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

Publication ,  Journal Article
Huang, Y; Zhao, H; Wang, Y; Ratcliff, T; Breneman, C; Catherine Brinson, L; Chen, W; Schadler, LS
Published in: Journal of Applied Physics
August 14, 2017

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.

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Published In

Journal of Applied Physics

DOI

EISSN

1089-7550

ISSN

0021-8979

Publication Date

August 14, 2017

Volume

122

Issue

6

Related Subject Headings

  • Applied Physics
  • 51 Physical sciences
  • 49 Mathematical sciences
  • 40 Engineering
  • 09 Engineering
  • 02 Physical Sciences
  • 01 Mathematical Sciences
 

Citation

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Huang, Y., Zhao, H., Wang, Y., Ratcliff, T., Breneman, C., Catherine Brinson, L., … Schadler, L. S. (2017). Predicting the breakdown strength and lifetime of nanocomposites using a multi-scale modeling approach. Journal of Applied Physics, 122(6). https://doi.org/10.1063/1.4997720
Huang, Y., H. Zhao, Y. Wang, T. Ratcliff, C. Breneman, L. Catherine Brinson, W. Chen, and L. S. Schadler. “Predicting the breakdown strength and lifetime of nanocomposites using a multi-scale modeling approach.” Journal of Applied Physics 122, no. 6 (August 14, 2017). https://doi.org/10.1063/1.4997720.
Huang Y, Zhao H, Wang Y, Ratcliff T, Breneman C, Catherine Brinson L, et al. Predicting the breakdown strength and lifetime of nanocomposites using a multi-scale modeling approach. Journal of Applied Physics. 2017 Aug 14;122(6).
Huang, Y., et al. “Predicting the breakdown strength and lifetime of nanocomposites using a multi-scale modeling approach.” Journal of Applied Physics, vol. 122, no. 6, Aug. 2017. Scopus, doi:10.1063/1.4997720.
Huang Y, Zhao H, Wang Y, Ratcliff T, Breneman C, Catherine Brinson L, Chen W, Schadler LS. Predicting the breakdown strength and lifetime of nanocomposites using a multi-scale modeling approach. Journal of Applied Physics. 2017 Aug 14;122(6).

Published In

Journal of Applied Physics

DOI

EISSN

1089-7550

ISSN

0021-8979

Publication Date

August 14, 2017

Volume

122

Issue

6

Related Subject Headings

  • Applied Physics
  • 51 Physical sciences
  • 49 Mathematical sciences
  • 40 Engineering
  • 09 Engineering
  • 02 Physical Sciences
  • 01 Mathematical Sciences