1206.4118 (Tianqi Shen et al.)

Rods are less fragile than spheres: Structural relaxation in dense
liquids composed of anisotropic particles    [PDF]

Tianqi Shen, Carl Schreck, Bulbul Chakraborty, Denise E. Freed, Corey S. O'Hern

We perform extensive molecular dynamics simulations of dense liquids composed of bidisperse dimer- and ellipse-shaped particles in 2D that interact via repulsive contact forces. We measure the structural relaxation times obtained from the long-time decay of the self-part of the intermediate scattering function for the translational and rotational degrees of freedom (DOF) as a function of packing fraction \phi, temperature T, and aspect ratio \alpha. We are able to collapse the \phi and T-dependent structural relaxation times for disks, and dimers and ellipses over a wide range of \alpha, onto a universal scaling function {\cal F}_{\pm}(|\phi-\phi_0|,T,\alpha), which is similar to that employed in previous studies of dense liquids composed of purely repulsive spherical particles in 3D. {\cal F_{\pm}} for both the translational and rotational DOF are characterized by the \alpha-dependent scaling exponents \mu and \delta and packing fraction \phi_0(\alpha) that signals the crossover in the scaling form {\cal F}_{\pm} from hard-particle dynamics to super-Arrhenius behavior for each aspect ratio. We find that the fragility at \phi_0, m(\phi_0), decreases monotonically with increasing aspect ratio for both ellipses and dimers. Moreover, the results for the slow dynamics of dense liquids composed of dimer- and ellipse-shaped particles are qualitatively the same, despite the fact that zero-temperature static packings of dimers are isostatic, while static packings of ellipses are hypostatic.

View original: http://arxiv.org/abs/1206.4118