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We deform, in pure shear, a thin sample of Cu50Zr50 metallic glass using a molec- ular dynamics simulation up to, and including, failure. The experiment is repeated ten times in order to have average values and standard deviations. Although failure occurs at the same value of the externally imposed strain for the ten samples, there is signicant sample-to-sample variation in the specic microscopic material behav- ior. Failure can occur along one, two, or three planes, located at the boundaries of previously formed shear bands. These shear bands form shortly before failure. However, well before their formation and at external strains where plastic defor- mation just begins to be significant, non-affine displacement organizes itself along localized bands. The shear bands subsequently form at the edges of these non-affine-displacement-bands, and present an alternating rotation-quadrupole structure, as found previously by Sopu et al.  in the case of a notched sample loaded in tension. The thickness of shear bands is roughly determined by the available plastic energy. The onset of shear banding is accompanied by a sharp increase in the rate of change of the rotation angle localization, the strain localization, and the non-affine square displacement.
This article was published in the following journal.
Name: Journal of physics. Condensed matter : an Institute of Physics journal
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A computer simulation technique that is used to model the interaction between two molecules. Typically the docking simulation measures the interactions of a small molecule or ligand with a part of a larger molecule such as a protein.
A computer simulation developed to study the motion of molecules over a period of time.
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