Time–temperature correlations of amorphous thermoplastics at large strains based on molecular dynamics simulations
Wuyang Zhao, Rui Xiao, Paul Steinmann, Sebastian Pfaller
Abstract
In this paper, we investigate the time–temperature correlation of amorphous thermoplastics at large strains based on coarse-grained molecular dynamics simulations. This correlation behavior is characterized by the strain hardening modulus in uniaxial tension simulations at different strain rates across the glass transition region. The temperature regime is divided into a melt zone, a glassy zone, and a transition zone between them, according to the storage modulus calculated from dynamic mechanical analysis (DMA) at small strains. In the melt zone, the existence of time–temperature superposition (TTS) at large strains is verified by constructing a master curve of the hardening modulus. The obtained shift factors are then compared to those from DMA at small strains, showing that the TTS behavior is transferable between small and large strains. In the glassy zone, the effects of time and temperature are not superposable at large strains but still can be correlated. To demonstrate this correlation behavior, we introduce a level set of the hardening modulus with a variable pair of strain rate and temperature. Pairs lying in the same level result in coincident stress–strain curves at large strains. The transferability of the correlation behavior between large and small strains is validated by comparing these stress–strain curves at small strains in the pre-yield region. In the transition zone, the correlation behavior is studied with both aforementioned methods, showing that TTS is applicable to large strains but not transferable to small strains. Finally, we propose a phenomenological constitutive model for uniaxial tension to demonstrate the time–temperature correlation at large strains, considering different constant strain rates and temperatures.