The formation of soliton-type nonlinear excitations during heat transfer in a crystalline poly(ethylene) chain

It was shown by analytical calculations and molecular dynamics simulations that the process of heat transfer in a macromolecular chain of crystalline poly(ethylene) is related to the propagation of localized nonlinear soliton -type excitations. In this case, molecular mobility and heat transfer are d ue to both the long-wave solitons of stretching and the short-wave envelope solitons. The characteristics of the solitons of both types were calculate d and their contribution to the thermal energy was determined for the two-d imensional and three-dimensional models of a macromolecular chain.