Park, Kyoung-Won Shibutani, Yoji Fleury, Eric 2024-01-20T17:01:14Z 2024-01-20T17:01:14Z 2021-09-05 2011-06 0925-8388 https://pubs.kist.re.kr/handle/201004/130284 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. (C) 2011 Elsevier B.V. All rights reserved. English ELSEVIER SCIENCE SA ZR AMORPHOUS-ALLOYS PERMEATION PROPERTIES MECHANICAL-PROPERTIES LATTICE-DEFECTS TI MEMBRANE SEPARATION NICKEL Hydrogen-induced structural change in Ni90Al10 metallic glass Article 10.1016/j.jallcom.2011.01.092 1 JOURNAL OF ALLOYS AND COMPOUNDS, v.509, pp.S456 - S459 JOURNAL OF ALLOYS AND COMPOUNDS 509 S456 S459 scie scopus 000291463000103 2-s2.0-79958125677 Chemistry, Physical Materials Science, Multidisciplinary Metallurgy & Metallurgical Engineering Chemistry Materials Science Metallurgy & Metallurgical Engineering Article; Proceedings Paper ZR AMORPHOUS-ALLOYS PERMEATION PROPERTIES MECHANICAL-PROPERTIES LATTICE-DEFECTS TI MEMBRANE SEPARATION NICKEL Amorphous membrane Hydrogen Structural change Molecular dynamics simulation Voronoi analysis