Intuitive data and image analysis about the microstructure of the liquid alumina system#

Mai Thi Lan; Nguyen Thi Thanh  Ha; Nguyen Thu Nhan; Nguyen Van Hong

doi:10.15625/2525-2518/19166

Author affiliations

Authors

Mai Thi Lan Faculty of Engineering Physics, Hanoi University of Science and Technology, No. 1, Dai Co Viet Str., Hai Ba Trung Dist., Ha Noi, Viet Nam
Nguyen Thi Thanh Ha Faculty of Engineering Physics, Hanoi University of Science and Technology, No. 1, Dai Co Viet Str., Hai Ba Trung Dist., Ha Noi, Viet Nam
Nguyen Thu Nhan Faculty of Engineering Physics, Hanoi University of Science and Technology, No. 1, Dai Co Viet Str., Hai Ba Trung Dist., Ha Noi, Viet Nam
Nguyen Van Hong Faculty of Engineering Physics, Hanoi University of Science and Technology, No. 1, Dai Co Viet Str., Hai Ba Trung Dist., Ha Noi, Viet Nam

DOI:

https://doi.org/10.15625/2525-2518/19166

Keywords:

Alumina Al2O3, the local environment, MD simulation

Abstract

The models of the Al₂O₃ system in a liquid state over broad ranges of pressure from 0 to 100 GPa are built by molecular dynamics simulation (MDs). This research gives useful knowledge about the microstructural properties of liquid alumina systems through insight 3D visualization. Intuitive data and image analysis methods are applied to clarify the network structure, the local environment of Al and O atoms, and the linkage among the polyhedra in the network structure of the Al₂O₃ system at different pressure. The structural compaction mechanism of Al₂O₃ oxides under high pressure is also discussed in this paper.

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