Berlin 2012 – scientific programme
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MM: Fachverband Metall- und Materialphysik
MM 54: Computational Materials Modelling VIII - Mechanical Properties and Strain
MM 54.6: Talk
Thursday, March 29, 2012, 17:00–17:15, TC 006
Study of structural anisotropy in Cu50Zr45Al5 metallic glass under uniaxial loading by molecular dynamics simulations — •Yue Zhang1, Norbert Mattern1, and Jürgen Eckert1,2 — 1IFW Dresden, Institute for Complex Materials, Helmholtzstr. 20, D-01069 Dresden, Germany — 2TU Dresden, Institute of Materials Science, D-01062 Dresden, Germany
The structural anisotropy in Cu50Zr45Al5 metallic glass under uniaxial loading from zero up to 1200 MPa was studied by molecular dynamics simulations. The anelastic strain is found to be negligibly small below 600 MPa whereas it increases with the simulation time from 600 to 1200 MPa. The degree of structural anisotropy and the atomic structure were characterized using a second order fabric tensor and Voronoi tessellation, respectively. Structural analysis indicates that the anelastic deformation occurs via the destruction of clusters with high geometric symmetry. Comparing with our previous results, the degree of anisotropy in Cu50Zr45Al5 MG is about 20-30% lower than that in Cu-Zr MGs under similar loading conditions. It indicates that the covalent bonding around Al atoms tends to stabilize the local structure against anelastic deformation in Cu50Zr45Al5 metallic glass. Finally, the relation between the anelastic strain and shear transformation zones (STZs) is discussed.