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Effect of nematic ordering on the elasticity and yielding in disordered polymeric solids
Authors:Andrea Giuntoli  Nicola Calonaci  Sebastiano Bernini  Dino Leporini
Affiliation:1. Dipartimento di Fisica “Enrico Fermi”, Università di Pisa, Largo B.Pontecorvo 3, Pisa, Italy;2. Istituto per i Processi Chimico‐Fisici‐Consiglio Nazionale delle Ricerche (IPCF‐CNR), Pisa, Italy
Abstract:The relation between elasticity and yielding is investigated in a model polymer solid by Molecular‐Dynamics simulations. By changing the bending stiffness of the chain and the bond length, semicrystalline and disordered glassy polymers — both with bond disorder — as well as nematic glassy polymers with bond ordering are obtained. It is found that in systems with bond disorder the ratio τY/G between the shear yield strength τY and the shear modulus G is close to the universal value of the atomic metallic glasses. The increase of the local nematic order in glasses leads to the increase of the shear modulus and the decrease of the shear yield strength, as observed in experiments on nematic thermosets. A tentative explanation of the subsequent reduction of the ratio τY/G in terms of the distributions of the per‐monomer stress is offered. © 2017 Wiley Periodicals, Inc. J. Polym. Sci. Part B: Polym. Phys. 2017 , 55, 1760–1769
Keywords:elasticity  yield  polymer glass  nematic glass  molecular‐dynamics simulation
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