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We perform molecular dynamics simulations under uniaxial tension to investigate the micromechanisms underlying strain hardening in glassy polymers. By decomposing the stress into virial components associated with pair, bond, and angle interactions, we identify the primary contributors to strain hardening as the stretching of polymer bonds. Interest...
Contexts in source publication
Context 1
... to the decomposition of the virial stress, we assume that the total stress in continuum mechanics comprises the contribution from pair, bonded and an elastic term as represented by the rheological model in Figure 7: ...
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... on the results in Section 3.3 that the bonded stress is merely contributed by the local load-bearing deformation gradient F l , it is reasonable to assume a decomposition of the total deformation into two parts as F = F l F r , where F r is denoted as the resistance part of the deformation gradient. This decomposition corresponds to the illustration of the bonded branch in Figure 7, where F l contributes to σ bonded while the evolution of F r is driven by σ bonded . As the part of chain segments corresponding to F r also has stress caused by bonded interactions, which resists itself to be stretched, the resultant driving force should be the difference between σ bonded and the resistant stress. ...
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... remaining component in the bonded branch in Figure 7 is the expression of the back stress. We write the x component in Equation (9) as ...
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... this section, we synthesize the results obtained in previous sections in a constitutive model as schematically illustrated in Figure 7 to validate the mechanism of local load-bearing deformation that primarily induces strain hardening in glassy polymers. In the pair branch, the conventional Lee-Kröner decomposition of the deformation gradient F = F e F p [10,11] is used while in the bonded branch, the decomposition F = F l F r discussed in Section 3 is assumed. ...
