Rattling of ellipsoidal particles in a three-dimensional system

✍ Scribed by K. Pasterny; A. Bródka

• Publisher: Elsevier Science
• Year: 1995
• Tongue: English
• Weight: 544 KB
• Volume: 236
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(95)00260-b

✦ Synopsis

Molecular dynamics simulations of 256 ellipsoidal particles are carried out for constant temperature and densities corresponding to an isotropic phase of the system. We consider components of the velocity perpendicular to the molecular axis, and the. ~ velocity and velocity-sign autocorrelation functions are analyst.d using a model based on uncorrelated successive velocity reversals. In calculations of the time intervals between successive velocity reversal'; we use two criteria: 'Cartesian coordinate oscillations' and 'right-angle turns'. Our results show that the two criteria are nat equivalent and the model gives a proper description of the velocity-sign correlation functions for the 'coordiaate oscillati,m' criterion only.