Microstructure and its relaxation in Fe-B amorphous system simulated by molecular dynamics

Microstructure and its relaxation in Fe-B amorphous system simulated by molecular dynamics

A computer simulation by molecular dynamics for the system Fe sub 85 B sub 15 is presented, to explore the dynamics of structural transformation from liquid to amorphous state by a rapid quench. The truncated Morse potential is used to simulate the atomic interactions. Possible models of the actual...

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Veröffentlicht in:Journal of non-crystalline solids 1993-06, Vol.159 (1-2), p.80-87
Hauptverfasser: Stepanyuk, V S, Szasz, A, Katsnelson, A A, Trushin, O S, Muller, H
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container_issue 1-2
container_start_page 80
container_title Journal of non-crystalline solids
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creator Stepanyuk, V S
Szasz, A
Katsnelson, A A
Trushin, O S
Muller, H
description A computer simulation by molecular dynamics for the system Fe sub 85 B sub 15 is presented, to explore the dynamics of structural transformation from liquid to amorphous state by a rapid quench. The truncated Morse potential is used to simulate the atomic interactions. Possible models of the actual amorphous structures are suggested based on the statistical analysis of Voronoi polyhedra. The obtained metastable states depend on the methods of sample preparation.
doi_str_mv 10.1016/0022-3093(93)91284-A
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title Microstructure and its relaxation in Fe-B amorphous system simulated by molecular dynamics
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