The influence of short-range structures on atomic caging in glass-forming Cu-Zr-Al melts

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dc.contributor.authorWong, KKen_AU
dc.contributor.authorKan, HWen_AU
dc.contributor.authorMole, RAen_AU
dc.contributor.authorYu, DHen_AU
dc.contributor.authorChathoth, SMen_AU
dc.date.accessioned2025-04-04T00:48:17Zen_AU
dc.date.available2025-04-04T00:48:17Zen_AU
dc.date.issued2018-11en_AU
dc.date.statistics2024-10-02en_AU
dc.description.abstractAtomic caging is an important dynamic process that influences liquid vitrification. In this article, we have studied bulk glass-forming copper-zirconium-aluminum (Cu-Zr-Al) systems using quasielastic neutron scattering and molecular dynamics simulation in order to understand the influence of short-range structures on atomic caging. We found that, in Cu-Zr-Al melts, the long range atomic transport process occurs via a jump diffusion process, and temperature dependence of the atomic diffusion process is non-Arrhenius. Furthermore, the Cu diffusion coefficient at a given temperature decreases with Al addition. Inherent structures obtained from molecular dynamic simulation trajectories show that the dominant short range structures above the melting temperature of these melts are 〈0,3,6,4〉 and 〈0,2,8,2〉 and the percentage of these structure increases with decreasing temperature. The residence time of the atoms in the cage was found to be directly correlated with the number of dominant short-range structures in these melts. Our results show that transient local short-range structures have a strong influence on atomic caging in the glass-forming metallic melts. © 2018 Elsevier Ltd.en_AU
dc.description.sponsorshipThis research has been supported by City University Strategic Research Grant, No: 7004968. The authors thank the Australian Center for Neutron Scattering, ANSTO, Sydney, Australia for providing beam time on the Pelican instrument.en_AU
dc.identifier.citationWong, K., Kan, H. W., Mole, R., Yu, D., & Chathoth, S. M. (2018). The influence of short-range structures on atomic caging in glass-forming Cu-Zr-Al melts. Intermetallics, 102, 114-119. doi:10.1016/j.intermet.2018.09.009en_AU
dc.identifier.issn0966-9795en_AU
dc.identifier.journaltitleIntermetallicsen_AU
dc.identifier.pagination114-119en_AU
dc.identifier.urihttps://doi.org/10.1016/j.intermet.2018.09.009en_AU
dc.identifier.urihttps://apo.ansto.gov.au/handle/10238/16124en_AU
dc.identifier.volume102en_AU
dc.languageEnglishen_AU
dc.language.isoenen_AU
dc.publisherElsevieren_AU
dc.subjectAluminiumen_AU
dc.subjectZirconiumen_AU
dc.subjectCopperen_AU
dc.subjectGlassen_AU
dc.subjectDiffusionen_AU
dc.subjectMolecular dynamics methoden_AU
dc.subjectNeutronsen_AU
dc.subjectScatteringen_AU
dc.subjectTemperature rangeen_AU
dc.subjectMeltingen_AU
dc.titleThe influence of short-range structures on atomic caging in glass-forming Cu-Zr-Al meltsen_AU
dc.typeJournal Articleen_AU
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