纳米掺杂复合材料的特殊介电性能模拟

Simulation of special dielectric properties of nano-filled composites

基于双势阱模型,利用蒙特卡罗随机模拟法,采用偶极子系统不同构成方式研究了以高分子聚合物为基料、纳米颗粒掺杂所形成的复合材料的特殊介电性能,即剩余极化和快松弛现象。研究表明:偶极子系统可以模拟不同电介质材料的微观构成,其对外加激励的响应能反映所研究材料的介电特性,而系统趋于稳定的迭代过程可以表征材料在外电场中的极化松弛速率。本文的模拟结果与文献报道一致,该方法为研究材料介电特性提供了一种简便有效的技术手段,并可作为实验室开发具有特殊性能新型介质材料的辅助工具。

Based on the double well potential theory and Monte Carlo random simulation method, the special dielectric properties, namely the residual polarization and fast relaxation phenomena, of polymeric composites filled with nanoparticles are simulated using the dipole system of different constitutions. It is shown that the dipole system can simulate different microscopic constitutions of dielectric materials, and its response to applied stimulus can characterize dielectric properties of materials, and the iteration time needed for the system to stabilize can represent the polarization relaxation velocity of dielectrics under the electrical field. This simulation method is simple and effective for material property research, and it may help developing new materials with special properties.