Predicting the breakdown strength and lifetime of nanocomposites using a multi-scale modeling approach
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.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Aug 08, 2017
- Source ID
- 10.1063/1.4997720
Entities
People
- Curt Breneman
- He Zhao
- L. Catherine Brinson
- Linda Schadler
- Tyree Ratcliff
- Wei Chen
- Yanhui Huang
- Yixing Wang
Organizations
- National Science Foundation
- Northwestern University
- Office of Naval Research
- Rensselaer Polytechnic Institute