Phonon dispersion relation of metallic glasses

Abstract

Experimental data on the phase sound speed of metallic glasses show anomalies in the terahertz range, reflecting an underlying complex behavior of their phonon dispersion spectrum not yet explained. We determine the phonon dispersion curve of metallic glasses by means of massive molecular dynamics simulations, allowing us to obtain the low-q region behavior with unprecedented detail. Results confirm that the sound speed is constant below the THz range, down to the macroscopic limit. On the contrary, a hardening of the sound speed, more notable in the transverse case, is found in the THz range. This behavior is modeled in terms of a relaxation model. The model gives quantitative agreement and allows us to determine a new threshold frequency ¿h, at the end of the boson-peak region. Above ¿h the shear modulus increases dramatically, reflecting the end of the amorphous-like acoustic propagation region characterized by the excess density of vibrational states.