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

Yanhui Huang*, He Zhao, Yixing Wang, Tyree Ratcliff, Curt Breneman, L. Catherine Brinson, Wei Chen, Linda S. Schadler

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

8 Scopus citations

Abstract

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.

Original languageEnglish (US)
Article number065101
JournalJournal of Applied Physics
Volume122
Issue number6
DOIs
StatePublished - Aug 14 2017

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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