Computational Relationship of Deformation Behavior and Materials Strength of Amorphous Alloys to Short-Ranged Local Structures
CuxZr1-x (x=0.30~0.85) binary amorphous alloy models were constructed using molecular dynamics simulations. In order to characterize the short-ranged local structures and the free volume of the whole cell, Voronoi polyhedral analyses were performed for their initial states and also for the deformed states. Both geometrical and physical factors are intimately related to each other and exhibit a large influence on mechanical properties. The elastic properties of shear modulus and bulk modulus tend to increase as the free volume decreases. The Poisson’s ratio, which is related to the glass fragility, increases as the free volume. However, the relation among three elastic properties obtained from the continuous mechanics of the isotropic body does not hold. Also, the maximum stress in the finite deformation drastically decreases with increasing free volume content.
T. Chandra, K. Tsuzaki, M. Militzer , C. Ravindran
Y. Shibutani et al., "Computational Relationship of Deformation Behavior and Materials Strength of Amorphous Alloys to Short-Ranged Local Structures", Materials Science Forum, Vols. 539-543, pp. 1911-1916, 2007