Structural modeling of liquid and amorphous Al91Tb9 by Monte Carlo simulations

Date

2014-12-01

Author

Övün, Mert
Kalay, Yunus Eren

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Evolution of the chemical and topological inhomogeneities within the Al91Tb9 amorphous system from liquid to glass was investigated using Monte Carlo (MC) simulations. The interatomic potential for Al-Tb system was developed and three-dimensional atomic configurations of liquid and amorphous structures were modeled. The simulations coupled with Voronoi Tessellation and Warren-Cowley chemical short-range order analysis revealed a high degree of chemical inhomogeneity at nanoscale composed of pure Al clusters which were found to be increasing in number and size with decreasing temperature in the supercooled liquid region. These chemically isolated prenucleation clusters are thought to be the origin of extreme number.

Subject Keywords

Monte-Carlo simulations, Medium-range ordering, Phase separation, Chemical and topological configuration, Al-RE metallic glass

URI

https://hdl.handle.net/11511/35839

Journal

JOURNAL OF NON-CRYSTALLINE SOLIDS

DOI

https://doi.org/10.1016/j.jnoncrysol.2014.08.037

Collections

Department of Metallurgical and Materials Engineering, Article

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Citation Formats

M. Övün and Y. E. Kalay, “Structural modeling of liquid and amorphous Al91Tb9 by Monte Carlo simulations,” JOURNAL OF NON-CRYSTALLINE SOLIDS, pp. 27–32, 2014, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/35839.