Dresden 2011 – wissenschaftliches Programm
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MM: Fachverband Metall- und Materialphysik
MM 15: Computational Materials Modelling IV
MM 15.7: Vortrag
Dienstag, 15. März 2011, 12:30–12:45, IFW B
Effect of uniaxial loading on the structural anisotropy and the dynamics of atoms of Cu-Zr metallic glasses within the elastic regime studied by molecular dynamic simulation — •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 changes in the structure and the dynamics of atoms and the stress-induced structural anisotropy of a Cu50Zr50 metallic glass upon the application of uniaxial compressive and tensile stresses within the elastic regime during the loading and unloading processes have been studied using molecular dynamic simulation. It is found that the structural change is more significant under tension than under compression, which is accompanied with the destruction of the full icosahedra clusters into distorted ones. Permanent structural change is found at the applied tensile stress of 1000 MPa but still within the elastic regime. The structural anisotropy increases monotonously with the applied stress, being more pronounced along the loading direction than the other two free directions. The results of the mean square displacement, the non-gaussian parameter and the mobile atom analysis suggest that the dynamics of the atoms is distinctly different under uniaxial stresses above 800 MPa. The permanent change in the structure and structural anisotropy can be correlated with the change in the dynamics of the atoms.