Predicting the breakdown strength and lifetime of nanocomposites using a multi-scale modeling approach

Published

Journal Article

© 2017 Author(s). It has been found that doping dielectric polymers with a small amount of nanofiller or molecular additive can stabilize the material under a high field and lead to increased breakdown strength and lifetime. Choosing appropriate fillers is critical to optimizing the material performance, but current research largely relies on experimental trial and error. The employment of computer simulations for nanodielectric design is rarely reported. In this work, we propose a multi-scale modeling approach that employs ab initio, Monte Carlo, and continuum scales to predict the breakdown strength and lifetime of polymer nanocomposites based on the charge trapping effect of the nanofillers. The charge transfer, charge energy relaxation, and space charge effects are modeled in respective hierarchical scales by distinctive simulation techniques, and these models are connected together for high fidelity and robustness. The preliminary results show good agreement with the experimental data, suggesting its promise for use in the computer aided material design of high performance dielectrics.

Full Text

Duke Authors

Cited Authors

  • Huang, Y; Zhao, H; Wang, Y; Ratcliff, T; Breneman, C; Catherine Brinson, L; Chen, W; Schadler, LS

Published Date

  • August 14, 2017

Published In

Volume / Issue

  • 122 / 6

Electronic International Standard Serial Number (EISSN)

  • 1089-7550

International Standard Serial Number (ISSN)

  • 0021-8979

Digital Object Identifier (DOI)

  • 10.1063/1.4997720

Citation Source

  • Scopus