Hydrogen-induced structural change in Ni90Al10 metallic glass
- Hydrogen-induced structural change in Ni90Al10 metallic glass
- 박경원; Shibutani, yoji; 에릭플러리
- Amorphous membrane; Hydrogen; Structural change; Molecular dynamics simulation; Voronoi analysis
- Issue Date
- Journal of alloys and compounds
- VOL 509S, S456-S459
- Ni90Al10 amorphous membranes were prepared by means of molecular dynamics (MD) simulation technique
with the aim of investigating the structural evolution induced by hydrogen with respect to
hydrogen concentration. The short-range ordered (SRO) structures of the as-cast model sample and
the structural change by hydrogen charging were analyzed using Voronoi tessellation method. This
study indicates that prism and prism-like structures with low coordination number are generated, while
intrinsically stable SRO structures in the amorphous membrane annihilate upon hydrogen charging. We
discussed the relationship between these local atomic changes and the structural stability which was
evaluated from the potential energy change point of view.
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