A MOLECULAR-DYNAMICS STUDY OF ATOMIC-LEVEL STRESS DISTRIBUTIONS IN DEFECTIVE INTERMETALLICS

A computer simulation study, using Finnis-Sinclair-type N-body potenti als, of the amorphization of crystalline CuTi2 by electron bombardment was carried out. It was shown that the thermodynamic properties of vo lume and total energy cannot be generally used as criteria for amorphi zation. Instead it was found that, at the completion of amorphization, the magnitude and distribution of the atomic level shear stress was i dentical to that of the glassy state formed by a quench from the liqui d. It is suggested that the atomic level shear stress provides a unive rsal criterion for the attainment of the amorphous state, through glas s transition, alloying, and solid state amorphization.