Direct atomic-scale evidence for shear-dilatation correlation in metallic glasses

Direct atomic-scale evidence is presented for the shear-dilatation correlation in metallic glasses via molecular dynamics and first-principles calculations. A quantitative parabolic relationship is established between the atomic local shear and hydrostatic volumetric strains by carrying out statistical analysis on a deformed glass model. The correction is further verified by density functional theory. Our atomistic demonstration of shear-dilatation correlation collaborates with the experimentally observed a few percent volume change in shear bands. It brings quantitative insights into the unique correlation between shear transformation and cavitation in metallic glasses. (C) 2015 Elsevier Ltd. All rights reserved.