The rigidity transition in polymer melts with van der Waals interactions

Details The rigidity transition in polymer melts with van der Waals interactions The rigidity transition in polymer melts with van der Waals interactions

2004-02-13

arxiv.org/abs/cond-mat/0402378v2

Physics

Condensed Matter

Soft Condensed Matter

8 pages, 11 figures

Scientific paper

10.1103/PhysRevE.70.041501

We study the onset of rigidity near the glass transition (GT) in a short-chain polymer melt modelled by a bead-spring model, where all beads interact with Lennard-Jones potentials. The properties of the system are examined above and below the GT. In order to minimize high cooling-rate effects and computational times, equilibrium configurations are reached via isothermal compression. We monitor quantities such as the heat capacity C_P, the short-time diffusion constants D, the viscosity \eta, and the shear modulus; the time-dependent shear modulus G(t) is compared with the shear modulus \mu obtained from an externally applied instantaneous shear. We give a detailed analysis of the effects of such shearing on the system, both locally and globally. It is found that the polymeric glass only displays long-time rigid behavior below a temperature T_1, where T_1

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