Prediction of Incipient Nano-Scale Rupture for Thermosets in Plane Stress

Abstract

There is limited experimental evidence that fracture nucleation in polymers includes a small number of covalent bond scissions followed by rapid void growth by chemo-mechanical processes. Generalized criteria for predicting such bond scission, then, would help anticipate fracture in polymer matrix composites. Strain states at incipient bond scission for thermoset resins in plane stress are here predicted by atomistic simulation. Several cured epoxy systems were examined, each having a different chain length. For biaxial extension and a portion of the shearing regime, scission occurs at a critical value of the larger principal strain. This value increases with increasing chain length. The corresponding dilatation is largest for biaxial extension and decreases to nearly zero for pure shear. Results are compared with strain invariants at fracture measured from experiments in which polymer matrix composites having various ply stacking sequences were loaded to rupture.