Molecular dynamics simulation of the fragile glass former ortho-terphenyl: a flexible molecule model. II. Collective dynamics

Abstract

We present a molecular dynamics study of the collective dynamics of a flexible model for the fragile glass-former orthoterphenyl [ S. Mossa, R. Di leonardo, G. Ruocco, and M. Sampoli, Phys. Rev. E 62, 612 (2000)]. We study the behavior of the coherent scattering functions, considering the density fluctuations of both molecular and phenyl rings centers of mass; moreover we directly simulate the neutron scattering spectra taking into account both the contributions due to the carbon and hydrogens atoms. We compare our results with the main predictions of the Mode Coupling Theory and with the available coherent neutron scattering experimental data.

13 pages, 15 eps figures