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http://hdl.handle.net/10397/80615
Title: | Molecular dynamics simulation of structural signals of shear-band formation in Zr46Cu46Al8 metallic glasses | Authors: | Feng, SD Chan, KKC Zhao, L Wang, LM Liu, RP |
Issue Date: | 2018 | Source: | Materials, 2018, v. 11, no. 12, 2564 | Abstract: | The evolution from initiation to formation of a shear band in Zr46Cu46Al8 metallic glasses is presented via molecular dynamics simulation. The increase in number and the decrease in average size of clusters with the quasi-nearest atoms being 0 correspond to the shear-band evolution from initiation to formation. When the shear band is completely formed, the distribution of the bond orientational order q6 reaches a minimum. The maximum of the number of the polyhedral loss of Cu-centered < 0, 0, 12, 0 > and the minimum of the number of the polyhedral loss of Zr-centered < 0, 2, 8, 5 > correspond to the shear-band formation. These findings provide a strong foundation for characterizing the evolution from initiation to formation of shear bands. | Keywords: | Metallic glasses Microstructure Molecular dynamic simulation Shear band |
Publisher: | Molecular Diversity Preservation International (MDPI) | Journal: | Materials | EISSN: | 1996-1944 | DOI: | 10.3390/ma11122564 | Rights: | © 2018 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/). The following publication Feng S-D, Chan KKC, Zhao L, Wang L-M, Liu R-P. Molecular Dynamics Simulation of Structural Signals of Shear-Band Formation in Zr46Cu46Al8 Metallic Glasses. Materials. 2018; 11(12):2564 is available at https://doi.org/10.3390/ma11122564 |
Appears in Collections: | Journal/Magazine Article |
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Feng_Molecular_dynamics_simulation.pdf | 1.3 MB | Adobe PDF | View/Open |
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