by the partial covalency of the Al−O bond. On the co… Show more

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...

Citation Types

0
0
0

Year Published

2023
2023
2024
2024

Publication Types

Select...
3

Relationship

1
2

Authors

Journals

citations
Cited by 3 publications
references
References 128 publications
0
0
0
Order By: Relevance