Abstract
Using multiphysics simulations and experiments, we demonstrate that dielectric breakdown due to electric charge accumulation can lead to sufficient hotspot development leading to the initiation of chemical reactions in P(VDF-TrFE)/nAl films comprising a poly(vinylidene fluoride-co-trifluoroethylene) binder and nano-aluminum particles. The electric field (E-field) development in the material is driven by the flexoelectric and piezoelectric responses of the polymer binder to mechanical loading. A two-step sequential multi-timescale and multi-physics framework for explicit microscale computational simulations of experiments is developed and used. First, the mechanically driven E-field development is analyzed using a fully coupled mechanical–electrostatic model over the microsecond timescale. Subsequently, the transient dielectric breakdown process is analyzed using a thermal–electrodynamic model over the nanosecond timescale. The temperature field resulting from the breakdown is analyzed to establish the hotspot conditions for the onset of self-sustained chemical reactions. The results demonstrate that temperatures well above the ignition temperatures can be generated. Both experiments and analyses show that flexoelectricity plays a primary role and piezoelectricity plays a secondary role. In particular, the time to ignition and the time to pre-ignition reactions of poled films (possessing both piezoelectricity and flexoelectricity) are ∼10% shorter than those of unpoled films (possessing only flexoelectricity).
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