Please use this identifier to cite or link to this item:
|Title:||A molecular dynamics simulation study of solid-like and liquid-like networks in Zr 46 Cu 46 Al 8 metallic glass||Authors:||Tang, Cheng
Wong, Chee How
Atomic Level Structure
|Issue Date:||2015||Source:||Tang, C., & Wong, C. (2015). A molecular dynamics simulation study of solid-like and liquid-like networks in Zr 46 Cu 46 Al 8 metallic glass. Journal of Non-Crystalline Solids, 422, 39-45.||Series/Report no.:||Journal of Non-Crystalline Solids||Abstract:||Classic molecular dynamics simulations were carried out to monitor the solid and liquid-like regions in Zr46Cu46Al8 metallic glass. Based on Voronoi tessellation analysis, this work illustrates that the medium range networks are related to the local fivefold symmetry. Not only atoms with high degree of local fivefold symmetry (Kasper polyhedra) form percolated networks, but also atoms with low degree of fivefold symmetry tend to build up interconnected superclusters. In addition, strong avoidance is observed between these two kinds of atoms. Such spatial heterogeneity is analyzed in terms of its dependence on atomic level stress. Starting from the networks formed by these two kinds of atoms, they are respectively assumed to be solid and liquid-like regions. Our quantitative monitoring of von Mises shear strain suggests that liquid-like networks are fertile sites for plastic deformation, while the backbones formed by atoms with high degree of fivefold symmetry are resistant to shear events. Such investigations on solid and liquid-like regions have implications for the structural and mechanical heterogeneity reported in metallic glasses.||URI:||https://hdl.handle.net/10356/88212
|ISSN:||0022-3093||DOI:||http://dx.doi.org/10.1016/j.jnoncrysol.2015.05.003||Rights:||© 2015 Elsevier B.V.||metadata.item.grantfulltext:||none||metadata.item.fulltext:||No Fulltext|
|Appears in Collections:||MAE Journal Articles|
Items in DR-NTU are protected by copyright, with all rights reserved, unless otherwise indicated.