Mechanism of Strain-Resistance Response of CNT/Polymer Composite Materials for Pavement Strain Self-Sensing Based on the Molecular Dynamics Simulation Method

Embedded and real-time monitoring of pavement mechanical state changes based on the strain detected by self-sensing sensors of polymer/conductive composites is a new way for pavement health monitoring. Strain monitoring, using polymer-based composite mechanosensitive materials, requires the formation of effective conductive networks and conductive channels within the composite material so that the mechanosensitive material is electrically conductive at the macroscopic level. However, the deformation of the pavement structure is much smaller in magnitude, which is about hundreds or even tens of microstrains (10^-6). Therefore, it is especially important to study the strain self-sensing mechanism of conductive composites at the με level. Micro- and nanostructured polymer composites have a complex structure with multiple layers, scales, and interactions, and thus present many difficulties when studying their microscopic conductive mechanisms. In this paper, the all-atom system of the micro-nanostructured composite mechanosensitive materials model was proposed with the help of molecular dynamics simulations. This achieved a breakthrough and realized the systematic study of the microscopic level of the relevant parameters of the composite's conductivity from the molecular point of view to construct a relationship between the microscopic parameters, conductive network, and conductivity. The kinetic models of the micro-nanostructure and resin interface based on the molecular dynamics simulation technology were constructed to explore the dispersion state of the conductive filler, the interfacial interactions between the conductive filler and epoxy resin matrix, and the structural changes in the conductive network within the system under the tension state.