Local atomic environment and shear banding in metallic glasses
Autor: | Roberto G.A. Veiga, Marcela Tercini, Alejandro Zúñiga |
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Rok vydání: | 2018 |
Předmět: |
010302 applied physics
Spatial correlation Materials science Amorphous metal General Computer Science General Physics and Astronomy 02 engineering and technology General Chemistry Strain rate 021001 nanoscience & nanotechnology 01 natural sciences Computational Mathematics Molecular dynamics Structural change Shear (geology) Mechanics of Materials 0103 physical sciences Shear stress General Materials Science Composite material 0210 nano-technology Voronoi diagram |
Zdroj: | Computational Materials Science. 155:129-135 |
ISSN: | 0927-0256 |
Popis: | In this work we studied the compression behavior of a Cu45Zr45Al10 metallic glass and the relationship between the local atomic environment and shear banding using molecular dynamics. The Cu45Zr45Al10 metallic glass was first produced using the quenching technique and then deformed in compression for up to 20% at a strain rate of 108 s−1. Both the compression stress-strain curve and analysis of the local shear strain show that shear banding is initiated at approximately 5%, while Voronoi analyses indicate that the most significant structural change as a function of compression strain is a decrease in the amount of Cu-centered 〈 0 , 0 , 12 , 0 , 0 〉 icosahedra. Additionally, we propose a novel quantitative tool for characterizing the local atomic environment in the metallic glass: the local density of atoms that satisfy a given condition. By using this tool for three different conditions we observed a strong spatial correlation between shear banding and the distribution of distorted Cu-centered 〈 0 , 0 , 12 , 0 , 0 〉 icosahedra. |
Databáze: | OpenAIRE |
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