Molecular dynamics simulation of the formation mechanism of the thermal conductive filler network of polymer nanocomposites

Abstract

In this work, the thermal transfer capabilities of spherical and laminar/spherical filled polymer nanocomposites (PNCs) were systematically investigated by using molecular dynamics (MD) simulation. The effects of various factors such...

Structure and properties of polymer/two-dimensional nanomaterials studied via molecular dynamics simulation: a review

“…The generation of heat conduction in solids can be caused by the movement of free electrons and phonon diffusion; 76,77 phonons can be regarded as the smallest unit of quantization of periodic lattice vibration. Polymers can be treated as "crystals" composed of very fine grains with only a few lattice spacings, and the directional motion of phonons inside can generate heat flow.…”