Strain softening and hardening of amorphous polymers: atomistic simulation of bulk mechanics and local dynamics

Lyulin, A. V. and Vorselaars, B. and Mazo, M. A. and Balabaev, N. K. and Michels, M. A. J. (2005) Strain softening and hardening of amorphous polymers: atomistic simulation of bulk mechanics and local dynamics. Europhysics Letters (EPL), 71 (4). pp. 618-624. ISSN 0295-5075

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Item Type:Article
Item Status:Live Archive

Abstract

Molecular-dynamics (MD) simulations have been performed for two amorphous polymers with extremely different mechanical properties, atactic polystyrene (PS) and bisphenol A polycarbonate (PC), in the isotropic state and under load. The glass transition temperatures, Young moduli, yield stresses and strain-hardening moduli are calculated and compared to the experimental data. Both chemistry-specific and mode-coupling aspects of the segmental mobility in the isotropic case and under the uniaxial deformation have been identified. The mobility of the PS segments in the deformation direction is increased drastically beyond the yield point. A weaker increase is observed for PC.

Keywords:Deformation and plasticity, Molecular dynamics, mechanical properties, Glass transition, polystyrene, Bisphenol A Polycarbonate
Subjects:F Physical Sciences > F170 Physical Chemistry
F Physical Sciences > F320 Chemical Physics
F Physical Sciences > F162 Polymer Chemistry
H Engineering > H140 Mechanics
Divisions:College of Science > School of Mathematics and Physics
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ID Code:18237
Deposited On:07 Aug 2015 12:15

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