We develop and test an embedded-atom model for late transition-metal (Ni, Pd, Pt, and Au)-silicon alloys with Si concentration up to 20 at. %. We exploit the model to simulate by molecular dynamics the quench from high temperature of Ni80Si20, Pd80Si20, Pt80Si20, and Au80Si20 that results in the formation of an amorphous system in the case of the Pd-Si, Pt-Si, and Au-Si alloys. We analyze in detail the glass transition and the variation across it of the viscosity and diffusion coefficient. Moreover, we study the static structure and the elastic and vibrational properties of the low-temperature amorphous alloys. The results show that, despite some quantitative disagreement, the embedded-atom potential reproduces all the major features and trends observed in the experiments, and provides a reliable model for the simulation of these systems.
Embedded-atom model of glass-forming Si-metal alloys
S Rubini
1995
Abstract
We develop and test an embedded-atom model for late transition-metal (Ni, Pd, Pt, and Au)-silicon alloys with Si concentration up to 20 at. %. We exploit the model to simulate by molecular dynamics the quench from high temperature of Ni80Si20, Pd80Si20, Pt80Si20, and Au80Si20 that results in the formation of an amorphous system in the case of the Pd-Si, Pt-Si, and Au-Si alloys. We analyze in detail the glass transition and the variation across it of the viscosity and diffusion coefficient. Moreover, we study the static structure and the elastic and vibrational properties of the low-temperature amorphous alloys. The results show that, despite some quantitative disagreement, the embedded-atom potential reproduces all the major features and trends observed in the experiments, and provides a reliable model for the simulation of these systems.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
