Title: Electromechanical peridynamics modeling of piezoresistive response of carbon nanotube nanocomposites

Naveen Prakash and Gary D. Seidel,
Dept. of Aerospace and Ocean Engineering, Virginia Polytechnic Institute and State University, 224-13 Randolph Hall (0203) Blacksburg, VA 24061, USA

Computational Materials Science -- 2016 -- Vol. 113 pp. 154-170

Abstract
In this work, a coupled electromechanical peridynamics formulation is presented which is used to study the electrical and piezoresistive response of a carbon nanotube (CNT) reinforced polymer nanocomposite material. CNT nanocomposites are multiscale materials which have unique piezoresistive properties arising from mechanisms operating from the nanoscale to the macroscale. The origin of piezoresistivity in CNT nanocomposites is a nanoscale phenomenon known as electron hopping or the electrical tunneling effect which allows an electric current to flow between neighboring CNTs even when not in contact, thereby forming a conductive network. A nanoscale representative volume element of a CNT bundle is chosen, i.e. a local region of high CNT volume fraction within the polymer matrix, wherein coupled electromechanical peridynamic equations are solved to evaluate the effective electrical and piezoresistive properties. The peridynamics formulation is used to introduce electron hopping in a unique way, through electron hopping bonds which have a horizon distance and conductivity dictated by the appropriate physics operating at the nanoscale. The effective electromechanical response depends on parameters such as CNT volume fraction, properties of the polymer matrix between CNTs and applied strain which are investigated in detail. Both quasistatic and dynamic loading conditions are considered where the effective electromechanical response is found to depend on variations in the local conductivity of intertube regions.

Key words: Peridynamics; Non-local methods; Polymer nanocomposites; Piezoresistivity; Electron hopping